data_6sjx_residue ############################ # Computer software used # ############################ 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 6sjx _Structure_validation_residue.Date_analyzed 2020-02-21 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 ' 0' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.19 31.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -163.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.74 131.46 49.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.844 2.057 . . . . 0.0 108.154 170.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.65 160.57 39.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.812 1.245 . . . . 0.0 113.798 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -115.14 140.57 48.96 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.225 1.81 . . . . 0.0 110.184 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -80.71 103.68 10.71 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.165 0.986 . . . . 0.0 109.566 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.54 -25.55 22.47 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -109.75 6.26 23.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 114.068 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.74 27.76 34.03 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 117.237 1.655 . . . . 0.0 117.237 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -129.58 22.78 5.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.661 1.731 . . . . 0.0 114.392 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.81 155.12 31.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 127.266 2.365 . . . . 0.0 114.055 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mt -76.09 125.59 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 121.515 -0.991 . . . . 0.0 108.829 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.27 150.6 49.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 112.865 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -137.27 157.32 46.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.933 2.093 . . . . 0.0 112.051 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.32 165.37 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.869 2.068 . . . . 0.0 111.572 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.492 0 O-C-N 121.274 -0.891 . . . . 0.0 111.646 161.509 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 113.674 0.23 . . . . 0.0 113.674 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -154.88 171.26 19.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.5 1.12 . . . . 0.0 112.909 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.78 123.15 25.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 124.828 1.251 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.5 p -71.89 140.34 49.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.476 0.71 . . . . 0.0 112.124 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -13.5 12.21 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -155.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.91 -24.02 67.4 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.72 1.145 . . . . 0.0 113.005 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.24 172.26 6.94 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.453 2.301 . . . . 0.0 112.547 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.43 156.5 27.02 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 115.19 0.836 . . . . 0.0 115.19 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.86 141.15 29.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.012 2.125 . . . . 0.0 110.262 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -85.38 127.09 34.24 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 123.74 0.816 . . . . 0.0 110.43 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.24 162.55 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.232 1.413 . . . . 0.0 112.989 -171.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -154.69 129.17 9.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.496 1.518 . . . . 0.0 110.123 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -71.87 114.61 10.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.021 0.439 . . . . 0.0 109.942 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -149.53 -19.73 0.28 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.22 154.27 31.44 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.136 1.374 . . . . 0.0 113.484 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.56 -17.42 62.26 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.2 -14.1 57.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 119.763 1.781 . . . . 0.0 113.912 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -84.65 -16.63 41.25 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.279 1.831 . . . . 0.0 112.665 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.72 139.09 37.45 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.08 1.352 . . . . 0.0 108.719 157.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.93 143.06 41.86 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.594 0.711 . . . . 0.0 111.104 163.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.1 176.11 22.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 125.814 1.674 . . . . 0.0 109.921 -165.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.45 -1.43 10.78 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.524 1.662 . . . . 0.0 115.476 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -102.8 9.27 39.09 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 126.177 1.791 . . . . 0.0 113.094 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 125.453 1.501 . . . . 0.0 112.248 165.131 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -19.21 65.53 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.2 65.36 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.51 -24.59 61.99 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.043 0.838 . . . . 0.0 112.42 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.27 -18.74 64.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.643 1.11 . . . . 0.0 113.441 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -70.99 -17.89 62.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.261 1.024 . . . . 0.0 113.258 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.8 mt -94.36 -12.17 28.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.575 1.55 . . . . 0.0 113.839 -169.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.26 128.52 36.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.15 0.886 . . . . 0.0 109.895 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -89.73 -36.23 15.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -106.51 -15.06 14.89 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.094 1.358 . . . . 0.0 114.1 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.09 33.56 26.11 Favored Glycine 0 C--O 1.221 -0.688 0 CA-C-N 119.903 1.229 . . . . 0.0 114.2 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -84.48 -12.92 53.37 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.304 1.052 . . . . 0.0 112.307 168.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.317 5.9 t30 68.27 29.72 5.88 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 128.353 2.661 . . . . 0.0 115.854 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.2 pt -128.07 144.92 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 124.414 1.086 . . . . 0.0 111.518 161.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 104.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -135.38 173.15 12.04 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.597 1.159 . . . . 0.0 111.845 -172.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.39 9.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.5 -17.36 45.4 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.384 -1.448 . . . . 0.0 114.61 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -78.14 136.96 37.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 120.758 1.617 . . . . 0.0 113.363 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.05 80.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.025 -1.047 . . . . 0.0 113.313 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.1 65.12 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -59.71 -34.94 73.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 119.409 1.004 . . . . 0.0 112.258 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.75 -23.4 39.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.835 0.854 . . . . 0.0 112.881 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m -82.64 -30.18 29.56 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.949 1.3 . . . . 0.0 114.173 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.33 147.0 53.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.625 1.17 . . . . 0.0 110.933 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -141.87 166.83 23.66 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.738 1.615 . . . . 0.0 111.009 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.1 t -122.44 140.72 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.876 1.27 . . . . 0.0 109.695 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -117.84 130.35 56.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -129.73 109.22 10.79 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.765 1.626 . . . . 0.0 110.904 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -104.05 119.21 38.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.456 1.103 . . . . 0.0 110.586 -175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.7 mt -88.14 -12.58 43.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.143 1.777 . . . . 0.0 113.08 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -113.82 -13.2 12.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.205 1.402 . . . . 0.0 113.38 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 55.64 38.04 29.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.021 2.129 . . . . 0.0 115.253 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.87 -3.97 58.89 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 114.656 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.47 -13.15 29.76 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.145 1.355 . . . . 0.0 115.413 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.6 mm -90.34 136.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.326 1.063 . . . . 0.0 108.915 169.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -95.14 123.3 38.56 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.66 1.184 . . . . 0.0 110.171 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -112.09 158.32 19.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.691 1.596 . . . . 0.0 111.546 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.3 70.35 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -68.72 -19.0 64.34 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.86 -5.35 58.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.594 1.558 . . . . 0.0 113.016 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.51 150.72 23.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.113 1.765 . . . . 0.0 112.922 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -135.98 135.37 39.48 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.498 2.319 . . . . 0.0 111.063 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.4 p -76.65 159.41 30.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.733 0.697 . . . . 0.0 111.102 162.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.39 -36.78 85.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.259 -0.9 . . . . 0.0 112.409 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -69.47 -40.01 77.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.403 0.681 . . . . 0.0 112.07 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.37 -21.42 63.8 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 tp -94.01 3.34 55.48 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.255 1.822 . . . . 0.0 113.314 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 24.86 74.21 Favored Glycine 0 C--N 1.335 0.485 0 O-C-N 120.817 -1.177 . . . . 0.0 114.537 176.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -84.67 141.22 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 124.92 1.288 . . . . 0.0 109.105 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.22 -39.65 3.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.844 1.258 . . . . 0.0 113.0 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 p -157.25 156.73 33.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -114.98 138.67 50.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.541 1.936 . . . . 0.0 109.367 169.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -85.8 133.88 33.96 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.458 0.703 . . . . 0.0 112.591 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.13 41.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.876 1.271 . . . . 0.0 111.958 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.36 127.75 22.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.474 1.509 . . . . 0.0 111.128 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -142.6 161.67 37.46 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.605 1.562 . . . . 0.0 113.747 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -121.74 144.71 48.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.749 2.019 . . . . 0.0 110.718 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.53 125.84 29.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.377 1.071 . . . . 0.0 111.263 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.91 -26.42 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 m120 47.15 41.42 11.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.431 1.893 . . . . 0.0 114.462 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -96.39 138.46 33.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.734 2.014 . . . . 0.0 110.864 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -74.13 146.24 43.69 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 111.071 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.04 5.82 12.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.41 1.484 . . . . 0.0 113.378 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.17 165.05 22.97 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 124.944 1.259 . . . . 0.0 114.446 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 50.24 28.54 3.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 114.357 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.63 8.73 85.67 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 125.195 1.379 . . . . 0.0 115.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.98 155.22 16.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.264 1.532 . . . . 0.0 111.915 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.9 m -138.61 146.02 41.25 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.165 1.386 . . . . 0.0 111.518 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 tp -107.28 109.56 21.36 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 127.247 2.219 . . . . 0.0 108.912 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.58 6.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.935 -0.478 . . . . 0.0 112.031 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -141.83 143.27 33.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.632 1.573 . . . . 0.0 110.139 -165.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -135.06 128.71 32.78 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.897 0.879 . . . . 0.0 112.311 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -123.43 -153.02 8.61 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 127.583 2.516 . . . . 0.0 111.878 167.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.3 p -148.96 155.27 40.59 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -162.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -143.89 159.46 42.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.048 1.339 . . . . 0.0 113.349 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.6 m -115.27 135.57 54.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.43 1.892 . . . . 0.0 111.313 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.39 153.58 17.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 126.47 1.908 . . . . 0.0 111.677 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.7 p -59.37 -31.89 69.63 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.569 1.147 . . . . 0.0 112.927 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -72.86 3.0 5.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.627 1.571 . . . . 0.0 114.908 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.74 5.58 87.98 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.29 1.424 . . . . 0.0 116.042 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 26.0 m -83.01 146.2 28.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.258 1.023 . . . . 0.0 110.925 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 p -118.64 144.67 46.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.798 1.239 . . . . 0.0 112.767 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.64 169.18 22.77 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 113.763 -171.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -85.17 148.5 26.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 113.022 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.9 ptm -142.11 153.85 44.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.618 1.167 . . . . 0.0 110.066 166.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.8 167.49 40.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -93.64 127.07 39.15 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.779 2.031 . . . . 0.0 111.386 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.12 150.9 42.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.994 1.717 . . . . 0.0 112.079 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -110.86 126.4 54.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.49 1.116 . . . . 0.0 108.021 160.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 CA--C 1.521 -0.152 0 C-N-CA 124.508 1.123 . . . . 0.0 111.142 -179.404 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.97 14.69 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -166.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.84 112.56 14.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.281 1.832 . . . . 0.0 109.503 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.85 150.88 36.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.185 0.994 . . . . 0.0 113.144 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -114.36 134.72 54.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 126.005 1.722 . . . . 0.0 109.59 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.03 108.53 7.83 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 163.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.0 -9.97 49.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.144 -0.972 . . . . 0.0 113.613 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -110.68 -20.73 12.41 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -170.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.25 36.95 6.84 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-O 119.286 -0.73 . . . . 0.0 114.118 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -145.36 26.63 1.3 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.113 1.365 . . . . 0.0 113.864 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 161.05 26.23 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 125.095 1.331 . . . . 0.0 114.299 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.77 132.83 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.268 1.027 . . . . 0.0 110.549 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -137.28 157.48 46.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.9 p -132.25 159.98 37.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.983 1.313 . . . . 0.0 113.57 -164.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 m -134.54 162.25 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 128.703 2.801 . . . . 0.0 110.623 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 O-C-N 121.058 -1.026 . . . . 0.0 112.242 177.286 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.48 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -152.58 171.99 17.29 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.96 2.104 . . . . 0.0 110.311 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 m -75.29 147.06 8.54 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 O-C-N 120.112 -1.617 . . . . 0.0 112.8 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -61.87 154.13 27.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.091 0.957 . . . . 0.0 112.102 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -10.92 45.71 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 120.68 -1.263 . . . . 0.0 113.303 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.3 -21.83 64.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.444 1.497 . . . . 0.0 113.255 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -128.08 -172.24 2.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.406 3.082 . . . . 0.0 112.411 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.79 168.28 37.57 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 120.187 -1.57 . . . . 0.0 114.935 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.46 145.29 30.49 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.725 1.61 . . . . 0.0 112.608 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -82.42 128.74 34.54 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.865 0.866 . . . . 0.0 111.309 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.81 160.41 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 125.12 1.368 . . . . 0.0 113.931 -168.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -153.96 138.81 17.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.133 2.173 . . . . 0.0 111.194 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.7 128.25 33.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 122.007 -0.433 . . . . 0.0 111.577 174.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.63 -8.1 1.1 Allowed 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -119.66 150.08 40.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.766 1.226 . . . . 0.0 111.934 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.14 -27.95 60.71 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 124.554 1.073 . . . . 0.0 115.769 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.44 -16.3 62.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.4 -16.12 53.12 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.083 1.353 . . . . 0.0 112.848 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.7 mt -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.245 -0.909 . . . . 0.0 111.363 160.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -70.34 127.2 31.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 154.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.41 -179.48 38.5 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.671 1.605 . . . . 0.0 110.649 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.16 1.35 7.68 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.431 1.616 . . . . 0.0 115.266 -174.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 3.7 35.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.02 1.728 . . . . 0.0 112.541 168.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.443 -0.778 0 O-C-N 120.315 -1.49 . . . . 0.0 112.617 -177.215 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.1 75.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.174 -0.954 . . . . 0.0 112.747 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.16 -32.14 73.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -71.32 -38.93 71.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 118.843 0.747 . . . . 0.0 111.733 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.41 68.03 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -71.85 -3.29 21.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.87 0.43 46.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.466 1.506 . . . . 0.0 114.924 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.08 122.72 25.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 118.787 0.721 . . . . 0.0 111.484 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -83.45 -37.41 23.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -109.32 -16.68 13.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.707 1.603 . . . . 0.0 115.311 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.22 27.54 27.76 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.96 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -84.04 -2.54 56.87 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.35 1.575 . . . . 0.0 113.015 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 t30 65.68 24.54 11.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.339 1.856 . . . . 0.0 114.933 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.3 pt -133.52 155.34 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 125.522 1.529 . . . . 0.0 112.148 167.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.49 112.31 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 124.959 1.304 . . . . 0.0 108.503 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -141.65 172.84 12.14 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.572 1.949 . . . . 0.0 111.729 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.92 -15.55 22.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.987 2.217 . . . . 0.0 116.987 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.66 -16.21 45.95 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.685 1.194 . . . . 0.0 114.127 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.58 132.21 38.2 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.596 1.158 . . . . 0.0 110.784 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.88 76.48 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.654 -1.279 . . . . 0.0 113.923 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.11 66.49 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.38 -34.44 61.24 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.508 1.123 . . . . 0.0 113.064 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.81 -30.78 71.07 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.332 1.453 . . . . 0.0 113.569 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -92.46 -14.35 28.62 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.824 1.649 . . . . 0.0 113.612 -173.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.29 143.99 57.48 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 111.541 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.7 168.47 19.22 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.928 1.691 . . . . 0.0 109.677 166.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.7 t -118.63 135.2 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 124.771 1.228 . . . . 0.0 109.426 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -109.09 124.59 51.03 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.32 1.048 . . . . 0.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -123.85 99.55 6.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.914 1.286 . . . . 0.0 110.427 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -93.66 129.0 40.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.722 0.809 . . . . 0.0 112.418 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.5 mt -88.68 -22.9 23.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.462 1.505 . . . . 0.0 114.984 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -114.27 -8.29 12.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.353 1.461 . . . . 0.0 114.692 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 54.53 36.09 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.837 2.055 . . . . 0.0 114.467 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.72 5.64 31.3 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -173.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.95 5.86 88.92 Favored Glycine 0 N--CA 1.445 -0.743 0 O-C-N 120.608 -1.307 . . . . 0.0 115.754 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.4 tt -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 119.788 1.794 . . . . 0.0 111.156 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.0 p -107.88 162.03 14.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.519 1.128 . . . . 0.0 113.664 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 168.72 19.1 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.906 2.082 . . . . 0.0 109.487 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.47 67.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.19 -21.15 62.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -95.12 -17.85 21.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.358 1.063 . . . . 0.0 113.191 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.36 123.33 45.27 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.297 1.439 . . . . 0.0 110.706 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -125.63 152.94 44.51 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.569 1.547 . . . . 0.0 112.493 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.1 p -82.17 159.05 23.39 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.625 1.17 . . . . 0.0 112.57 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.37 -33.71 76.49 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.247 -0.908 . . . . 0.0 111.058 168.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.57 -46.91 88.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.84 1.256 . . . . 0.0 113.418 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.48 -17.27 58.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 119.423 1.01 . . . . 0.0 113.331 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.46 -4.51 58.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.88 1.272 . . . . 0.0 112.779 165.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.54 75.87 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 125.368 1.461 . . . . 0.0 115.06 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.81 127.78 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 119.109 1.455 . . . . 0.0 109.972 -173.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.95 -36.27 9.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.577 1.551 . . . . 0.0 112.686 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.9 p -157.56 162.55 38.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt -112.79 139.25 48.57 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.828 1.651 . . . . 0.0 110.338 168.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.75 153.37 40.04 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 118.809 0.731 . . . . 0.0 112.794 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.6 mt -105.62 -8.11 18.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.17 134.14 35.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.253 0.621 . . . . 0.0 111.506 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.32 161.82 41.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 111.788 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -137.33 148.22 46.15 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 112.091 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.06 132.3 52.42 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.887 1.275 . . . . 0.0 111.906 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.66 -25.1 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 114.128 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 m120 47.14 43.03 13.95 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.492 1.917 . . . . 0.0 115.308 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -83.34 133.44 34.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.628 1.971 . . . . 0.0 112.281 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -76.32 132.46 39.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.572 0.749 . . . . 0.0 111.244 167.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -106.54 -1.72 22.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.5 1.52 . . . . 0.0 113.705 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.87 163.27 38.54 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 126.571 2.034 . . . . 0.0 114.657 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.6 t30 57.35 17.24 3.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.067 1.747 . . . . 0.0 115.583 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.63 4.29 57.09 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 126.348 1.928 . . . . 0.0 115.739 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -93.97 146.83 23.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.907 1.353 . . . . 0.0 111.599 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -140.73 140.58 34.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.7 1.2 . . . . 0.0 111.277 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.8 tp -106.97 111.11 23.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.771 2.028 . . . . 0.0 109.339 167.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.2 -53.8 6.06 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.11 139.66 41.39 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.137 1.375 . . . . 0.0 110.626 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -131.37 138.01 48.96 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.774 1.229 . . . . 0.0 111.997 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.5 -148.54 6.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 128.656 3.027 . . . . 0.0 111.912 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.3 t -147.29 162.59 38.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.405 1.082 . . . . 0.0 113.496 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -130.3 158.83 38.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.655 1.582 . . . . 0.0 111.89 165.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.3 m -120.95 137.93 54.38 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.631 1.572 . . . . 0.0 111.623 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -102.89 162.55 12.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.838 1.655 . . . . 0.0 114.449 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.4 p -60.28 -34.8 74.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.523 1.929 . . . . 0.0 113.556 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 -77.97 2.68 16.81 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.64 -5.04 82.44 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.115 1.817 . . . . 0.0 115.596 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 62.4 p -76.42 154.63 34.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 119.553 1.677 . . . . 0.0 112.982 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 32.2 p -128.35 151.57 49.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.0 1.72 . . . . 0.0 111.47 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.69 160.88 43.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.392 1.077 . . . . 0.0 111.255 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.14 151.95 38.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.8 ptm -143.93 155.93 44.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.77 1.628 . . . . 0.0 110.951 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -172.82 166.02 38.53 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 118.559 2.184 . . . . 0.0 118.559 -172.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -76.83 113.71 14.8 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.239 2.215 . . . . 0.0 110.931 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.24 129.77 55.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.171 1.388 . . . . 0.0 111.738 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.61 111.21 23.38 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 107.636 167.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.838 0.855 . . . . 0.0 111.839 -173.614 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.99 166.05 28.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.33 133.31 53.74 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.291 1.437 . . . . 0.0 111.304 162.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.0 147.24 49.59 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 125.605 1.562 . . . . 0.0 112.747 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.88 140.31 49.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.066 1.746 . . . . 0.0 110.106 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -97.51 115.05 27.08 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.27 -17.2 63.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -112.89 -2.81 14.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.641 1.976 . . . . 0.0 114.4 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.52 12.52 73.56 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 126.773 2.13 . . . . 0.0 117.0 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.66 -32.11 57.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 120.06 1.93 . . . . 0.0 114.135 -168.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.52 131.05 2.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 126.229 1.871 . . . . 0.0 110.614 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.91 131.29 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 O-C-N 120.869 -1.371 . . . . 0.0 110.435 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.83 150.43 39.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.301 1.84 . . . . 0.0 113.65 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -138.99 160.54 39.54 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.287 1.435 . . . . 0.0 114.153 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.26 170.06 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 127.763 2.425 . . . . 0.0 111.569 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 C-N-CA 122.93 0.492 . . . . 0.0 110.982 155.441 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.013 0 N-CA-C 114.571 0.588 . . . . 0.0 114.571 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -152.45 171.89 17.37 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -78.58 146.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 124.099 0.96 . . . . 0.0 112.018 169.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -65.4 157.6 28.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 121.729 -0.607 . . . . 0.0 112.355 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.65 56.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.274 1.429 . . . . 0.0 114.156 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.37 -25.57 68.09 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.865 2.466 . . . . 0.0 114.823 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -120.57 177.1 5.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.246 2.218 . . . . 0.0 111.852 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.96 170.57 34.3 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.218 -1.551 . . . . 0.0 116.151 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.0 mt -106.38 150.18 26.26 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.428 1.491 . . . . 0.0 113.072 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -89.32 117.93 28.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.54 150.09 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 125.585 1.554 . . . . 0.0 112.945 -166.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.84 142.86 23.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.483 1.113 . . . . 0.0 111.642 169.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -78.82 114.03 17.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.529 0.681 . . . . 0.0 111.36 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.443 -0.823 0 C-N-CA 124.144 0.978 . . . . 0.0 112.235 179.544 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -155.0 -20.93 0.12 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -104.11 146.11 29.22 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.309 1.044 . . . . 0.0 111.516 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.66 -33.31 81.79 Favored Glycine 0 CA--C 1.525 0.706 0 O-C-N 121.211 -0.931 . . . . 0.0 114.42 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.71 -9.38 58.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.9 -21.15 51.67 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.977 1.311 . . . . 0.0 112.493 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.21 135.02 36.67 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.176 2.19 . . . . 0.0 110.995 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -71.62 134.0 46.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.943 -0.473 . . . . 0.0 111.68 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.78 37.0 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.418 1.961 . . . . 0.0 110.125 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.29 -6.62 24.97 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -173.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -119.23 25.33 10.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.236 1.414 . . . . 0.0 112.805 170.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.443 -0.785 0 O-C-N 121.104 -0.997 . . . . 0.0 111.842 169.334 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.1 p90 . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.3 62.99 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 119.478 1.035 . . . . 0.0 112.804 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.18 -37.57 63.9 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.988 0.915 . . . . 0.0 112.546 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.47 -33.75 76.39 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.198 0.999 . . . . 0.0 112.794 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -17.27 60.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.35 -22.61 65.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.749 -1.219 . . . . 0.0 113.542 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.43 -12.85 60.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -171.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -72.43 124.83 25.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.271 0.941 . . . . 0.0 112.281 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -91.52 -35.47 14.28 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -111.15 -7.84 14.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.928 1.691 . . . . 0.0 114.402 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.55 24.12 59.21 Favored Glycine 0 C--N 1.342 0.897 0 O-C-N 121.07 -1.018 . . . . 0.0 114.739 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -80.94 -3.37 51.3 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.693 1.246 . . . . 0.0 113.114 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.59 22.26 10.56 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 126.88 2.072 . . . . 0.0 114.411 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 pt -130.2 143.71 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.85 1.26 . . . . 0.0 111.141 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -96.94 107.83 20.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -138.76 171.94 13.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.933 0.893 . . . . 0.0 112.971 -167.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.21 13.24 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.71 -12.95 49.9 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.62 133.97 39.46 Favored 'General case' 0 C--O 1.226 -0.179 0 O-C-N 121.119 -0.988 . . . . 0.0 110.619 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.13 73.02 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 120.402 -1.436 . . . . 0.0 113.908 -169.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -17.18 64.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.736 1.214 . . . . 0.0 114.205 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -66.37 -30.39 70.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 120.212 1.369 . . . . 0.0 112.781 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.03 -15.64 61.51 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -2.02 22.76 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.877 1.271 . . . . 0.0 113.757 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.4 tp -83.86 129.98 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.212 1.405 . . . . 0.0 110.853 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -132.86 163.84 28.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.648 1.579 . . . . 0.0 112.53 -169.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -123.4 136.91 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.767 1.627 . . . . 0.0 109.541 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -107.0 116.95 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.066 1.746 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -114.18 101.04 8.83 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 125.396 1.478 . . . . 0.0 109.172 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.14 137.24 56.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.291 1.037 . . . . 0.0 111.449 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.62 -29.99 36.8 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.01 -12.76 14.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.159 1.383 . . . . 0.0 113.783 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 57.54 52.67 8.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.842 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -98.96 -16.22 18.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.047 0.939 . . . . 0.0 113.165 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.22 22.71 77.33 Favored Glycine 0 N--CA 1.444 -0.77 0 O-C-N 121.486 -0.759 . . . . 0.0 113.144 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.6 mm -110.1 123.38 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 170.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -89.7 141.78 28.29 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -167.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -137.32 146.15 44.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 125.772 1.629 . . . . 0.0 110.387 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.55 66.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -63.99 -16.61 61.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -90.56 -1.02 57.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.484 1.514 . . . . 0.0 113.961 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.0 mt -96.3 154.27 17.35 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 126.011 1.725 . . . . 0.0 112.811 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.71 151.9 32.04 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.426 1.49 . . . . 0.0 111.892 167.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.0 p -83.42 153.52 24.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.831 0.853 . . . . 0.0 112.655 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -38.79 88.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.581 -0.699 . . . . 0.0 112.566 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -34.24 72.05 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 121.351 -0.843 . . . . 0.0 112.243 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -72.83 -29.69 63.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.389 -0.819 . . . . 0.0 112.713 172.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.79 -8.58 57.2 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.052 1.741 . . . . 0.0 113.727 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.37 19.95 77.62 Favored Glycine 0 C--N 1.334 0.438 0 CA-C-N 119.602 1.092 . . . . 0.0 115.088 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 69.2 mt -88.85 129.3 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.849 1.66 . . . . 0.0 108.75 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -106.97 -38.93 5.9 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.052 0.941 . . . . 0.0 113.381 -171.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 p -154.25 148.62 26.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.6 mt -109.36 133.87 52.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.633 1.973 . . . . 0.0 109.815 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.95 136.88 33.42 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.293 0.637 . . . . 0.0 111.354 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.14 -16.06 48.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.802 1.241 . . . . 0.0 113.894 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.92 145.86 33.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.586 1.085 . . . . 0.0 112.816 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.9 160.79 38.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.917 1.687 . . . . 0.0 112.933 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -133.04 145.23 50.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.578 1.951 . . . . 0.0 109.494 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . 0.276 3.0 p30 -79.83 151.3 30.34 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.155 0.979 . . . . 0.0 112.947 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.75 -31.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.931 1.692 . . . . 0.0 112.825 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.1 m120 48.31 59.71 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.288 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.08 140.52 48.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.762 1.625 . . . . 0.0 112.516 -173.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.9 141.3 32.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.348 1.059 . . . . 0.0 111.006 165.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.4 mt -110.51 8.22 22.93 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.645 1.578 . . . . 0.0 113.672 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.0 164.64 30.08 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 125.371 1.463 . . . . 0.0 113.022 -164.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.5 10.68 1.02 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.909 1.684 . . . . 0.0 114.95 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.16 13.49 73.15 Favored Glycine 0 N--CA 1.442 -0.943 0 O-C-N 119.865 -1.772 . . . . 0.0 114.966 -171.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -77.87 144.07 37.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.333 1.566 . . . . 0.0 110.018 165.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.1 m -140.27 137.93 34.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -162.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.1 tp -107.11 113.63 27.2 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.904 2.082 . . . . 0.0 110.198 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.71 -52.7 5.88 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 124.208 1.003 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.19 153.33 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.202 1.801 . . . . 0.0 111.039 -174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -130.96 147.09 52.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 0.0 111.448 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.52 -170.63 16.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 127.297 2.379 . . . . 0.0 112.06 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -142.2 143.73 33.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -124.28 160.05 28.85 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.825 1.25 . . . . 0.0 111.726 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 88.7 m -119.62 139.69 51.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.519 1.528 . . . . 0.0 111.296 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -100.33 162.43 12.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 112.896 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 28.1 p -62.76 -25.72 68.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -80.99 9.97 5.79 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.74 -11.53 59.21 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 125.811 1.672 . . . . 0.0 115.6 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.6 p -78.24 162.64 26.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 118.959 1.38 . . . . 0.0 112.674 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 55.7 p -114.5 161.27 18.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -155.14 163.06 40.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.56 1.144 . . . . 0.0 112.433 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -82.16 143.67 31.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.712 1.605 . . . . 0.0 113.555 -170.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.5 ptm -135.12 164.81 26.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.042 1.337 . . . . 0.0 110.102 162.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.71 171.38 39.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -112.72 113.4 25.49 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.243 1.817 . . . . 0.0 110.441 -172.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.85 147.09 35.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.078 1.351 . . . . 0.0 113.537 -170.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 41.9 tp -115.65 116.73 28.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.962 1.305 . . . . 0.0 109.204 159.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 125.507 1.523 . . . . 0.0 111.279 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -158.81 168.65 26.27 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.527 1.531 . . . . 0.0 112.807 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.67 134.84 34.35 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.071 0.948 . . . . 0.0 112.729 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.01 160.69 31.15 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.386 1.874 . . . . 0.0 113.062 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.9 143.4 50.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.54 1.936 . . . . 0.0 111.217 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -86.75 120.75 28.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.438 1.095 . . . . 0.0 111.426 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -88.74 -13.72 38.89 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.546 1.138 . . . . 0.0 113.696 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.15 -17.71 13.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.708 1.203 . . . . 0.0 113.617 -172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.37 36.46 49.9 Favored Glycine 0 C--O 1.219 -0.787 0 C-N-CA 123.705 0.669 . . . . 0.0 113.819 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -124.11 -13.95 7.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.622 1.569 . . . . 0.0 113.172 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 150.55 6.46 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 126.551 2.024 . . . . 0.0 112.337 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.96 132.84 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.166 1.386 . . . . 0.0 109.614 174.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -138.34 149.86 46.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.874 1.67 . . . . 0.0 112.796 -168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -143.07 163.09 33.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.171 1.788 . . . . 0.0 113.45 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.81 174.72 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 128.334 2.654 . . . . 0.0 110.663 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.896 0 O-C-N 121.04 -1.037 . . . . 0.0 111.565 156.489 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 CA-C-O 120.337 -0.146 . . . . 0.0 113.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -148.59 167.37 25.62 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 117.75 0.775 . . . . 0.0 112.018 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.85 151.07 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 112.069 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -63.03 158.74 18.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 111.028 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -9.95 29.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 120.349 -1.47 . . . . 0.0 113.295 170.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.87 3.17 35.0 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 129.338 3.055 . . . . 0.0 113.88 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.34 178.54 8.68 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 130.241 3.416 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.62 163.52 32.63 Favored Glycine 0 N--CA 1.438 -1.223 0 O-C-N 119.848 -1.782 . . . . 0.0 115.407 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 134.97 52.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.036 1.734 . . . . 0.0 110.465 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -81.95 122.99 28.47 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.699 1.199 . . . . 0.0 112.233 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.7 m -145.46 165.76 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.144 1.378 . . . . 0.0 113.452 -168.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -147.36 138.27 23.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.772 2.029 . . . . 0.0 111.563 169.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -82.93 120.66 25.98 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 121.743 -0.598 . . . . 0.0 110.556 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.803 . . . . 0.0 113.999 -175.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.411 0.624 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -136.08 -5.11 2.13 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.45 145.99 47.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.617 1.099 . . . . 0.0 111.741 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.36 -19.04 45.55 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.78 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.79 1.295 . . . . 0.0 114.019 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -85.87 -7.25 58.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.623 1.569 . . . . 0.0 114.618 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -91.97 152.06 20.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.776 1.23 . . . . 0.0 110.172 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.03 128.4 35.72 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.714 -0.616 . . . . 0.0 111.57 167.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 177.71 -153.68 13.8 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.212 0.911 . . . . 0.0 112.157 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -27.08 62.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.491 1.116 . . . . 0.0 111.538 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.4 7.51 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.574 -1.329 . . . . 0.0 113.357 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 123.866 0.866 . . . . 0.0 110.628 175.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.87 58.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.442 -1.411 . . . . 0.0 113.126 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.42 -44.8 34.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.641 0.776 . . . . 0.0 112.5 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.96 -34.36 77.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.49 78.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -82.91 -14.53 54.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.8 mt -80.48 -21.9 41.54 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.198 -0.939 . . . . 0.0 112.437 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.55 119.66 8.48 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.625 1.17 . . . . 0.0 111.486 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.0 m -72.21 -19.98 61.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.589 1.155 . . . . 0.0 113.947 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -104.65 -16.25 15.04 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.354 1.462 . . . . 0.0 113.183 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.91 42.49 37.63 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.012 1.291 . . . . 0.0 115.289 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.39 12.89 15.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.14 1.376 . . . . 0.0 113.677 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 t30 58.71 24.57 12.36 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.854 2.461 . . . . 0.0 115.129 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.58 131.17 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.016 1.327 . . . . 0.0 108.187 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.0 mm -89.28 107.46 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -130.03 168.17 17.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.097 1.359 . . . . 0.0 111.859 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.54 13.98 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.88 -23.04 63.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.2 142.61 31.05 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.718 1.207 . . . . 0.0 112.898 -173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.0 90.97 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 120.817 -1.177 . . . . 0.0 113.898 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.97 66.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.411 1.084 . . . . 0.0 113.583 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -57.48 -29.24 64.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.923 0.889 . . . . 0.0 112.229 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.72 -31.12 59.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.271 1.428 . . . . 0.0 112.842 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 m -83.34 -30.42 27.49 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.772 1.229 . . . . 0.0 113.755 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.56 149.0 40.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.023 0.929 . . . . 0.0 113.053 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -134.65 156.73 48.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.763 1.625 . . . . 0.0 110.354 171.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.38 128.21 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 124.058 0.943 . . . . 0.0 108.809 170.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.31 116.36 28.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.204 1.002 . . . . 0.0 109.011 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.54 108.05 17.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.006 1.723 . . . . 0.0 108.831 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -107.02 116.28 31.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.905 0.882 . . . . 0.0 111.214 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.49 -12.34 60.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -112.82 -16.76 12.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 46.8 65.19 1.28 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 126.468 1.907 . . . . 0.0 113.161 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -115.88 -8.57 11.92 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.599 1.56 . . . . 0.0 114.06 -171.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.98 10.95 84.12 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 125.225 1.393 . . . . 0.0 114.69 -173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.9 125.84 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-N 119.784 1.792 . . . . 0.0 108.523 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -82.3 137.92 34.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.52 0.728 . . . . 0.0 111.922 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.1 147.46 51.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.521 1.128 . . . . 0.0 110.379 165.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.76 76.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -62.26 -19.32 63.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -86.06 -7.61 58.5 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.776 1.63 . . . . 0.0 112.9 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.95 127.39 36.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.754 1.222 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -106.81 140.23 39.97 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.508 1.923 . . . . 0.0 109.892 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -72.13 159.12 34.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 161.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.32 -32.93 73.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.212 -0.93 . . . . 0.0 111.781 171.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.18 -34.49 63.79 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.35 -19.45 63.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.445 -2.034 . . . . 0.0 113.631 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.72 -2.14 58.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.619 1.568 . . . . 0.0 112.783 170.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.12 25.08 74.61 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.523 1.059 . . . . 0.0 114.753 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.7 mt -77.29 142.81 13.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 118.486 1.143 . . . . 0.0 109.559 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.0 -47.99 3.16 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.312 1.445 . . . . 0.0 112.537 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -155.55 143.41 19.82 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.6 mt -117.24 100.35 7.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.254 2.622 . . . . 0.0 109.431 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -79.99 119.5 22.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.749 0.82 . . . . 0.0 111.007 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.4 mt -80.59 2.7 24.55 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 114.733 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.45 41.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.442 1.019 . . . . 0.0 112.046 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -146.58 152.28 38.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -116.14 143.13 45.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.974 2.51 . . . . 0.0 110.49 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.26 129.47 40.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.715 1.206 . . . . 0.0 110.63 171.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.14 -28.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m120 48.5 51.2 15.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.93 2.092 . . . . 0.0 115.707 166.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.35 140.32 31.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.79 1.636 . . . . 0.0 112.787 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -81.47 128.13 33.55 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.196 0.998 . . . . 0.0 108.879 162.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 37.4 mt -109.24 9.19 25.97 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 113.668 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 82.59 164.12 34.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 124.572 1.082 . . . . 0.0 113.638 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 53.33 29.38 8.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.06 1.744 . . . . 0.0 114.88 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.76 2.78 78.16 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 126.201 1.858 . . . . 0.0 115.28 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -95.15 144.15 26.01 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.977 1.311 . . . . 0.0 112.816 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -136.16 138.73 42.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 111.753 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -106.6 104.7 14.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.658 1.583 . . . . 0.0 109.186 168.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.03 -47.47 11.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -133.09 134.64 44.55 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.395 1.478 . . . . 0.0 110.721 -168.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -137.24 136.23 37.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.963 1.305 . . . . 0.0 113.116 -170.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.82 -167.27 13.28 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 127.221 2.344 . . . . 0.0 112.436 165.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.6 t -140.02 149.42 43.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.896 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -130.15 165.92 21.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.517 1.527 . . . . 0.0 112.292 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 83.0 m -128.3 141.43 51.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.351 1.061 . . . . 0.0 112.087 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -101.75 159.97 14.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.594 1.958 . . . . 0.0 113.408 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 61.8 p -64.19 -27.97 69.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -77.98 -1.65 33.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.64 -6.67 74.26 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.693 1.616 . . . . 0.0 115.302 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 65.1 p -75.16 155.94 36.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.814 1.307 . . . . 0.0 112.114 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 64.2 p -135.07 152.28 51.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.003 1.321 . . . . 0.0 111.933 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.2 40.32 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.263 1.425 . . . . 0.0 111.434 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -77.65 156.51 30.7 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.0 ptm -139.47 157.91 45.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.533 1.933 . . . . 0.0 109.64 167.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.79 174.19 43.04 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 121.191 1.814 . . . . 0.0 117.493 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -85.07 108.69 17.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.23 1.812 . . . . 0.0 110.41 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.4 mt -96.45 127.77 42.76 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.287 1.435 . . . . 0.0 110.608 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -89.81 111.0 21.89 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 158.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.514 -0.41 0 C-N-CA 123.963 0.905 . . . . 0.0 110.757 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 121.383 0.611 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.87 163.88 34.67 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.609 1.164 . . . . 0.0 109.994 170.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.81 116.97 9.91 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.66 168.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.91 146.19 40.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.553 1.541 . . . . 0.0 110.837 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.22 133.02 55.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.706 1.602 . . . . 0.0 110.52 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -77.23 124.65 28.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -81.92 -18.71 42.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.07 -22.12 11.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -166.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.88 43.09 18.65 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.925 0.784 . . . . 0.0 112.81 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -138.48 7.0 2.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.203 1.801 . . . . 0.0 114.428 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.98 24.0 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 125.92 1.724 . . . . 0.0 114.572 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.66 122.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 C-N-CA 124.777 1.231 . . . . 0.0 109.351 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -104.48 144.45 31.66 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.925 1.29 . . . . 0.0 113.111 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -138.37 148.93 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.652 1.181 . . . . 0.0 112.275 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -145.74 164.62 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 C-N-CA 126.594 1.958 . . . . 0.0 111.817 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.226 0 C-N-CA 125.639 1.576 . . . . 0.0 109.902 169.422 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.039 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -134.53 165.86 24.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.793 1.637 . . . . 0.0 111.539 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.44 128.13 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 120.489 -1.382 . . . . 0.0 110.843 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -54.23 156.45 3.16 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.389 1.876 . . . . 0.0 113.523 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.48 2.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 113.892 168.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.47 -20.7 50.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.572 1.549 . . . . 0.0 115.083 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.75 -177.84 5.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 127.045 2.138 . . . . 0.0 111.818 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.54 178.74 33.73 Favored Glycine 0 N--CA 1.443 -0.871 0 O-C-N 119.066 -2.271 . . . . 0.0 117.664 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.99 146.65 41.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.639 1.976 . . . . 0.0 113.245 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.43 124.37 29.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.632 1.173 . . . . 0.0 111.343 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.19 159.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.767 1.227 . . . . 0.0 113.384 -170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -156.74 116.43 3.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -70.72 119.72 15.27 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.395 1.078 . . . . 0.0 110.278 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 N--CA 1.447 -0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 113.105 -178.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.02 -6.45 0.75 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -120.17 149.05 42.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.822 1.649 . . . . 0.0 110.519 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.79 -27.42 72.03 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 120.143 -1.598 . . . . 0.0 115.598 -168.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -7.78 48.75 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.21 -7.38 53.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 113.394 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 144.02 28.19 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.774 1.23 . . . . 0.0 109.334 164.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -74.04 106.08 5.56 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 167.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -169.46 -161.24 19.48 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.609 2.052 . . . . 0.0 112.162 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -77.41 9.1 3.47 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.863 -1.375 . . . . 0.0 114.269 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -121.42 1.77 10.18 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.797 1.239 . . . . 0.0 113.772 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.515 -0.378 0 C-N-CA 124.878 1.271 . . . . 0.0 113.741 -170.17 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.446 -0.65 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.843 1.202 . . . . 0.0 112.305 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.85 63.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 173.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.77 -40.69 20.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.948 1.299 . . . . 0.0 111.943 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.61 -23.16 67.17 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.856 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.41 -20.95 65.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.813 1.645 . . . . 0.0 113.631 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.2 mt -96.57 -8.69 31.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.444 1.498 . . . . 0.0 114.12 -167.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -70.38 113.05 7.15 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 120.023 1.283 . . . . 0.0 109.966 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.7 p -86.12 -14.89 42.84 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.19 1.396 . . . . 0.0 114.444 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -109.93 -22.85 11.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -164.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.26 31.5 61.3 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 119.033 0.833 . . . . 0.0 113.914 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -97.85 -7.4 30.48 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.135 1.374 . . . . 0.0 112.075 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.281 5.3 t30 58.84 30.87 20.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.995 2.518 . . . . 0.0 114.644 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.8 pt -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.888 1.675 . . . . 0.0 111.039 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.93 116.35 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 167.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -149.56 177.71 9.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.798 1.639 . . . . 0.0 111.009 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.73 16.48 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.34 -24.99 66.61 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.8 142.09 28.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.826 1.651 . . . . 0.0 113.053 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.83 68.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.873 1.269 . . . . 0.0 113.533 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.33 62.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.943 1.297 . . . . 0.0 113.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.34 -20.69 64.64 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.841 -1.162 . . . . 0.0 113.217 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.97 -28.28 25.92 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.041 1.337 . . . . 0.0 113.894 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.8 p -105.76 -20.01 13.58 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.4 mt -63.73 140.87 58.91 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.709 1.204 . . . . 0.0 111.701 172.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -139.52 169.64 17.38 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.298 2.239 . . . . 0.0 109.345 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -119.21 127.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 124.177 0.991 . . . . 0.0 109.473 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -91.92 109.0 20.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.073 1.349 . . . . 0.0 109.957 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -110.11 99.7 8.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.271 1.828 . . . . 0.0 107.729 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.21 147.43 36.41 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.724 -0.61 . . . . 0.0 111.879 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.74 -42.21 15.44 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.115 0.966 . . . . 0.0 112.436 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -119.0 -7.32 10.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.26 20.4 mp0 60.57 42.07 14.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.712 2.405 . . . . 0.0 114.341 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -76.25 -25.34 54.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.572 1.549 . . . . 0.0 114.218 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.14 19.66 69.13 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 124.189 0.9 . . . . 0.0 113.834 -166.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.8 mt -129.35 112.01 23.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.84 1.656 . . . . 0.0 107.991 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -84.11 144.33 29.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.21 -0.931 . . . . 0.0 112.561 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -125.85 167.4 15.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.326 1.05 . . . . 0.0 111.945 165.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.4 60.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -91.15 -3.34 57.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.487 1.515 . . . . 0.0 113.333 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -93.1 7.75 42.92 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.385 1.474 . . . . 0.0 113.636 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 147.84 26.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.673 1.189 . . . . 0.0 112.01 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -122.87 147.63 46.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.908 2.083 . . . . 0.0 108.795 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.9 p -79.83 157.95 26.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.788 0.835 . . . . 0.0 111.565 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.75 -33.99 75.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.131 -0.981 . . . . 0.0 111.692 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -46.11 68.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.32 -27.69 64.57 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.828 1.194 . . . . 0.0 111.925 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.26 2.94 16.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.958 1.703 . . . . 0.0 113.585 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.77 79.81 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 119.724 1.147 . . . . 0.0 114.044 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.69 134.75 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 118.815 1.308 . . . . 0.0 110.198 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -94.57 -49.41 5.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.245 1.818 . . . . 0.0 111.277 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.2 p -161.55 168.14 24.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.68 1.192 . . . . 0.0 112.781 173.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.0 135.06 48.13 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.838 1.655 . . . . 0.0 110.299 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -89.45 130.22 35.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.408 1.083 . . . . 0.0 111.543 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.79 12.53 18.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -96.25 93.26 6.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 120.675 1.58 . . . . 0.0 112.498 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.06 144.33 29.22 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.421 1.889 . . . . 0.0 112.801 -173.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -131.05 143.18 50.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.488 1.515 . . . . 0.0 111.999 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.64 136.78 47.47 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.111 0.964 . . . . 0.0 112.093 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -134.07 -26.5 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 126.475 1.91 . . . . 0.0 114.112 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 42.57 45.94 4.09 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 127.322 2.249 . . . . 0.0 115.531 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -105.75 124.63 49.87 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.07 1.348 . . . . 0.0 111.548 -169.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -71.76 131.3 42.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 171.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.0 mt -116.31 -23.09 8.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.084 1.354 . . . . 0.0 113.242 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.99 179.52 38.18 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 125.034 1.302 . . . . 0.0 112.806 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -69.56 96.19 0.91 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.627 1.171 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.79 10.75 75.35 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 125.316 1.436 . . . . 0.0 116.079 -170.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -125.02 122.88 38.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 119.398 1.599 . . . . 0.0 112.248 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.2 m -145.59 137.48 25.37 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.664 1.186 . . . . 0.0 111.083 -168.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.8 tp -102.54 115.85 31.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.957 1.703 . . . . 0.0 110.735 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.12 3.57 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.048 0.939 . . . . 0.0 112.902 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -141.97 145.49 34.54 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.831 1.253 . . . . 0.0 111.325 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -139.17 133.12 30.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.042 1.337 . . . . 0.0 111.997 -162.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.25 -157.21 10.69 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 126.376 1.941 . . . . 0.0 111.837 161.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.5 m -134.7 170.18 16.21 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.254 1.022 . . . . 0.0 112.471 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -131.76 152.49 50.9 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.843 0.857 . . . . 0.0 110.701 160.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.0 m -104.82 138.99 40.25 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.448 1.099 . . . . 0.0 110.076 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -99.28 156.22 17.1 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 126.522 1.929 . . . . 0.0 110.764 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.3 p -60.69 -24.74 65.86 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.898 -1.127 . . . . 0.0 113.842 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -74.01 -1.56 20.46 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.851 1.66 . . . . 0.0 115.073 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.14 2.87 73.64 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 126.898 2.189 . . . . 0.0 115.918 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 170.85 8.35 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 119.314 1.557 . . . . 0.0 112.434 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.6 p -126.46 163.06 24.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.9 164.37 30.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.874 1.269 . . . . 0.0 110.809 160.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -87.52 152.41 22.23 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.285 1.034 . . . . 0.0 113.097 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.2 ptm -150.37 150.43 31.41 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.514 1.126 . . . . 0.0 112.055 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.73 177.62 48.08 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 117.013 1.565 . . . . 0.0 117.013 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -74.52 106.41 6.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 109.675 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.18 120.04 35.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.055 -165.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.8 tp -71.42 123.76 23.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.247 1.819 . . . . 0.0 111.01 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.446 -0.644 0 C-N-CA 126.81 2.044 . . . . 0.0 109.064 178.465 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.17 19.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -170.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.3 tp -88.29 114.07 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.833 1.253 . . . . 0.0 110.391 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 161.52 21.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.374 1.47 . . . . 0.0 114.103 -170.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.66 140.8 48.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.237 1.815 . . . . 0.0 111.522 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -84.56 106.31 16.03 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.241 1.016 . . . . 0.0 112.284 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.01 -17.73 36.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -166.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -113.78 -16.29 12.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.119 1.525 . . . . 0.0 115.119 172.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.5 25.94 24.38 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.342 -1.254 . . . . 0.0 114.528 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.21 10.25 30.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 120.038 1.919 . . . . 0.0 115.424 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 160.55 29.41 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 127.145 2.307 . . . . 0.0 112.691 -171.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.92 117.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -101.72 146.7 27.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 122.259 1.028 . . . . 0.0 113.509 -170.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 p -126.07 162.28 25.67 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 111.67 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.77 150.24 19.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.021 1.329 . . . . 0.0 111.123 -175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.406 0 C-N-CA 124.057 0.943 . . . . 0.0 111.901 173.244 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.474 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -154.23 173.65 15.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.911 1.684 . . . . 0.0 112.873 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.14 129.73 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 124.395 1.078 . . . . 0.0 110.384 172.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 156.93 31.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.459 1.104 . . . . 0.0 113.352 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -16.38 6.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.6 -33.02 72.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.663 1.585 . . . . 0.0 112.883 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -125.41 -177.01 3.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.537 1.935 . . . . 0.0 113.34 -170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.39 159.3 26.71 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 120.965 -1.084 . . . . 0.0 113.597 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.49 150.06 47.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.731 1.212 . . . . 0.0 112.674 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -79.75 133.99 36.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.287 1.035 . . . . 0.0 112.264 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.45 155.26 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.462 1.905 . . . . 0.0 111.929 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -151.58 127.46 10.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.185 1.394 . . . . 0.0 110.417 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -72.0 115.57 11.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.886 0.474 . . . . 0.0 110.308 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.45 -0.444 0 C-N-CA 123.696 0.798 . . . . 0.0 112.705 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.76 -10.73 2.36 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -135.69 160.56 38.15 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.16 0.984 . . . . 0.0 113.141 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.68 62.96 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 124.397 0.999 . . . . 0.0 113.886 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.65 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.157 1.783 . . . . 0.0 114.286 172.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -93.37 17.29 11.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.158 1.383 . . . . 0.0 113.336 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.85 151.98 26.33 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 128.087 2.555 . . . . 0.0 110.665 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -85.73 113.42 21.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.238 0.615 . . . . 0.0 109.821 162.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.34 -140.76 3.79 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 125.833 1.682 . . . . 0.0 112.288 -166.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -79.31 -14.94 58.68 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.402 1.481 . . . . 0.0 114.833 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.48 27.35 6.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.793 1.637 . . . . 0.0 114.156 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.449 -0.503 0 C-N-CA 125.425 1.49 . . . . 0.0 112.426 -170.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.26 90.38 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 120.804 -1.185 . . . . 0.0 112.645 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.85 96.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.424 -0.798 . . . . 0.0 112.919 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.96 -37.41 79.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.114 0.966 . . . . 0.0 111.605 172.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.01 67.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -69.99 -8.64 50.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.6 mt -88.13 2.41 52.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -75.08 119.01 18.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 120.474 -1.392 . . . . 0.0 111.019 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -90.39 -16.32 29.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.534 1.533 . . . . 0.0 113.845 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.45 -14.12 14.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -165.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.42 34.6 79.99 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 125.424 1.488 . . . . 0.0 114.774 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -103.21 -3.21 26.06 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.251 1.82 . . . . 0.0 112.462 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 60.51 27.86 17.52 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 127.389 2.276 . . . . 0.0 114.606 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.99 159.16 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.839 1.656 . . . . 0.0 111.934 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -106.55 116.16 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 124.42 1.088 . . . . 0.0 109.429 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.25 175.92 13.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.254 1.821 . . . . 0.0 111.996 -167.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.43 17.52 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.18 -12.13 59.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -79.97 138.26 37.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 119.924 1.238 . . . . 0.0 114.338 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.02 -28.65 69.2 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.14 52.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.5 -36.76 71.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -78.46 -15.1 59.0 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.559 1.072 . . . . 0.0 113.68 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -83.43 -21.26 33.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.416 1.486 . . . . 0.0 112.802 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.68 135.63 39.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.772 0.829 . . . . 0.0 110.818 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -137.86 166.27 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.087 1.755 . . . . 0.0 110.476 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.98 135.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.204 1.402 . . . . 0.0 109.762 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -102.49 125.85 49.34 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.986 1.314 . . . . 0.0 110.406 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -125.25 117.78 24.57 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 125.958 1.703 . . . . 0.0 109.819 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -111.04 105.55 14.34 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 123.659 0.783 . . . . 0.0 111.82 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 53.1 mt -77.58 -10.68 59.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.102 0.961 . . . . 0.0 113.081 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.56 -17.75 12.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 56.26 33.13 21.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.613 1.965 . . . . 0.0 116.195 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -80.1 1.55 27.51 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.822 -1.174 . . . . 0.0 113.465 171.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.85 7.08 58.3 Favored Glycine 0 N--CA 1.445 -0.73 0 O-C-N 120.583 -1.323 . . . . 0.0 115.223 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.74 134.91 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 126.715 2.006 . . . . 0.0 109.143 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.2 p -87.89 128.01 35.36 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 0.0 111.279 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.17 152.43 36.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.253 1.421 . . . . 0.0 110.273 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.41 -32.3 68.52 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -64.83 -22.98 67.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.17 5.83 28.38 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.516 1.526 . . . . 0.0 113.554 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -105.02 126.5 52.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.674 1.59 . . . . 0.0 111.76 -170.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -110.09 143.85 39.55 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.412 1.885 . . . . 0.0 110.285 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -73.93 164.61 26.4 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.679 0.792 . . . . 0.0 110.532 158.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.83 -33.23 75.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.279 -0.888 . . . . 0.0 111.33 169.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.15 -37.58 57.78 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.28 -17.72 61.86 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.7 -10.4 55.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.099 1.36 . . . . 0.0 113.389 167.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 33.41 80.17 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 125.339 1.447 . . . . 0.0 113.876 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.55 137.99 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 C-N-CA 124.318 1.047 . . . . 0.0 109.435 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.86 -43.65 3.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.343 1.457 . . . . 0.0 112.093 -173.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.9 m -153.96 151.69 29.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.885 1.274 . . . . 0.0 113.102 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.76 140.36 48.96 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.774 1.63 . . . . 0.0 110.345 168.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -92.72 134.56 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.896 0.879 . . . . 0.0 111.654 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.1 -5.49 52.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.011 1.324 . . . . 0.0 114.389 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.84 113.39 22.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.243 1.417 . . . . 0.0 111.243 174.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -130.11 168.13 17.26 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.966 1.306 . . . . 0.0 113.099 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -142.02 152.14 43.11 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.839 2.055 . . . . 0.0 111.074 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -80.12 132.4 35.93 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.088 0.955 . . . . 0.0 112.516 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.58 -25.68 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.102 1.361 . . . . 0.0 114.034 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 45.73 42.44 8.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 126.209 1.804 . . . . 0.0 115.463 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -83.43 121.49 27.25 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 126.797 2.039 . . . . 0.0 112.08 -172.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.63 137.2 56.55 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.205 -0.934 . . . . 0.0 111.839 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.4 mt -110.64 -8.76 14.57 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.697 1.599 . . . . 0.0 114.186 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 96.99 164.66 32.54 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 125.433 1.492 . . . . 0.0 113.605 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.68 30.77 9.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.026 1.731 . . . . 0.0 114.114 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.72 90.55 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -94.11 151.38 19.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.878 1.839 . . . . 0.0 112.105 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.4 m -141.93 137.33 31.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.28 1.032 . . . . 0.0 111.474 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 22.6 tp -91.33 113.77 26.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.426 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.24 -57.56 3.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -131.24 135.51 47.42 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.442 1.497 . . . . 0.0 111.454 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -122.18 144.9 48.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 112.009 -172.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.33 -162.87 9.42 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 127.826 2.631 . . . . 0.0 111.248 166.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.8 m -131.69 151.42 51.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.866 -1.373 . . . . 0.0 114.297 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -123.69 159.56 29.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.575 1.15 . . . . 0.0 111.63 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.6 m -118.31 134.77 54.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.982 1.713 . . . . 0.0 110.906 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -96.47 158.76 15.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.873 1.669 . . . . 0.0 111.839 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.7 p -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -77.62 3.75 13.04 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.62 0.79 87.84 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 125.341 1.448 . . . . 0.0 115.807 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.0 p -80.21 159.21 26.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 119.449 1.625 . . . . 0.0 112.611 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.1 p -127.71 147.12 50.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.042 1.337 . . . . 0.0 112.536 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.54 168.54 23.95 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.655 1.982 . . . . 0.0 109.857 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.06 154.19 24.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -171.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.2 ptm -139.6 156.39 46.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.497 1.919 . . . . 0.0 109.727 169.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.33 41.07 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 117.261 1.664 . . . . 0.0 117.261 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.79 107.81 19.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.063 2.145 . . . . 0.0 111.454 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.28 148.09 22.79 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 125.045 1.338 . . . . 0.0 113.962 -171.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.09 120.43 41.27 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.769 2.428 . . . . 0.0 107.509 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.445 -0.699 0 C-N-CA 123.441 0.697 . . . . 0.0 111.679 -171.157 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.92 165.23 34.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.38 1.872 . . . . 0.0 111.15 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tt -98.32 121.27 40.05 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 124.766 1.226 . . . . 0.0 109.122 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.15 146.67 41.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.36 1.464 . . . . 0.0 111.97 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.27 137.1 51.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.382 1.873 . . . . 0.0 110.353 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -77.51 103.46 7.45 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.178 1.391 . . . . 0.0 109.355 166.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -90.18 -34.88 15.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.082 -1.011 . . . . 0.0 113.251 -170.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -84.8 -19.04 33.16 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.217 1.372 . . . . 0.0 113.623 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.07 55.52 2.49 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 119.649 1.113 . . . . 0.0 114.206 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -140.33 10.8 2.33 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.01 147.53 11.67 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 126.378 1.942 . . . . 0.0 113.205 -172.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.96 130.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.373 -1.075 . . . . 0.0 109.216 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -127.5 145.78 50.73 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.8 p -119.73 158.66 26.04 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 124.873 1.269 . . . . 0.0 112.234 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.03 151.44 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 126.016 1.726 . . . . 0.0 111.217 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.442 0 C-N-CA 123.227 0.611 . . . . 0.0 110.19 169.777 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -147.25 172.36 13.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.285 2.234 . . . . 0.0 111.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.7 t -84.62 135.19 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 124.89 1.276 . . . . 0.0 111.716 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 145.34 17.7 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.722 1.609 . . . . 0.0 112.589 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.44 -16.13 63.87 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -80.49 -10.64 59.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.401 1.48 . . . . 0.0 114.093 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -116.08 178.26 4.38 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.292 2.637 . . . . 0.0 111.693 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.25 167.9 37.03 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 120.686 -1.259 . . . . 0.0 115.703 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.53 136.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.221 1.808 . . . . 0.0 111.325 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 tp -77.24 135.58 38.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 170.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.04 153.21 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 119.544 1.065 . . . . 0.0 113.378 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -136.92 158.66 43.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.401 1.881 . . . . 0.0 109.989 164.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.13 113.06 25.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.447 -0.575 0 C-N-CA 125.637 1.575 . . . . 0.0 114.816 -177.354 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--O 1.223 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.54 -22.56 8.07 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 125.795 1.638 . . . . 0.0 113.669 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -148.75 151.25 34.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.843 1.257 . . . . 0.0 111.501 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.23 -19.47 52.24 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 124.952 1.263 . . . . 0.0 114.639 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -17.18 33.41 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 170.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.63 -13.73 60.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 120.028 1.285 . . . . 0.0 113.952 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.76 146.0 24.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.85 1.66 . . . . 0.0 109.51 171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -76.75 102.87 6.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.499 -0.751 . . . . 0.0 110.299 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.55 174.41 41.31 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 125.899 1.714 . . . . 0.0 111.045 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.47 -10.99 60.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -164.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -91.81 6.38 46.27 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.065 1.346 . . . . 0.0 113.764 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.45 -0.461 0 O-C-N 120.772 -1.205 . . . . 0.0 114.231 177.257 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.06 71.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.895 -1.128 . . . . 0.0 113.616 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.91 52.35 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.498 1.119 . . . . 0.0 113.585 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.72 -43.31 31.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.04 0.936 . . . . 0.0 111.656 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.45 73.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -70.49 -5.69 30.66 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.97 -18.95 57.9 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.157 0.983 . . . . 0.0 113.46 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -67.82 124.69 24.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.092 0.957 . . . . 0.0 111.219 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.4 p -91.06 -35.59 14.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -110.56 -6.98 14.76 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.655 1.982 . . . . 0.0 114.709 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.95 22.09 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.456 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -101.37 1.91 39.01 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.814 1.646 . . . . 0.0 113.309 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.256 0.9 OUTLIER 67.98 21.63 8.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.663 2.385 . . . . 0.0 115.56 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -133.86 148.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 125.344 1.457 . . . . 0.0 111.912 168.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mm -100.0 103.07 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -135.51 172.68 12.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -166.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.96 -17.51 6.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.137 1.902 . . . . 0.0 116.137 -169.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.31 -26.73 32.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 120.049 1.295 . . . . 0.0 114.323 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -68.2 137.49 54.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 120.417 -1.427 . . . . 0.0 112.273 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.41 70.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.147 -0.971 . . . . 0.0 113.287 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -25.06 60.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 124.665 1.186 . . . . 0.0 114.107 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.66 -25.94 68.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -81.14 -29.52 34.73 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -92.76 -28.98 16.26 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 125.088 1.355 . . . . 0.0 114.241 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.9 148.48 25.45 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.038 1.335 . . . . 0.0 112.206 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -133.96 165.05 25.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.099 1.36 . . . . 0.0 110.836 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.7 t -114.26 131.08 67.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 C-N-CA 125.602 1.561 . . . . 0.0 108.935 167.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -117.59 135.9 53.65 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.162 1.785 . . . . 0.0 112.396 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -140.1 147.3 40.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.605 1.962 . . . . 0.0 107.575 165.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -138.85 114.61 9.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.194 0.998 . . . . 0.0 110.724 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.4 -22.81 58.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.272 0.629 . . . . 0.0 112.156 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -98.64 -11.71 21.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.37 1.468 . . . . 0.0 113.177 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 51.52 42.55 29.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.236 1.415 . . . . 0.0 113.893 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -110.3 17.92 20.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.234 1.414 . . . . 0.0 113.701 -169.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 5.65 80.4 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 168.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.5 mt -133.11 143.57 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 C-N-CA 126.961 2.105 . . . . 0.0 108.884 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.9 p -97.34 167.97 10.69 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.428 1.491 . . . . 0.0 114.309 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -142.15 164.04 31.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.379 2.272 . . . . 0.0 109.463 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.83 89.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -67.58 -23.93 65.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -81.85 -11.06 59.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.311 1.444 . . . . 0.0 112.817 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.48 136.9 52.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.704 2.002 . . . . 0.0 111.849 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -135.9 149.35 48.94 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.607 1.563 . . . . 0.0 110.765 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.6 p -84.35 154.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.375 1.07 . . . . 0.0 111.711 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.04 -31.84 71.47 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.991 0.916 . . . . 0.0 111.366 170.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.05 -49.43 74.61 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.26 1.424 . . . . 0.0 112.654 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -24.8 63.72 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.073 -1.017 . . . . 0.0 112.867 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.84 -2.33 32.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 168.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.72 22.67 76.87 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-N 119.644 1.111 . . . . 0.0 114.278 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.2 mt -83.0 146.85 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 109.351 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -113.59 -41.81 3.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.567 1.547 . . . . 0.0 112.812 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -147.89 146.24 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.7 mt -110.46 122.21 47.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.205 2.202 . . . . 0.0 107.94 162.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -93.47 124.62 37.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 118.797 0.726 . . . . 0.0 111.665 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.7 -8.97 57.99 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.11 117.3 13.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 120.158 1.344 . . . . 0.0 112.644 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -109.63 150.53 28.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 114.56 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -111.32 144.41 40.56 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 128.109 2.564 . . . . 0.0 109.723 164.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -82.44 136.31 34.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.855 0.862 . . . . 0.0 112.282 172.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.6 -26.3 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 36.94 57.07 1.21 Allowed 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.329 2.252 . . . . 0.0 115.714 168.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -120.18 146.87 45.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 126.021 1.728 . . . . 0.0 114.387 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -84.89 120.14 26.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.497 1.519 . . . . 0.0 110.839 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.5 mt -88.8 -7.05 56.89 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.011 1.324 . . . . 0.0 113.724 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.04 144.07 4.45 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 126.359 1.933 . . . . 0.0 111.554 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 46.2 35.13 2.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 115.689 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 12.97 72.44 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.55 123.67 33.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.968 1.384 . . . . 0.0 109.73 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 83.1 m -123.45 122.57 38.58 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -163.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 tp -92.35 117.58 30.05 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.435 1.894 . . . . 0.0 109.632 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.37 -53.48 4.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.147 0.979 . . . . 0.0 112.968 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -130.52 153.74 48.52 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 124.704 1.202 . . . . 0.0 110.748 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -135.87 140.99 44.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.358 1.463 . . . . 0.0 111.645 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.6 -163.14 9.56 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 127.608 2.528 . . . . 0.0 111.303 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -138.52 158.33 44.46 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -121.91 151.96 40.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 126.42 1.888 . . . . 0.0 110.607 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 17.1 m -116.85 136.79 52.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.828 1.651 . . . . 0.0 110.59 -172.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.34 159.14 15.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.259 1.823 . . . . 0.0 113.013 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 75.8 p -66.58 -18.04 65.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -78.0 -8.28 57.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.001 1.32 . . . . 0.0 114.527 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 96.13 0.88 61.43 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 125.971 1.748 . . . . 0.0 115.92 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -83.86 159.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 119.704 1.752 . . . . 0.0 112.926 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.0 p -130.11 153.09 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.265 1.426 . . . . 0.0 112.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.24 162.91 39.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.826 1.25 . . . . 0.0 112.524 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -78.56 152.23 32.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.767 1.627 . . . . 0.0 114.946 -169.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -147.9 160.33 42.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.031 1.732 . . . . 0.0 111.444 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.05 176.75 48.15 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 117.582 1.793 . . . . 0.0 117.582 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -90.11 107.67 19.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.246 2.218 . . . . 0.0 111.404 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -123.7 116.55 23.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.76 1.624 . . . . 0.0 111.124 -162.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 66.0 tp -88.04 116.36 26.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.553 1.941 . . . . 0.0 109.688 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 124.307 1.043 . . . . 0.0 111.68 178.172 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -128.71 169.16 14.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.777 2.431 . . . . 0.0 111.761 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.15 122.28 43.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.38 1.072 . . . . 0.0 111.445 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.48 152.42 40.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.746 1.618 . . . . 0.0 114.162 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -125.78 144.13 50.76 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.205 2.202 . . . . 0.0 111.622 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -87.72 94.81 9.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.48 -14.06 36.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -164.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -102.7 -7.81 21.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 119.979 1.263 . . . . 0.0 113.465 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.52 28.6 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 168.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -122.19 19.57 10.68 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 120.212 2.006 . . . . 0.0 114.037 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.86 151.62 26.97 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.935 2.207 . . . . 0.0 113.639 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.45 130.82 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.395 1.078 . . . . 0.0 109.914 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -125.65 149.12 48.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.819 1.648 . . . . 0.0 112.461 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.8 p -127.82 153.54 46.47 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.326 1.45 . . . . 0.0 112.373 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.86 165.94 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 127.169 2.188 . . . . 0.0 110.697 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 O-C-N 121.55 -0.719 . . . . 0.0 110.781 168.087 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.185 0 N-CA-C 114.952 0.741 . . . . 0.0 114.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -147.34 171.58 15.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.279 1.831 . . . . 0.0 112.306 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.54 135.51 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.067 1.347 . . . . 0.0 110.677 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -55.18 151.61 9.18 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.1 1.36 . . . . 0.0 113.319 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.52 -11.14 59.47 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.98 -5.28 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.617 1.167 . . . . 0.0 113.23 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -122.87 179.78 4.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 129.126 2.97 . . . . 0.0 112.215 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.74 -174.65 34.71 Favored Glycine 0 CA--C 1.524 0.623 0 O-C-N 120.349 -1.469 . . . . 0.0 115.898 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.8 mt -117.62 147.88 42.46 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 126.19 1.796 . . . . 0.0 112.372 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -83.87 129.52 34.93 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.262 1.025 . . . . 0.0 110.677 170.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.9 161.74 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.754 1.622 . . . . 0.0 112.525 -172.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -151.33 128.69 11.3 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 125.123 1.369 . . . . 0.0 111.758 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.24 113.46 15.01 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.757 -0.589 . . . . 0.0 110.091 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.444 -0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.088 -178.586 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.32 -24.09 0.11 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -86.94 143.85 27.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.057 1.343 . . . . 0.0 110.402 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.71 -26.26 64.68 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 120.499 -1.375 . . . . 0.0 114.797 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.17 -9.43 58.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -86.26 6.35 30.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.798 1.239 . . . . 0.0 113.891 -171.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.42 157.29 17.13 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.877 2.071 . . . . 0.0 110.544 164.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -84.52 136.49 33.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 162.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.12 40.69 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.089 0.796 . . . . 0.0 115.089 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.96 -22.7 67.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -91.06 -6.1 54.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.459 1.104 . . . . 0.0 113.301 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.444 -0.763 0 O-C-N 120.745 -1.222 . . . . 0.0 110.685 175.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -34.88 76.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.44 73.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.626 -0.671 . . . . 0.0 111.733 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.38 -33.45 75.88 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.335 1.054 . . . . 0.0 112.93 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.82 -26.95 68.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.72 -17.9 57.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.208 -0.933 . . . . 0.0 112.993 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.22 -13.0 23.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.097 1.759 . . . . 0.0 113.838 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -66.9 123.84 21.31 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.952 0.901 . . . . 0.0 110.434 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.9 p -91.54 -29.43 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -110.53 -6.28 14.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.266 1.426 . . . . 0.0 114.125 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.21 20.13 73.14 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 118.434 -1.203 . . . . 0.0 115.267 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -76.74 -2.72 34.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 119.293 1.547 . . . . 0.0 113.125 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 t30 67.85 23.39 8.44 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.451 1.9 . . . . 0.0 114.199 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.77 149.32 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.172 1.389 . . . . 0.0 111.387 166.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mm -94.37 120.74 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 164.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -146.88 170.64 16.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.271 1.428 . . . . 0.0 110.895 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.9 -17.56 17.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.28 -14.03 57.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -79.37 129.41 34.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.85 -1.156 . . . . 0.0 112.049 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.41 68.32 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.765 -1.21 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.62 -19.4 65.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -56.12 -35.43 67.08 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.741 -1.224 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.21 -20.04 63.97 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t -74.29 -24.99 59.33 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.131 0.973 . . . . 0.0 112.41 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -72.57 140.94 48.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.215 1.006 . . . . 0.0 113.42 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.29 172.33 12.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.321 2.648 . . . . 0.0 109.322 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.65 144.58 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.553 1.541 . . . . 0.0 109.857 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -121.9 125.65 46.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.022 1.329 . . . . 0.0 111.658 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -120.12 100.3 7.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.394 1.478 . . . . 0.0 108.949 172.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 119.63 11.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.723 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.22 -15.91 39.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.254 1.022 . . . . 0.0 113.575 -166.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.91 -7.99 11.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 171.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 59.56 65.2 1.19 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.565 2.346 . . . . 0.0 114.45 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -116.62 -12.78 10.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 168.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.87 11.02 82.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 119.12 0.873 . . . . 0.0 114.55 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.27 125.27 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.259 1.423 . . . . 0.0 107.529 168.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.11 145.98 27.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 119.002 0.819 . . . . 0.0 113.012 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -135.2 155.25 50.99 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 110.479 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.59 72.75 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -167.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.91 -10.13 59.2 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.36 -8.68 58.92 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 112.668 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.3 mt -89.45 152.62 21.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.183 1.393 . . . . 0.0 112.473 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.29 148.41 44.64 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.683 1.993 . . . . 0.0 110.366 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.4 p -71.12 165.2 24.05 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.4 1.08 . . . . 0.0 111.924 164.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.1 -31.17 71.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.58 0.752 . . . . 0.0 111.527 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.77 -42.88 69.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.478 1.111 . . . . 0.0 113.411 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.82 -13.83 61.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -100.29 -1.65 35.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.755 2.022 . . . . 0.0 112.642 170.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.95 34.53 89.16 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 124.915 1.245 . . . . 0.0 114.68 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.12 129.29 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.892 1.677 . . . . 0.0 108.52 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -101.51 -59.67 1.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.161 1.384 . . . . 0.0 111.4 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 p -150.69 157.91 43.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.349 1.059 . . . . 0.0 113.03 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.32 130.02 56.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.751 1.62 . . . . 0.0 109.428 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.65 121.94 32.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.367 1.067 . . . . 0.0 111.167 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.6 -4.57 59.2 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.22 102.66 11.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 119.436 1.016 . . . . 0.0 110.248 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -98.41 157.78 15.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.248 1.419 . . . . 0.0 112.622 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -123.63 142.67 50.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 127.374 2.269 . . . . 0.0 109.129 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.86 145.51 34.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.43 0.559 . . . . 0.0 110.923 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.94 -26.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 C-N-CA 125.093 1.357 . . . . 0.0 113.46 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 32.02 65.15 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 128.006 2.522 . . . . 0.0 114.577 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.48 148.39 42.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.948 1.299 . . . . 0.0 114.178 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -70.86 127.65 33.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 166.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.5 mt -81.91 -41.07 21.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.875 0.87 . . . . 0.0 110.815 171.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 162.04 157.58 9.02 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 126.108 1.813 . . . . 0.0 111.481 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 50.86 32.21 7.01 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.952 1.701 . . . . 0.0 114.732 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.84 2.02 89.77 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 124.96 1.267 . . . . 0.0 115.888 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -84.1 133.39 34.63 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 119.418 1.609 . . . . 0.0 109.433 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 91.2 m -142.43 125.76 16.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.536 -0.728 . . . . 0.0 111.975 -162.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.56 122.95 44.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 109.321 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.88 -47.62 7.49 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 121.432 -0.793 . . . . 0.0 112.817 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -131.52 152.11 51.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.69 1.196 . . . . 0.0 111.55 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -134.7 141.74 46.61 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.742 1.617 . . . . 0.0 110.899 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.34 -157.48 7.17 Favored Glycine 0 C--N 1.341 0.809 0 C-N-CA 128.446 2.927 . . . . 0.0 110.583 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 80.8 p -146.98 166.46 26.74 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -123.75 147.83 47.16 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.0 1.32 . . . . 0.0 110.023 165.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.2 m -95.85 138.43 33.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.467 1.507 . . . . 0.0 110.347 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -101.88 158.54 16.06 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 126.672 1.989 . . . . 0.0 111.669 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.3 p -63.53 -24.76 67.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.496 1.118 . . . . 0.0 113.599 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -78.77 -9.34 59.4 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 99.36 -1.79 57.41 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 126.011 1.767 . . . . 0.0 116.487 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -79.25 167.47 20.9 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 119.559 1.679 . . . . 0.0 112.414 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.8 p -120.54 152.78 37.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.439 1.096 . . . . 0.0 111.71 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.48 154.76 45.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.988 1.315 . . . . 0.0 112.386 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -71.85 154.1 41.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 123.171 1.462 . . . . 0.0 113.918 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -145.81 166.05 27.05 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.435 1.894 . . . . 0.0 110.047 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.56 -178.7 45.59 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.421 1.728 . . . . 0.0 117.421 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -102.78 106.17 16.72 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 128.006 2.523 . . . . 0.0 108.826 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.0 tp -129.13 116.48 19.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.912 1.285 . . . . 0.0 112.852 -158.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -82.32 119.19 23.81 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.45 1.1 . . . . 0.0 109.88 169.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 111.487 177.467 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.81 163.13 39.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.374 1.07 . . . . 0.0 113.628 -161.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.5 118.14 23.57 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 121.595 -0.691 . . . . 0.0 110.545 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.11 152.02 36.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.546 1.938 . . . . 0.0 113.859 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -123.41 140.27 53.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.261 2.224 . . . . 0.0 110.628 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -82.33 101.86 10.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.391 1.476 . . . . 0.0 110.428 169.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.53 -12.47 31.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -167.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -105.95 -14.75 15.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 120.304 1.411 . . . . 0.0 114.132 167.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.79 36.56 7.77 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 119.735 1.152 . . . . 0.0 115.614 170.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -127.33 16.04 7.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 119.275 1.537 . . . . 0.0 114.157 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.49 149.92 24.02 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 126.835 2.16 . . . . 0.0 113.603 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.31 132.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 124.326 1.051 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.47 166.4 25.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.1 p -138.2 162.28 34.67 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.723 1.209 . . . . 0.0 113.987 -165.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.89 163.66 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 127.22 2.208 . . . . 0.0 111.115 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 125.35 1.46 . . . . 0.0 111.791 167.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 114.003 0.361 . . . . 0.0 114.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -129.98 170.42 13.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.883 1.673 . . . . 0.0 112.9 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.63 136.27 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 120.521 -1.362 . . . . 0.0 110.729 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 t -55.94 147.19 20.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.95 -7.56 36.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -85.88 -5.54 59.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.731 1.151 . . . . 0.0 113.559 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -121.16 -173.09 2.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.174 3.39 . . . . 0.0 111.767 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.64 175.63 45.03 Favored Glycine 0 C--N 1.334 0.458 0 O-C-N 120.51 -1.369 . . . . 0.0 116.366 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -106.83 142.61 36.19 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.188 1.395 . . . . 0.0 112.786 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 tp -78.89 130.75 35.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.293 1.037 . . . . 0.0 111.092 171.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -146.92 160.19 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 124.905 1.282 . . . . 0.0 113.053 -166.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -142.77 134.23 26.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.673 1.989 . . . . 0.0 110.18 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.74 125.76 29.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 118.551 0.614 . . . . 0.0 111.063 168.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.514 -0.411 0 C-N-CA 125.857 1.663 . . . . 0.0 114.707 -175.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.72 1.29 0.58 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -128.45 148.68 50.74 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 110.6 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -30.91 78.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 -170.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.63 -7.29 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.49 -10.04 59.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 113.117 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.21 149.7 22.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 126.658 1.983 . . . . 0.0 110.622 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -70.6 146.61 49.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.51 -0.744 . . . . 0.0 110.35 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.25 -172.53 40.87 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 121.598 -0.689 . . . . 0.0 112.822 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.59 -32.9 67.63 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -83.07 1.65 39.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.45 -0.435 0 CA-C-N 119.538 1.063 . . . . 0.0 111.19 178.37 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -33.27 74.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.235 -0.916 . . . . 0.0 112.881 172.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.61 92.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 121.3 -0.875 . . . . 0.0 112.009 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.89 -38.07 89.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 123.932 0.893 . . . . 0.0 112.836 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.35 67.72 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.73 -12.34 60.97 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.19 0.996 . . . . 0.0 113.577 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.03 1.81 57.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.238 1.415 . . . . 0.0 113.698 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -74.11 117.02 15.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 120.803 -1.185 . . . . 0.0 109.851 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -75.63 -37.69 59.51 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.245 -0.909 . . . . 0.0 112.579 -172.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.47 -12.56 14.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.94 69.03 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 119.801 1.182 . . . . 0.0 115.091 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -69.5 -3.14 13.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.515 1.658 . . . . 0.0 113.698 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 72.77 21.08 3.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.668 1.987 . . . . 0.0 114.244 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.0 pt -132.23 149.51 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.919 1.287 . . . . 0.0 111.729 164.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -93.96 115.55 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 124.458 1.103 . . . . 0.0 108.1 168.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.42 172.52 13.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 125.1 1.36 . . . . 0.0 111.555 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -23.7 51.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 -12.12 60.7 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -80.42 144.41 32.65 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 113.447 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.11 79.94 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -173.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.55 -16.41 60.82 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -60.52 -35.16 75.32 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.463 1.483 . . . . 0.0 114.37 -164.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -71.19 -18.85 62.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 p -79.62 -18.31 51.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.72 -1.238 . . . . 0.0 114.321 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.06 141.75 52.78 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.311 -0.868 . . . . 0.0 112.353 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -139.3 167.37 22.22 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.562 1.945 . . . . 0.0 110.362 168.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -129.24 134.28 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 109.189 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -109.95 123.4 49.56 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.187 1.395 . . . . 0.0 111.493 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -127.4 99.3 5.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.391 1.876 . . . . 0.0 110.764 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.48 135.1 33.9 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.958 1.303 . . . . 0.0 113.93 -168.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.0 mt -90.36 -32.63 16.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -116.01 -4.13 12.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 59.14 38.86 23.57 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.414 1.886 . . . . 0.0 114.614 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -91.04 -6.49 53.79 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 120.331 -1.481 . . . . 0.0 114.383 -176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 90.16 6.53 68.9 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 124.993 1.282 . . . . 0.0 115.783 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.59 146.57 32.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 C-N-CA 126.715 2.006 . . . . 0.0 109.188 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.1 p -92.93 154.84 17.95 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -121.88 159.63 26.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.148 1.779 . . . . 0.0 110.672 166.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.99 -21.17 64.62 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -73.48 -32.62 64.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.626 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -81.36 -8.97 59.82 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.953 1.701 . . . . 0.0 113.333 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.94 126.46 50.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.864 1.266 . . . . 0.0 111.5 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -125.39 149.74 47.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.443 1.897 . . . . 0.0 111.301 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.0 p -86.7 160.76 18.74 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.04 1.336 . . . . 0.0 111.815 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.31 -38.77 81.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.188 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.56 -36.71 84.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 174.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -64.75 -27.48 68.93 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.405 -1.434 . . . . 0.0 111.941 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 74.4 mt -92.97 1.97 57.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.246 1.818 . . . . 0.0 113.3 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.19 15.96 66.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.363 1.459 . . . . 0.0 115.62 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 60.3 mt -78.96 129.13 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 125.806 1.642 . . . . 0.0 109.865 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -100.43 -36.1 9.33 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.526 1.53 . . . . 0.0 112.367 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -160.45 160.83 32.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.907 -1.121 . . . . 0.0 113.456 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.77 133.65 53.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.362 1.865 . . . . 0.0 109.662 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -87.88 136.66 32.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.686 1.195 . . . . 0.0 111.975 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.81 -0.97 38.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.122 1.369 . . . . 0.0 114.016 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.93 75.04 7.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.454 1.101 . . . . 0.0 110.711 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -95.71 165.08 12.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.602 1.161 . . . . 0.0 112.894 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.41 142.39 50.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.489 1.916 . . . . 0.0 110.432 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.05 129.44 36.08 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.986 0.812 . . . . 0.0 109.578 168.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.52 -25.92 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 117.544 -1.217 . . . . 0.0 113.352 -171.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 45.53 45.9 10.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 113.15 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.46 130.81 35.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.576 1.95 . . . . 0.0 111.392 -161.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -78.44 131.54 36.95 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 124.34 1.056 . . . . 0.0 110.128 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.98 5.98 19.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.245 1.418 . . . . 0.0 112.944 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 155.17 31.53 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.4 1.476 . . . . 0.0 114.152 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 53.09 34.06 16.4 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.232 1.813 . . . . 0.0 113.808 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.76 9.23 85.79 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.4 1.476 . . . . 0.0 115.579 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -88.41 136.11 33.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 119.429 1.614 . . . . 0.0 110.528 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.24 129.85 25.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.928 0.491 . . . . 0.0 111.843 -171.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.25 114.8 28.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.297 1.439 . . . . 0.0 110.155 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.85 -60.8 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.044 0.938 . . . . 0.0 112.524 -172.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.005 1.322 . . . . 0.0 112.753 174.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -134.66 138.78 44.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.136 1.774 . . . . 0.0 111.844 -160.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -147.82 -152.99 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.992 2.234 . . . . 0.0 111.507 171.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -141.95 166.53 24.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.127 1.371 . . . . 0.0 113.582 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -123.06 155.73 36.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.084 1.354 . . . . 0.0 110.543 164.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 79.2 m -112.14 140.37 46.89 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.172 1.789 . . . . 0.0 110.883 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -101.56 160.75 14.18 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 125.973 1.709 . . . . 0.0 113.644 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -27.69 66.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -78.06 4.4 12.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.45 0.29 89.35 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.457 1.503 . . . . 0.0 116.048 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.2 p -77.43 158.26 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 119.303 1.552 . . . . 0.0 112.853 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 28.1 p -123.79 155.45 37.93 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.07 166.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.85 161.15 40.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.939 1.296 . . . . 0.0 111.12 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -79.1 153.01 30.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.504 1.122 . . . . 0.0 113.875 -167.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.5 ptm -149.96 158.88 44.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.738 1.615 . . . . 0.0 110.923 172.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.17 175.02 44.1 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 120.891 -1.131 . . . . 0.0 114.994 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.21 109.25 16.33 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.23 1.412 . . . . 0.0 109.131 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.39 130.75 56.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.994 1.718 . . . . 0.0 111.926 -165.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.0 tp -95.91 120.55 36.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.874 1.27 . . . . 0.0 109.987 166.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 123.412 0.685 . . . . 0.0 109.493 170.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.94 166.12 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.029 0.932 . . . . 0.0 113.29 -162.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.46 131.81 46.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.876 1.271 . . . . 0.0 109.868 163.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.53 49.43 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.934 1.294 . . . . 0.0 112.726 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.35 137.32 53.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.241 2.216 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -81.33 103.07 10.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.205 1.802 . . . . 0.0 111.035 171.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.45 -14.42 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -110.97 -8.74 14.46 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.74 24.46 25.51 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 165.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -119.36 13.75 12.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.926 1.29 . . . . 0.0 113.96 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.28 150.41 19.61 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 126.011 1.767 . . . . 0.0 113.249 -174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -71.75 126.49 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 109.154 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -121.02 152.04 39.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.808 1.243 . . . . 0.0 114.306 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 p -138.86 164.57 29.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.106 1.763 . . . . 0.0 112.794 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.03 167.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 127.545 2.338 . . . . 0.0 111.874 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 O-C-N 121.604 -0.685 . . . . 0.0 110.471 153.677 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -153.71 172.08 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.63 1.172 . . . . 0.0 111.893 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.37 150.52 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 t -62.65 155.5 26.04 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.182 0.993 . . . . 0.0 113.208 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -18.33 63.0 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -87.28 -9.84 53.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.438 1.095 . . . . 0.0 113.919 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -115.88 -179.4 3.65 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 127.287 2.235 . . . . 0.0 112.23 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.71 161.44 32.28 Favored Glycine 0 N--CA 1.449 -0.472 0 O-C-N 120.347 -1.47 . . . . 0.0 116.014 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -95.18 143.82 26.29 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.283 1.433 . . . . 0.0 112.275 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.7 tp -82.72 125.33 31.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.766 0.826 . . . . 0.0 110.664 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.93 163.61 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.643 1.177 . . . . 0.0 113.444 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -147.12 138.0 23.74 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -80.61 128.6 33.8 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.448 -0.563 0 C-N-CA 126.284 1.834 . . . . 0.0 114.684 -177.159 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.272 0.558 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -136.2 -25.85 1.18 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -168.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -95.88 146.32 24.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 0.0 111.821 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.0 59.81 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 -6.18 58.51 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 119.391 1.595 . . . . 0.0 114.358 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.73 -3.4 58.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.59 143.82 30.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.129 1.771 . . . . 0.0 110.77 170.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.12 106.13 9.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.009 -1.057 . . . . 0.0 111.862 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.52 -161.26 25.14 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 124.793 1.187 . . . . 0.0 112.368 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.79 8.39 1.98 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -123.13 -8.69 8.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.831 1.652 . . . . 0.0 115.076 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -171.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 118.511 -0.756 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.88 81.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.786 1.176 . . . . 0.0 111.755 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -32.55 73.92 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.12 -41.21 64.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.261 1.025 . . . . 0.0 112.18 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.95 66.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.47 -34.8 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 118.515 0.598 . . . . 0.0 112.169 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -83.12 0.58 44.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 125.123 1.369 . . . . 0.0 114.323 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -79.2 103.44 9.14 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.194 0.997 . . . . 0.0 110.845 173.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -76.52 -25.08 53.77 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.246 1.419 . . . . 0.0 114.113 -166.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -111.25 -13.86 13.91 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 126.42 1.888 . . . . 0.0 114.692 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.28 60.11 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 120.277 1.399 . . . . 0.0 114.668 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -78.51 0.11 27.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 118.97 1.385 . . . . 0.0 113.533 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.263 7.0 t30 73.2 22.16 2.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.863 2.465 . . . . 0.0 114.361 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.0 pt -138.03 155.56 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.334 1.453 . . . . 0.0 111.761 168.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.1 mm -102.22 120.26 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 168.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.36 173.11 13.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.93 1.692 . . . . 0.0 112.15 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.86 60.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.5 -17.61 60.73 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 171.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -80.93 139.51 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.428 1.491 . . . . 0.0 111.953 166.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.84 73.06 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.54 -21.97 63.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.05 -29.33 65.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.899 -1.125 . . . . 0.0 113.269 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.69 -24.13 36.41 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -100.29 -25.53 14.21 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 120.346 1.43 . . . . 0.0 114.266 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.35 147.15 51.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.148 1.379 . . . . 0.0 112.342 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -138.03 158.38 44.43 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.143 1.377 . . . . 0.0 111.967 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.75 132.64 59.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.943 1.297 . . . . 0.0 108.742 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -103.45 117.51 34.62 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 124.681 1.192 . . . . 0.0 110.567 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -115.56 101.64 9.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.747 1.619 . . . . 0.0 110.009 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -94.66 82.33 3.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.525 -172.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -66.36 -18.44 65.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -3.39 47.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.075 0.852 . . . . 0.0 113.113 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 59.07 52.66 6.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.551 1.94 . . . . 0.0 113.994 160.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -120.58 -15.4 8.48 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.99 13.48 83.63 Favored Glycine 0 C--N 1.34 0.751 0 O-C-N 121.003 -1.061 . . . . 0.0 114.545 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.99 126.3 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.608 1.563 . . . . 0.0 109.386 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -76.94 139.53 40.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.601 0.76 . . . . 0.0 113.01 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -143.41 149.54 37.79 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.418 1.887 . . . . 0.0 109.927 168.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.6 72.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -67.59 -10.04 48.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 114.076 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -100.01 -2.86 33.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.475 1.51 . . . . 0.0 113.95 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.4 mt -98.11 127.69 44.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.045 1.338 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -125.31 148.23 48.8 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.22 1.808 . . . . 0.0 112.13 -169.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.4 p -75.66 163.03 27.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.301 1.04 . . . . 0.0 112.379 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.54 -40.47 76.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.212 -0.93 . . . . 0.0 111.604 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.16 -27.69 59.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.61 -23.55 62.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 120.429 1.468 . . . . 0.0 113.086 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.03 -1.28 57.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.145 1.778 . . . . 0.0 112.518 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.76 27.28 73.64 Favored Glycine 0 CA--C 1.527 0.805 0 O-C-N 121.153 -0.967 . . . . 0.0 113.336 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.9 mt -80.26 128.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 119.097 1.449 . . . . 0.0 108.697 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.45 -39.55 8.3 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.974 0.91 . . . . 0.0 111.762 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.4 p -158.28 159.14 35.63 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.71 138.57 38.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.242 1.417 . . . . 0.0 110.583 168.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -88.22 137.04 32.68 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.805 0.842 . . . . 0.0 111.642 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.57 12.86 30.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.672 1.189 . . . . 0.0 113.195 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.32 137.51 43.0 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.795 2.038 . . . . 0.0 113.086 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -153.76 167.46 29.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.196 1.798 . . . . 0.0 113.095 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -132.23 151.81 51.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.377 2.271 . . . . 0.0 111.577 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.39 133.2 41.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.208 1.003 . . . . 0.0 112.212 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -133.8 -32.47 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.8 m120 47.78 71.64 0.32 Allowed 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.501 1.92 . . . . 0.0 114.498 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -126.31 119.21 26.77 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.346 1.458 . . . . 0.0 111.725 -175.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.25 142.22 43.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 121.139 -0.975 . . . . 0.0 110.905 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.84 15.4 16.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 126.582 1.953 . . . . 0.0 113.256 -171.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 69.92 178.89 23.73 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 120.75 -1.219 . . . . 0.0 113.358 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 53.57 20.44 2.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.709 2.003 . . . . 0.0 115.186 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.38 1.68 88.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.075 1.322 . . . . 0.0 115.869 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -91.81 135.19 34.1 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.602 1.701 . . . . 0.0 111.649 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 94.3 m -138.5 137.35 37.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.056 -1.028 . . . . 0.0 111.7 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.0 tt -107.66 120.57 42.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.497 1.919 . . . . 0.0 110.28 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.62 -50.26 6.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.62 147.33 48.59 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.899 1.279 . . . . 0.0 111.125 -171.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -133.38 136.14 45.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.725 1.21 . . . . 0.0 111.977 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.26 -154.54 7.27 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 127.956 2.693 . . . . 0.0 110.425 172.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -134.04 167.88 19.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.794 1.237 . . . . 0.0 113.914 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -132.67 156.64 46.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 110.693 158.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 91.5 m -101.62 132.59 47.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.157 1.383 . . . . 0.0 111.024 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -96.97 147.31 24.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.495 1.918 . . . . 0.0 110.548 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.2 p -61.25 -23.98 66.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -72.33 -1.37 15.17 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 97.53 -7.25 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.223 1.868 . . . . 0.0 115.685 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 37.0 p -93.45 176.18 6.48 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.358 1.079 . . . . 0.0 112.657 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -129.38 154.03 47.31 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -138.13 157.82 45.55 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.838 1.255 . . . . 0.0 112.195 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -75.9 144.48 41.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.05 0.94 . . . . 0.0 112.644 -172.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.0 ptm -143.22 161.65 37.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.059 1.344 . . . . 0.0 110.975 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.96 172.99 44.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.11 114.73 23.98 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 127.669 2.388 . . . . 0.0 111.6 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.16 145.01 46.35 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 126.098 1.759 . . . . 0.0 111.494 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 64.0 tp -109.9 124.99 52.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.821 1.648 . . . . 0.0 108.157 163.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.517 -0.303 0 C-N-CA 125.182 1.393 . . . . 0.0 111.607 -175.611 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.86 15.42 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -166.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.57 127.38 53.58 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.976 1.711 . . . . 0.0 110.076 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.38 149.24 40.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.489 1.916 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.04 138.63 52.72 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.583 1.953 . . . . 0.0 110.572 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -80.77 88.22 5.82 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.414 1.886 . . . . 0.0 110.829 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.91 -21.21 44.2 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 120.456 -1.403 . . . . 0.0 114.462 -165.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -101.59 -3.54 28.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 171.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.81 16.08 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 168.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -135.69 18.53 3.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.882 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 155.94 24.33 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 126.716 2.103 . . . . 0.0 113.78 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 132.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.938 1.295 . . . . 0.0 109.276 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.64 154.68 35.82 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.558 1.543 . . . . 0.0 112.931 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.1 p -133.22 173.03 11.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 112.62 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.24 170.61 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 126.378 1.871 . . . . 0.0 111.024 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.409 0 O-C-N 120.998 -1.064 . . . . 0.0 112.164 161.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.836 0 CA-C-O 121.532 0.518 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -143.14 171.57 13.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.821 1.648 . . . . 0.0 112.498 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.6 141.28 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 110.873 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.7 t -64.11 155.51 31.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.612 0.765 . . . . 0.0 112.902 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.68 -28.28 60.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -85.59 -8.14 58.45 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.99 1.716 . . . . 0.0 114.547 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -121.1 -173.21 2.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.928 2.491 . . . . 0.0 112.467 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.06 166.72 38.88 Favored Glycine 0 N--CA 1.447 -0.576 0 O-C-N 121.114 -0.991 . . . . 0.0 115.122 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.83 141.5 28.56 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.971 1.309 . . . . 0.0 112.113 177.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.52 127.39 32.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.643 0.377 . . . . 0.0 109.987 166.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -142.4 160.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 112.626 -169.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -149.56 119.19 6.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.519 1.127 . . . . 0.0 109.222 166.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.08 128.39 36.35 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 170.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -167.659 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -141.14 -23.55 0.75 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -95.19 144.75 25.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 119.854 1.206 . . . . 0.0 110.718 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -23.6 46.9 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 115.151 0.82 . . . . 0.0 115.151 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.4 -15.58 60.92 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -84.53 -7.95 59.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.126 1.37 . . . . 0.0 113.682 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.11 171.37 15.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.313 1.445 . . . . 0.0 110.767 160.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -95.86 107.04 19.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 156.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.49 -179.95 39.53 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.99 1.281 . . . . 0.0 112.292 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -71.94 7.12 1.72 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -175.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -120.83 9.98 10.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 127.191 2.196 . . . . 0.0 113.0 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 N--CA 1.447 -0.601 0 C-N-CA 126.76 2.024 . . . . 0.0 112.948 -175.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.74 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.164 -0.96 . . . . 0.0 112.996 173.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.34 67.73 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 169.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.37 -41.92 17.63 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.081 1.352 . . . . 0.0 112.277 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.22 67.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.285 1.034 . . . . 0.0 113.766 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -56.53 -21.25 24.89 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.934 2.494 . . . . 0.0 114.667 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.33 -8.75 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -65.48 129.05 38.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.153 -0.967 . . . . 0.0 111.167 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -92.2 -33.04 14.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.605 1.962 . . . . 0.0 115.884 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -112.0 -12.63 13.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.391 1.476 . . . . 0.0 114.066 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.59 38.41 24.47 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 119.916 1.235 . . . . 0.0 114.127 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -94.93 1.31 55.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.471 1.108 . . . . 0.0 112.884 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.0 t30 61.69 25.82 15.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 128.353 2.661 . . . . 0.0 114.982 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.32 153.46 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 124.531 1.132 . . . . 0.0 111.792 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -102.9 114.81 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 123.903 0.881 . . . . 0.0 108.639 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -144.57 169.77 17.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.779 1.632 . . . . 0.0 111.8 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -17.66 59.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -168.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.8 -18.07 58.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -70.75 126.18 28.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 119.746 1.157 . . . . 0.0 111.243 167.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.84 68.72 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.773 -1.204 . . . . 0.0 113.927 -172.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.8 65.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.693 -1.254 . . . . 0.0 114.223 -168.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -66.09 -22.45 66.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.659 1.118 . . . . 0.0 113.818 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -85.15 -17.02 38.5 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -75.27 139.32 42.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.549 0.74 . . . . 0.0 111.08 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -135.29 166.21 23.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.617 1.167 . . . . 0.0 111.744 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.0 136.04 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.542 1.137 . . . . 0.0 109.558 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -107.99 106.23 16.38 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.691 1.596 . . . . 0.0 110.619 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.34 100.29 9.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.865 1.266 . . . . 0.0 108.547 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -68.02 131.11 44.87 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.341 0.656 . . . . 0.0 110.568 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.4 -27.15 38.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -116.78 -5.04 11.57 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 56.37 48.55 16.78 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.859 2.063 . . . . 0.0 114.623 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -97.86 -12.5 22.07 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.63 16.44 77.76 Favored Glycine 0 C--N 1.331 0.305 0 O-C-N 120.974 -1.079 . . . . 0.0 113.908 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.98 128.43 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 161.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -86.18 147.9 25.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.819 0.448 . . . . 0.0 111.532 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -134.19 149.89 51.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.329 1.052 . . . . 0.0 110.049 171.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.21 69.83 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.309 1.044 . . . . 0.0 112.392 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.61 -22.5 66.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.5 -1.17 57.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.172 1.389 . . . . 0.0 113.369 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.73 142.52 35.31 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 112.226 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -142.62 151.76 41.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.829 1.652 . . . . 0.0 111.263 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -78.31 161.57 27.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.529 0.732 . . . . 0.0 111.556 168.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.35 -36.67 81.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.835 -1.166 . . . . 0.0 112.468 -170.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 -15.92 60.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.57 -32.81 68.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 120.365 1.439 . . . . 0.0 111.586 166.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.26 -6.53 56.73 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.125 1.37 . . . . 0.0 114.106 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.4 18.89 78.83 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 124.057 0.837 . . . . 0.0 114.739 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -80.03 121.35 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 118.518 1.159 . . . . 0.0 108.608 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -89.43 -49.07 6.91 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.061 0.944 . . . . 0.0 112.188 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 81.3 p -156.72 157.33 34.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.8 mt -106.88 147.01 30.3 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.51 1.924 . . . . 0.0 109.824 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -93.51 138.24 31.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 124.135 0.974 . . . . 0.0 111.98 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.7 mt -94.55 -10.74 31.19 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.273 1.029 . . . . 0.0 113.59 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.26 130.82 34.52 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.443 1.097 . . . . 0.0 111.534 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -148.94 164.62 34.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.736 1.214 . . . . 0.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -128.16 151.19 49.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.268 2.627 . . . . 0.0 110.057 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.85 132.43 40.34 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.934 0.894 . . . . 0.0 111.965 172.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.4 -29.62 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 124.975 1.31 . . . . 0.0 113.385 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 m120 46.12 55.62 7.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.612 1.965 . . . . 0.0 114.47 170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.45 136.44 53.79 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.444 1.898 . . . . 0.0 112.227 -161.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -81.07 136.24 35.92 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.907 1.283 . . . . 0.0 111.273 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.4 15.8 20.14 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.153 1.781 . . . . 0.0 114.228 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 76.62 168.21 27.61 Favored Glycine 0 CA--C 1.527 0.812 0 O-C-N 121.156 -0.965 . . . . 0.0 113.165 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.3 m120 49.18 22.02 0.59 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.581 1.952 . . . . 0.0 116.097 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.77 7.33 84.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 126.1 1.809 . . . . 0.0 115.791 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -85.75 144.74 27.6 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.676 1.738 . . . . 0.0 111.944 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -139.99 130.84 26.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.049 0.939 . . . . 0.0 112.582 -172.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 31.0 tp -104.43 119.24 38.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 126.5 1.92 . . . . 0.0 110.323 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.6 -56.08 3.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.42 1.088 . . . . 0.0 112.19 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -136.74 150.79 48.61 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.943 1.697 . . . . 0.0 111.565 -171.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -139.92 137.9 35.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.849 1.259 . . . . 0.0 112.869 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.1 -152.26 6.0 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 128.203 2.811 . . . . 0.0 110.415 170.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.6 m -138.0 166.63 23.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -137.5 162.06 34.7 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.516 1.126 . . . . 0.0 110.953 166.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 93.6 m -120.66 138.64 53.83 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.255 1.822 . . . . 0.0 111.861 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -98.21 159.74 14.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.15 1.38 . . . . 0.0 111.923 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.8 p -65.28 -17.5 64.56 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -82.42 -4.86 58.14 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 170.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.58 69.8 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 125.621 1.581 . . . . 0.0 115.109 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 67.7 p -73.79 152.65 40.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.757 1.779 . . . . 0.0 111.834 173.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.2 p -126.48 153.44 45.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.647 1.179 . . . . 0.0 111.925 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.42 168.48 25.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.188 1.395 . . . . 0.0 111.461 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -74.62 155.46 37.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.79 158.56 43.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.091 0.957 . . . . 0.0 109.869 158.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.22 166.86 39.99 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 117.168 1.627 . . . . 0.0 117.168 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -84.53 108.89 17.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.347 2.259 . . . . 0.0 110.712 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.48 137.59 54.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.549 1.54 . . . . 0.0 110.754 -166.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -113.42 107.09 15.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.241 1.816 . . . . 0.0 108.958 173.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.326 -0.447 0 C-N-CA 123.162 0.585 . . . . 0.0 111.112 177.193 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.8 173.01 14.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 127.609 2.364 . . . . 0.0 112.306 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 tp -121.49 127.32 50.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.609 1.564 . . . . 0.0 107.953 164.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.06 153.9 51.89 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.8 1.24 . . . . 0.0 113.572 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -113.07 139.3 48.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.103 1.761 . . . . 0.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.38 106.08 13.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.932 0.893 . . . . 0.0 109.362 166.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.22 -29.68 18.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -97.3 -11.5 24.01 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 114.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.34 40.95 5.62 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 170.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -137.08 20.19 3.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 113.789 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 154.32 30.28 Favored Glycine 0 C--N 1.341 0.819 0 C-N-CA 126.166 1.841 . . . . 0.0 112.619 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mt -71.52 130.52 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 121.425 -1.044 . . . . 0.0 109.509 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -119.95 151.19 39.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.379 1.071 . . . . 0.0 113.073 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.6 p -140.8 158.06 44.5 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.523 1.529 . . . . 0.0 112.29 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 m -140.49 155.27 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.992 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 122.955 0.502 . . . . 0.0 110.824 165.097 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 120.797 0.109 . . . . 0.0 113.097 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -153.76 171.67 18.53 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.829 1.251 . . . . 0.0 112.047 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.77 137.22 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 125.92 1.688 . . . . 0.0 110.577 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -61.4 156.99 17.78 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 113.743 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -9.14 36.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -172.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.72 -13.72 31.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.72 1.608 . . . . 0.0 113.539 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -119.13 176.42 5.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.551 2.341 . . . . 0.0 111.798 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.04 159.77 30.26 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.334 -1.479 . . . . 0.0 116.217 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -88.3 142.07 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.023 1.729 . . . . 0.0 111.31 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.8 tp -80.34 128.49 33.61 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.284 1.033 . . . . 0.0 109.997 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 m -147.48 160.8 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.325 1.45 . . . . 0.0 112.725 -167.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -144.7 133.75 22.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.068 1.747 . . . . 0.0 111.499 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -79.05 126.33 30.56 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.006 0.523 . . . . 0.0 110.644 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 124.799 1.239 . . . . 0.0 114.102 -176.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.77 3.5 0.47 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -135.22 144.49 46.95 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.924 1.29 . . . . 0.0 110.71 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.04 59.93 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -15.87 63.36 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.6 -3.95 58.14 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.601 1.561 . . . . 0.0 113.676 -175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.49 161.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.358 1.863 . . . . 0.0 110.425 167.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.28 141.22 29.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.737 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.88 -158.13 28.69 Favored Glycine 0 C--N 1.342 0.865 0 O-C-N 121.703 -0.623 . . . . 0.0 114.553 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.31 -19.2 63.88 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.21 -16.24 47.27 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.993 -1.067 . . . . 0.0 112.45 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 CA--C 1.515 -0.403 0 CA-C-N 119.788 1.176 . . . . 0.0 111.874 -177.5 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 123.083 1.42 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.68 69.23 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -161.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.65 66.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.82 -27.37 21.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.768 0.827 . . . . 0.0 112.621 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.48 66.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.93 -17.41 63.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.07 -12.75 19.42 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.44 -1.413 . . . . 0.0 114.672 -167.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.57 127.7 33.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.187 0.995 . . . . 0.0 110.992 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.2 p -82.03 -44.92 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.319 1.048 . . . . 0.0 113.631 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -108.76 -8.87 15.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 125.585 1.554 . . . . 0.0 114.276 -166.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.56 28.43 57.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 118.889 -0.951 . . . . 0.0 114.574 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -81.73 -3.21 53.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.059 1.43 . . . . 0.0 112.47 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.4 t30 68.82 22.8 7.11 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.666 1.986 . . . . 0.0 114.877 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.64 150.52 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 111.844 170.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.7 mm -98.98 110.01 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 171.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -139.24 172.66 12.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.053 0.941 . . . . 0.0 112.109 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.65 -16.05 9.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.87 -25.35 43.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.54 140.32 48.07 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 119.98 1.264 . . . . 0.0 112.072 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.98 73.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 120.863 -1.148 . . . . 0.0 112.869 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.11 -23.9 56.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.52 -30.87 71.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.331 0.969 . . . . 0.0 112.384 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -82.65 -15.28 52.64 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 123.822 0.849 . . . . 0.0 113.243 173.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -93.64 -32.09 14.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.829 1.252 . . . . 0.0 113.55 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.32 150.36 41.93 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.473 1.109 . . . . 0.0 112.251 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -135.01 166.42 23.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.282 1.433 . . . . 0.0 110.726 172.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.6 129.15 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.069 1.348 . . . . 0.0 109.329 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -105.97 123.45 48.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.392 1.077 . . . . 0.0 111.651 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -124.05 99.19 6.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.885 2.074 . . . . 0.0 109.379 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.61 125.55 34.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.145 0.978 . . . . 0.0 111.395 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.64 -14.78 41.68 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -172.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -117.53 -11.88 10.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.05 1.34 . . . . 0.0 114.55 171.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 54.33 52.5 12.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 127.475 2.31 . . . . 0.0 113.786 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -107.69 7.75 28.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.21 1.404 . . . . 0.0 113.604 -174.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.71 6.7 88.39 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.345 -1.253 . . . . 0.0 115.739 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.5 mt -119.37 128.84 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.981 1.391 . . . . 0.0 109.052 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -101.03 157.46 16.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.021 1.328 . . . . 0.0 112.766 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -143.74 158.5 43.64 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 126.442 1.897 . . . . 0.0 109.524 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.22 70.01 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.596 -1.315 . . . . 0.0 113.276 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -69.5 -17.78 63.63 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 171.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -96.22 -11.74 25.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.556 1.142 . . . . 0.0 113.501 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -90.03 150.4 22.12 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 0.0 111.212 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -135.22 152.75 51.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.659 1.984 . . . . 0.0 110.371 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.8 p -82.71 158.55 22.86 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.386 1.475 . . . . 0.0 111.174 163.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.84 -37.35 84.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.1 -1.0 . . . . 0.0 111.392 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.44 -46.43 88.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.89 1.676 . . . . 0.0 113.655 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.72 -20.45 61.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -80.85 7.88 9.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.354 . . . . 0.0 112.199 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.47 70.65 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.06 -1.025 . . . . 0.0 113.819 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 49.4 mt -78.02 143.44 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.172 1.486 . . . . 0.0 108.885 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -121.4 -35.6 3.23 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.779 1.232 . . . . 0.0 111.843 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -146.22 158.09 43.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.275 1.43 . . . . 0.0 112.537 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.56 144.3 51.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 127.033 2.133 . . . . 0.0 109.752 169.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -77.79 148.27 34.86 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.42 0.628 . . . . 0.0 112.565 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.27 -10.64 27.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.386 1.075 . . . . 0.0 111.674 162.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.7 131.51 35.2 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.67 1.188 . . . . 0.0 113.025 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.23 173.06 8.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 127.204 2.202 . . . . 0.0 112.621 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -140.77 141.21 34.85 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.339 2.256 . . . . 0.0 109.864 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -78.9 123.66 27.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.172 0.896 . . . . 0.0 111.58 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 -30.23 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 52.82 52.81 13.21 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 124.906 1.282 . . . . 0.0 114.313 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.81 153.84 22.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.757 2.023 . . . . 0.0 114.102 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -96.21 133.83 40.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.096 1.358 . . . . 0.0 113.123 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.49 2.3 17.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.882 1.273 . . . . 0.0 113.453 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.45 165.39 39.37 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 114.343 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 50.02 27.36 2.43 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 115.15 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.81 -0.18 72.95 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 125.759 1.647 . . . . 0.0 115.592 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -87.94 137.5 32.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.513 1.657 . . . . 0.0 112.411 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.9 m -131.4 128.37 39.42 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.674 1.19 . . . . 0.0 112.168 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.1 105.27 17.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.369 1.868 . . . . 0.0 109.2 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.35 9.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.371 -0.831 . . . . 0.0 112.492 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -137.43 146.48 44.43 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.899 1.28 . . . . 0.0 112.045 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.76 137.53 54.89 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 126.216 1.807 . . . . 0.0 111.133 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.51 -164.17 11.06 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 126.647 2.07 . . . . 0.0 111.601 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.4 t -138.78 151.08 46.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.222 -1.163 . . . . 0.0 113.241 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -123.93 157.18 34.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.769 1.228 . . . . 0.0 112.317 164.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.7 m -121.24 130.32 53.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.603 1.561 . . . . 0.0 110.192 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -90.55 164.2 14.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.71 1.204 . . . . 0.0 112.271 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.4 p -61.66 -25.99 67.73 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -77.43 9.21 3.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.026 1.33 . . . . 0.0 114.202 171.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.66 -11.01 58.08 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.508 2.004 . . . . 0.0 115.518 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 36.6 p -85.39 155.72 21.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.173 1.389 . . . . 0.0 113.438 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.6 p -105.55 155.71 18.93 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.176 1.391 . . . . 0.0 113.422 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.95 158.94 44.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 112.076 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -89.61 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -166.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.48 160.74 41.71 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.902 1.281 . . . . 0.0 112.108 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.78 167.91 40.33 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 117.561 1.784 . . . . 0.0 117.561 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -92.51 109.35 20.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.429 2.291 . . . . 0.0 110.248 -172.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.59 113.61 27.23 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.393 1.477 . . . . 0.0 111.192 -172.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 55.9 tp -83.74 106.17 15.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 165.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.444 -0.772 0 C-N-CA 123.853 0.861 . . . . 0.0 110.322 -176.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.34 168.38 24.96 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 122.732 0.413 . . . . 0.0 111.907 -176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -102.12 125.53 48.83 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 107.851 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.74 144.67 43.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.178 1.391 . . . . 0.0 111.37 -176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -114.43 135.42 54.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.32 1.848 . . . . 0.0 110.817 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -76.42 105.85 7.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.002 1.321 . . . . 0.0 109.309 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.77 -27.15 20.2 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -171.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -105.38 -5.87 20.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.21 31.15 9.28 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 117.056 1.583 . . . . 0.0 117.056 166.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -125.84 20.59 7.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.278 1.539 . . . . 0.0 113.693 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.12 160.32 35.94 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 126.581 2.039 . . . . 0.0 113.36 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.59 131.13 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.854 1.262 . . . . 0.0 109.277 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -129.82 150.36 51.15 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.214 1.405 . . . . 0.0 112.247 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -135.15 156.57 48.77 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.98 132.81 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 127.502 2.321 . . . . 0.0 109.844 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 -176.188 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.863 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.26 172.44 12.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.217 1.407 . . . . 0.0 112.919 -163.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.1 m -72.06 152.7 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 120.571 -1.33 . . . . 0.0 112.797 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -57.26 155.56 8.68 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.454 1.502 . . . . 0.0 112.243 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -19.48 57.44 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.34 -24.28 34.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.47 176.58 5.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.42 1.888 . . . . 0.0 112.756 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.78 33.26 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 121.432 -0.793 . . . . 0.0 114.71 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.16 136.5 48.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.186 1.395 . . . . 0.0 111.289 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.2 127.67 32.62 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.341 1.056 . . . . 0.0 110.253 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -149.33 166.27 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.064 1.346 . . . . 0.0 111.763 -168.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -149.65 144.1 25.93 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.794 0.838 . . . . 0.0 111.757 161.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -76.92 120.3 21.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.353 0.661 . . . . 0.0 111.365 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.445 -0.714 0 C-N-CA 125.796 1.639 . . . . 0.0 113.896 -176.447 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -121.04 -6.98 9.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -171.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -131.36 147.06 52.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.631 1.172 . . . . 0.0 112.216 173.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.99 57.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.22 -17.44 61.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.766 1.283 . . . . 0.0 114.278 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.78 -17.02 61.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.46 1.104 . . . . 0.0 112.789 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.65 144.04 25.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.366 1.466 . . . . 0.0 110.248 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.2 112.39 10.3 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.524 0.329 . . . . 0.0 110.746 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.29 -172.63 38.3 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.682 1.134 . . . . 0.0 112.532 -172.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.07 -10.02 45.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -118.11 15.36 14.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.854 1.661 . . . . 0.0 114.124 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.557 0 C-N-CA 124.928 1.291 . . . . 0.0 113.732 -175.576 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 p90 . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.3 86.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.791 0.723 . . . . 0.0 112.678 169.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.9 93.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.359 1.064 . . . . 0.0 111.895 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.29 -36.89 84.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.281 -0.887 . . . . 0.0 112.562 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.94 -16.66 64.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -73.66 -27.95 61.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.471 1.032 . . . . 0.0 112.172 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.48 -14.45 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.285 1.434 . . . . 0.0 113.83 -177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.37 113.13 3.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.297 1.039 . . . . 0.0 112.178 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -73.77 -17.36 61.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -110.38 -23.65 11.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -165.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.22 35.02 35.18 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 118.813 0.733 . . . . 0.0 113.95 -168.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -105.28 -12.48 16.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.188 1.395 . . . . 0.0 113.135 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.63 26.83 15.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 127.396 2.278 . . . . 0.0 114.253 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.4 pt -129.02 153.37 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.336 1.454 . . . . 0.0 111.093 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.52 120.48 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 124.217 1.007 . . . . 0.0 109.681 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -149.65 175.5 11.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.477 1.511 . . . . 0.0 111.586 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 -17.85 14.24 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -173.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.27 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 120.854 -1.154 . . . . 0.0 113.056 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.8 123.47 27.74 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.813 1.245 . . . . 0.0 111.335 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.93 -30.61 66.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.185 -0.947 . . . . 0.0 112.966 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.67 58.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.98 -29.39 67.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 119.986 1.266 . . . . 0.0 112.573 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -78.26 -21.36 49.97 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.875 1.27 . . . . 0.0 114.219 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.4 p -115.15 -14.1 11.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.636 1.575 . . . . 0.0 114.887 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.41 147.23 53.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.633 1.173 . . . . 0.0 110.909 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -137.76 159.65 41.42 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.639 1.176 . . . . 0.0 110.689 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.88 126.34 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 109.233 170.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -99.96 127.42 46.15 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.909 1.284 . . . . 0.0 110.528 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -125.52 100.65 6.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.885 1.274 . . . . 0.0 109.175 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.4 131.88 44.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.147 -0.971 . . . . 0.0 111.35 -174.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.89 -17.46 37.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -116.08 1.15 13.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.663 1.185 . . . . 0.0 113.967 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 58.53 23.89 11.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 127.302 2.241 . . . . 0.0 114.624 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -77.19 -17.94 58.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.188 -1.57 . . . . 0.0 112.935 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.4 23.49 75.45 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.692 -1.06 . . . . 0.0 113.029 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -104.78 116.29 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 164.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 t -81.46 132.31 35.31 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.975 0.51 . . . . 0.0 112.276 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.35 150.51 37.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.408 1.483 . . . . 0.0 111.271 165.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -166.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -77.22 -6.25 52.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.73 -9.25 59.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.571 1.149 . . . . 0.0 113.896 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.51 145.19 29.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.262 1.425 . . . . 0.0 112.842 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.48 163.99 25.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.591 2.356 . . . . 0.0 113.219 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -77.25 165.93 23.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.062 1.345 . . . . 0.0 112.616 168.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.54 -36.64 79.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.209 1.003 . . . . 0.0 112.039 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.42 -31.27 62.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.56 -20.66 56.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.966 1.257 . . . . 0.0 113.087 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.09 2.79 37.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.533 1.533 . . . . 0.0 113.132 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.83 27.37 73.27 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 118.761 0.71 . . . . 0.0 114.394 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.1 mt -83.57 126.51 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 118.402 1.101 . . . . 0.0 109.856 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -90.41 -50.56 5.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.526 1.53 . . . . 0.0 110.925 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.2 p -157.59 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.612 1.165 . . . . 0.0 111.908 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.45 124.94 39.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.989 1.315 . . . . 0.0 110.966 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -94.29 113.9 25.89 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.495 1.118 . . . . 0.0 112.29 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 mt -73.65 0.13 13.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.242 1.417 . . . . 0.0 114.817 -174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.27 116.98 25.72 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 120.454 -1.404 . . . . 0.0 112.833 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -102.17 170.26 8.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.871 1.668 . . . . 0.0 114.233 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -121.92 147.22 46.3 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.227 1.811 . . . . 0.0 108.713 151.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.22 136.94 52.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.544 0.338 . . . . 0.0 111.721 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.78 -27.35 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 125.208 1.403 . . . . 0.0 114.232 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.4 m120 46.72 49.3 14.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.578 1.951 . . . . 0.0 113.998 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -101.23 122.49 43.75 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.588 1.955 . . . . 0.0 112.553 -166.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -66.35 127.66 33.12 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.664 -0.648 . . . . 0.0 110.836 168.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.35 -26.42 11.5 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.824 0.85 . . . . 0.0 112.623 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 178.61 -172.09 44.4 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 125.546 1.546 . . . . 0.0 112.167 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -57.8 108.26 0.55 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.597 -0.943 . . . . 0.0 112.427 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.37 69.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.362 -1.243 . . . . 0.0 116.133 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -113.87 121.91 45.4 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 119.613 1.707 . . . . 0.0 111.647 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.9 m -142.43 131.47 23.14 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.624 1.57 . . . . 0.0 111.179 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.93 112.38 24.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.431 1.893 . . . . 0.0 110.292 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.96 -53.17 7.31 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.676 -0.64 . . . . 0.0 112.581 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -133.68 142.71 48.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.255 1.422 . . . . 0.0 110.089 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -141.87 141.21 33.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.705 -168.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.01 -150.13 5.25 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 127.677 2.56 . . . . 0.0 110.501 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 67.6 m -141.28 164.53 30.01 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -123.88 160.12 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.802 2.041 . . . . 0.0 109.947 167.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.4 m -106.61 134.51 49.64 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.086 1.754 . . . . 0.0 111.19 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -92.64 161.46 14.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.313 1.845 . . . . 0.0 111.325 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 37.3 p -63.32 -17.99 63.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -79.64 0.09 31.64 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 125.831 1.652 . . . . 0.0 114.785 169.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.85 -2.71 78.95 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 126.66 2.076 . . . . 0.0 115.512 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.0 p -80.18 160.47 25.64 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 119.63 1.715 . . . . 0.0 110.906 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 69.9 p -117.73 154.55 31.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.514 -0.741 . . . . 0.0 112.473 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.49 157.04 45.65 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.595 1.158 . . . . 0.0 111.124 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.82 150.7 36.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.636 0.775 . . . . 0.0 112.79 -168.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -147.2 159.59 43.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.846 1.258 . . . . 0.0 111.203 168.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.75 173.32 44.71 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.02 123.28 27.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.035 1.734 . . . . 0.0 111.443 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 55.1 tp -129.45 134.52 47.87 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.892 1.677 . . . . 0.0 112.656 -167.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.91 127.63 33.37 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.678 1.591 . . . . 0.0 110.189 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.447 -0.62 0 C-N-CA 125.315 1.446 . . . . 0.0 110.092 171.557 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 20.9 p30 . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.59 155.96 24.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.473 1.909 . . . . 0.0 112.741 168.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.8 mt -83.71 139.37 32.8 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.08 1.352 . . . . 0.0 112.808 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.49 160.25 40.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.78 1.632 . . . . 0.0 113.861 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mp -126.59 146.92 49.97 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.923 1.289 . . . . 0.0 113.066 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -85.1 103.43 14.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.097 1.359 . . . . 0.0 109.882 167.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.05 -25.23 32.31 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -166.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.36 -5.81 12.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.38 35.84 8.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -126.18 16.71 7.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.33 1.565 . . . . 0.0 114.74 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.49 162.24 31.47 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 125.689 1.614 . . . . 0.0 112.447 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.78 106.03 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -89.32 129.01 35.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.934 0.894 . . . . 0.0 111.287 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -129.63 148.2 51.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.848 1.259 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.334 2.254 . . . . 0.0 111.419 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.714 . . . . 0.0 111.495 170.623 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -121.77 159.77 25.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.427 1.113 . . . . 0.0 111.434 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.7 128.31 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 122.032 0.92 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 t -61.06 161.7 8.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.289 1.836 . . . . 0.0 112.243 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.74 -9.36 1.71 Allowed 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.74 -27.59 55.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 126.012 1.725 . . . . 0.0 114.053 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -128.83 -172.79 2.8 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.848 2.459 . . . . 0.0 113.013 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.59 37.65 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -95.73 144.74 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.897 2.079 . . . . 0.0 111.677 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.69 127.12 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 119.345 0.975 . . . . 0.0 111.051 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.87 164.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 112.086 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -124.72 114.3 19.11 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.57 1.548 . . . . 0.0 109.108 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -88.19 96.34 10.51 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.001 0.819 . . . . 0.0 109.957 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.447 -0.595 0 C-N-CA 126.07 1.748 . . . . 0.0 114.153 -165.189 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -136.63 -14.42 1.67 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.197 1.399 . . . . 0.0 113.279 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -117.23 146.92 42.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.543 1.137 . . . . 0.0 111.502 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.25 -14.18 73.92 Favored Glycine 0 CA--C 1.525 0.701 0 O-C-N 120.855 -1.153 . . . . 0.0 115.62 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.33 -9.24 59.19 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 118.501 1.15 . . . . 0.0 113.859 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.3 -8.17 55.3 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.73 -1.231 . . . . 0.0 113.683 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -97.63 160.84 14.07 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.398 1.479 . . . . 0.0 111.749 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -107.31 133.1 52.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.131 0.972 . . . . 0.0 110.316 163.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.17 -178.99 40.53 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 125.482 1.515 . . . . 0.0 111.707 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.87 -1.57 20.08 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -123.36 3.74 9.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 125.517 1.527 . . . . 0.0 114.723 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 0.0 112.937 -178.266 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.35 59.1 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 112.299 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.78 81.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.767 1.227 . . . . 0.0 112.08 171.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.3 -39.7 71.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.077 0.951 . . . . 0.0 112.026 170.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.6 66.68 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.83 -24.14 65.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.811 1.187 . . . . 0.0 113.066 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.8 -13.0 60.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.47 1.108 . . . . 0.0 113.666 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.73 127.61 33.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 120.26 1.391 . . . . 0.0 112.303 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -90.67 -19.31 23.76 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.846 1.658 . . . . 0.0 115.287 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -110.92 -23.97 10.67 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -160.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.66 26.69 58.41 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.269 -0.895 . . . . 0.0 114.66 -165.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -102.34 8.49 40.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.644 1.722 . . . . 0.0 114.373 -174.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.0 t30 59.08 11.91 2.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.918 2.487 . . . . 0.0 116.281 -174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.7 pt -129.24 149.57 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 119.449 1.022 . . . . 0.0 113.547 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -98.59 115.72 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.781 1.633 . . . . 0.0 108.018 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.47 175.58 13.42 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 126.068 1.747 . . . . 0.0 112.131 -170.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.27 -17.77 8.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -13.8 61.9 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.84 1.2 . . . . 0.0 113.784 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -94.77 132.27 39.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.376 1.871 . . . . 0.0 112.398 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.22 -25.24 66.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.18 -16.84 55.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.14 -35.03 74.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -165.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -70.51 -19.9 62.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.818 -1.176 . . . . 0.0 113.963 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 p -79.43 -13.92 59.27 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.06 141.84 49.25 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.936 0.894 . . . . 0.0 111.902 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -141.31 162.53 35.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.944 1.698 . . . . 0.0 109.976 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.07 130.31 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.725 1.21 . . . . 0.0 109.021 165.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -99.62 107.7 19.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.936 0.894 . . . . 0.0 111.148 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -105.01 105.11 15.0 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.0 108.615 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -94.62 110.32 22.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.425 -0.797 . . . . 0.0 110.471 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.43 -25.79 67.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.936 0.894 . . . . 0.0 112.974 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -115.58 -4.48 12.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.829 1.652 . . . . 0.0 115.345 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 53.48 28.51 7.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 116.798 2.148 . . . . 0.0 116.798 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.17 -1.7 30.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.92 -6.1 72.36 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 120.012 -1.68 . . . . 0.0 115.285 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.17 139.76 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.829 1.652 . . . . 0.0 108.942 171.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -96.37 151.67 19.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.341 1.056 . . . . 0.0 112.572 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -136.43 157.88 45.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.964 1.705 . . . . 0.0 110.095 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.74 71.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -169.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.92 -9.15 58.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.24 -23.99 15.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.883 1.273 . . . . 0.0 112.924 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.36 131.14 34.45 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.4 0.68 . . . . 0.0 109.714 169.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -126.27 156.69 39.93 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.933 2.493 . . . . 0.0 111.216 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.0 p -73.68 158.71 34.2 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.626 -0.671 . . . . 0.0 111.665 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.07 -42.42 80.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.119 0.568 . . . . 0.0 110.327 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.06 -31.85 71.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.65 -18.24 61.58 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 120.402 1.455 . . . . 0.0 113.613 172.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.15 10.69 30.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 111.998 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.69 17.16 77.97 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-O 118.564 -1.131 . . . . 0.0 114.767 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.23 131.95 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-N 119.432 1.616 . . . . 0.0 109.575 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -101.96 -44.1 5.59 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 112.916 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.4 p -159.29 156.81 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.711 1.205 . . . . 0.0 111.992 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.66 132.69 54.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 109.456 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.67 145.09 24.81 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.127 0.971 . . . . 0.0 112.665 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.86 1.6 53.17 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.62 126.54 31.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 120.437 -1.414 . . . . 0.0 112.307 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -122.73 152.78 40.26 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.809 1.243 . . . . 0.0 113.747 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -139.15 126.78 21.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 127.685 2.394 . . . . 0.0 109.958 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -75.3 135.6 40.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.829 1.195 . . . . 0.0 112.194 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.8 -32.14 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 C-N-CA 124.576 1.15 . . . . 0.0 113.43 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.63 39.3 28.02 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.987 2.115 . . . . 0.0 116.094 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -76.17 129.54 36.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.631 1.172 . . . . 0.0 112.205 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -64.28 127.86 33.3 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.014 0.926 . . . . 0.0 111.483 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 mt -108.5 0.32 20.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.542 1.137 . . . . 0.0 113.092 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.77 163.1 36.15 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 125.343 1.449 . . . . 0.0 114.359 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m120 57.17 22.48 7.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.63 4.39 76.3 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-O 118.277 -1.29 . . . . 0.0 115.626 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -91.22 144.93 25.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.94 1.87 . . . . 0.0 111.203 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 56.4 m -141.75 127.69 19.45 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 125.654 1.581 . . . . 0.0 111.138 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.43 98.99 4.73 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 168.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.16 -55.47 9.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 112.218 -174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -140.56 146.14 37.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.323 1.449 . . . . 0.0 111.893 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.16 141.96 47.94 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.622 1.569 . . . . 0.0 111.964 -166.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.41 -165.87 10.42 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.52 2.486 . . . . 0.0 111.14 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 96.9 p -140.68 161.05 38.68 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -130.36 149.83 51.87 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.822 1.249 . . . . 0.0 111.573 168.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.7 m -95.23 134.8 37.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.496 1.518 . . . . 0.0 109.706 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -87.94 162.16 17.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.814 1.246 . . . . 0.0 111.848 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -59.83 -23.77 63.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 114.361 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -92.43 13.77 18.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 114.141 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.93 -9.54 30.87 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 126.159 1.838 . . . . 0.0 116.309 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.8 p -71.03 154.81 41.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.64 1.72 . . . . 0.0 111.97 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 16.8 m -106.62 139.04 41.69 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.532 1.133 . . . . 0.0 110.75 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -136.6 165.01 26.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 124.842 1.257 . . . . 0.0 112.399 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -87.79 144.4 26.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.414 1.486 . . . . 0.0 113.749 -163.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.8 ptm -145.35 167.08 23.76 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.808 1.243 . . . . 0.0 111.282 164.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -166.37 168.3 39.9 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-O 122.05 0.805 . . . . 0.0 114.701 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -98.78 108.18 20.8 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 126.302 1.841 . . . . 0.0 109.102 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.0 mp -101.91 118.48 37.01 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.283 1.033 . . . . 0.0 111.426 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 38.5 tp -97.38 134.17 41.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.947 2.099 . . . . 0.0 111.631 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.442 -0.826 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 172.408 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 m -125.72 19.04 7.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.613 1.165 . . . . 0.0 113.196 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.18 142.83 29.18 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.665 1.186 . . . . 0.0 110.581 173.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.19 31.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -163.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.74 131.46 49.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.844 2.057 . . . . 0.0 108.154 170.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.65 160.57 39.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.812 1.245 . . . . 0.0 113.798 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -115.14 140.57 48.96 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.225 1.81 . . . . 0.0 110.184 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -80.71 103.68 10.71 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.165 0.986 . . . . 0.0 109.566 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.54 -25.55 22.47 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -109.75 6.26 23.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 114.068 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.74 27.76 34.03 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 117.237 1.655 . . . . 0.0 117.237 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -129.58 22.78 5.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.661 1.731 . . . . 0.0 114.392 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.81 155.12 31.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 127.266 2.365 . . . . 0.0 114.055 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mt -76.09 125.59 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 121.515 -0.991 . . . . 0.0 108.829 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.27 150.6 49.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 112.865 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -137.27 157.32 46.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.933 2.093 . . . . 0.0 112.051 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.32 165.37 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.869 2.068 . . . . 0.0 111.572 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.21 151.1 47.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 121.274 -0.891 . . . . 0.0 111.646 161.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -80.21 133.89 36.07 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.225 -0.922 . . . . 0.0 112.891 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -138.45 -10.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.858 1.663 . . . . 0.0 115.004 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.39 10.91 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 119.004 0.82 . . . . 0.0 113.218 -173.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -103.61 -7.86 20.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.307 1.843 . . . . 0.0 113.471 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -70.66 -4.62 24.39 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -166.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.63 -13.72 59.22 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.514 1.531 . . . . 0.0 114.464 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -135.29 121.86 20.71 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.168 0.987 . . . . 0.0 109.041 162.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.7 mt -104.28 135.76 45.14 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.622 1.569 . . . . 0.0 110.749 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -73.06 162.26 29.67 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.32 1.057 . . . . 0.0 111.419 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -136.15 -177.57 4.76 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.178 0.991 . . . . 0.0 111.874 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -71.56 -6.27 39.51 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.07 -27.28 3.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.124 1.329 . . . . 0.0 113.703 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -74.83 111.64 10.24 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 120.215 1.37 . . . . 0.0 110.52 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.75 144.66 55.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.19 0.596 . . . . 0.0 111.813 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.77 -140.71 5.09 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 124.352 0.977 . . . . 0.0 111.506 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 mm -108.01 143.93 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 126.837 2.055 . . . . 0.0 110.064 171.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.23 135.0 50.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.28 1.032 . . . . 0.0 112.836 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -70.07 115.02 8.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.031 0.933 . . . . 0.0 112.58 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.46 135.16 34.37 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.131 1.372 . . . . 0.0 111.651 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.6 p -103.28 -17.41 15.32 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.259 1.424 . . . . 0.0 112.118 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.15 154.63 26.08 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 125.786 1.66 . . . . 0.0 113.674 171.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -154.88 171.26 19.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.5 1.12 . . . . 0.0 112.909 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.78 123.15 25.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 124.828 1.251 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.5 p -71.89 140.34 49.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.476 0.71 . . . . 0.0 112.124 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -13.5 12.21 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -155.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.91 -24.02 67.4 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.72 1.145 . . . . 0.0 113.005 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.24 172.26 6.94 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.453 2.301 . . . . 0.0 112.547 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.43 156.5 27.02 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 115.19 0.836 . . . . 0.0 115.19 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.86 141.15 29.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.012 2.125 . . . . 0.0 110.262 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -85.38 127.09 34.24 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 123.74 0.816 . . . . 0.0 110.43 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.24 162.55 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.232 1.413 . . . . 0.0 112.989 -171.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -154.69 129.17 9.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.496 1.518 . . . . 0.0 110.123 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -71.87 114.61 10.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.021 0.439 . . . . 0.0 109.942 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.48 -4.92 42.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -103.81 2.48 32.83 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.863 2.065 . . . . 0.0 113.183 170.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 14.1 65.41 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 117.926 1.93 . . . . 0.0 117.926 168.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -103.4 5.32 37.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 119.549 1.675 . . . . 0.0 113.038 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.76 25.52 73.74 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.118 1.342 . . . . 0.0 114.98 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.7 mt -116.32 116.97 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.743 1.271 . . . . 0.0 110.134 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.37 125.84 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 126.247 1.819 . . . . 0.0 108.106 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -149.53 -19.73 0.28 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.22 154.27 31.44 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.136 1.374 . . . . 0.0 113.484 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.56 -17.42 62.26 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.2 -14.1 57.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 119.763 1.781 . . . . 0.0 113.912 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -84.65 -16.63 41.25 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.279 1.831 . . . . 0.0 112.665 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.72 139.09 37.45 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.08 1.352 . . . . 0.0 108.719 157.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.93 143.06 41.86 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.594 0.711 . . . . 0.0 111.104 163.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.1 176.11 22.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 125.814 1.674 . . . . 0.0 109.921 -165.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.45 -1.43 10.78 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.524 1.662 . . . . 0.0 115.476 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -102.8 9.27 39.09 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 126.177 1.791 . . . . 0.0 113.094 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 160.1 15.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.453 1.501 . . . . 0.0 112.248 165.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -112.08 155.16 24.31 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.594 1.158 . . . . 0.0 114.015 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.02 173.03 9.11 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 129.161 2.985 . . . . 0.0 111.96 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.0 -7.35 40.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -98.23 -7.52 29.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 120.242 1.383 . . . . 0.0 113.516 169.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.17 -0.26 58.7 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.191 1.853 . . . . 0.0 115.142 -173.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -74.41 146.55 42.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 120.153 1.976 . . . . 0.0 112.153 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.5 145.72 54.67 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.123 -0.985 . . . . 0.0 111.74 165.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.75 151.63 39.13 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.698 -0.626 . . . . 0.0 112.405 172.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.74 -33.48 60.25 Favored 'General case' 0 N--CA 1.444 -0.762 0 O-C-N 121.265 -0.897 . . . . 0.0 111.517 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -140.23 121.27 14.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.337 1.855 . . . . 0.0 109.14 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.25 -29.12 55.96 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.873 1.225 . . . . 0.0 116.16 -171.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.6 -37.32 85.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 119.471 1.635 . . . . 0.0 111.502 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -19.21 65.53 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.2 65.36 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.51 -24.59 61.99 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.043 0.838 . . . . 0.0 112.42 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.27 -18.74 64.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.643 1.11 . . . . 0.0 113.441 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -70.99 -17.89 62.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.261 1.024 . . . . 0.0 113.258 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.8 mt -94.36 -12.17 28.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.575 1.55 . . . . 0.0 113.839 -169.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.26 128.52 36.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.15 0.886 . . . . 0.0 109.895 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -89.73 -36.23 15.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -106.51 -15.06 14.89 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.094 1.358 . . . . 0.0 114.1 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.09 33.56 26.11 Favored Glycine 0 C--O 1.221 -0.688 0 CA-C-N 119.903 1.229 . . . . 0.0 114.2 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -84.48 -12.92 53.37 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.304 1.052 . . . . 0.0 112.307 168.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.317 5.9 t30 68.27 29.72 5.88 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 128.353 2.661 . . . . 0.0 115.854 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.2 pt -128.07 144.92 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 124.414 1.086 . . . . 0.0 111.518 161.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 104.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -135.38 173.15 12.04 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.597 1.159 . . . . 0.0 111.845 -172.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.39 9.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.5 -17.36 45.4 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.384 -1.448 . . . . 0.0 114.61 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -78.14 136.96 37.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 120.758 1.617 . . . . 0.0 113.363 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.05 80.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.025 -1.047 . . . . 0.0 113.313 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.1 65.12 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -59.71 -34.94 73.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 119.409 1.004 . . . . 0.0 112.258 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.75 -23.4 39.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.835 0.854 . . . . 0.0 112.881 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m -82.64 -30.18 29.56 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.949 1.3 . . . . 0.0 114.173 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.33 147.0 53.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.625 1.17 . . . . 0.0 110.933 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -141.87 166.83 23.66 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.738 1.615 . . . . 0.0 111.009 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.1 t -122.44 140.72 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.876 1.27 . . . . 0.0 109.695 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -117.84 130.35 56.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -129.73 109.22 10.79 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.765 1.626 . . . . 0.0 110.904 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -104.05 119.21 38.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.456 1.103 . . . . 0.0 110.586 -175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.7 mt -88.14 -12.58 43.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.143 1.777 . . . . 0.0 113.08 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -113.82 -13.2 12.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.205 1.402 . . . . 0.0 113.38 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 55.64 38.04 29.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.021 2.129 . . . . 0.0 115.253 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.87 -3.97 58.89 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 114.656 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.47 -13.15 29.76 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.145 1.355 . . . . 0.0 115.413 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.6 mm -90.34 136.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.326 1.063 . . . . 0.0 108.915 169.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -95.14 123.3 38.56 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.66 1.184 . . . . 0.0 110.171 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -112.09 158.32 19.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.691 1.596 . . . . 0.0 111.546 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.3 70.35 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -68.72 -19.0 64.34 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.86 -5.35 58.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.594 1.558 . . . . 0.0 113.016 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.51 150.72 23.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.113 1.765 . . . . 0.0 112.922 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -135.98 135.37 39.48 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.498 2.319 . . . . 0.0 111.063 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.4 p -76.65 159.41 30.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.733 0.697 . . . . 0.0 111.102 162.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.39 -36.78 85.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.259 -0.9 . . . . 0.0 112.409 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -69.47 -40.01 77.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.403 0.681 . . . . 0.0 112.07 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.37 -21.42 63.8 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 tp -94.01 3.34 55.48 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.255 1.822 . . . . 0.0 113.314 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 24.86 74.21 Favored Glycine 0 C--N 1.335 0.485 0 O-C-N 120.817 -1.177 . . . . 0.0 114.537 176.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -84.67 141.22 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 124.92 1.288 . . . . 0.0 109.105 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.22 -39.65 3.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.844 1.258 . . . . 0.0 113.0 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 p -157.25 156.73 33.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -114.98 138.67 50.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.541 1.936 . . . . 0.0 109.367 169.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -85.8 133.88 33.96 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.458 0.703 . . . . 0.0 112.591 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.13 41.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.876 1.271 . . . . 0.0 111.958 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.36 127.75 22.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.474 1.509 . . . . 0.0 111.128 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -142.6 161.67 37.46 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.605 1.562 . . . . 0.0 113.747 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -121.74 144.71 48.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.749 2.019 . . . . 0.0 110.718 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.53 125.84 29.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.377 1.071 . . . . 0.0 111.263 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.91 -26.42 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 m120 47.15 41.42 11.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.431 1.893 . . . . 0.0 114.462 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -96.39 138.46 33.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.734 2.014 . . . . 0.0 110.864 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -74.13 146.24 43.69 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 111.071 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.04 5.82 12.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.41 1.484 . . . . 0.0 113.378 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.17 165.05 22.97 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 124.944 1.259 . . . . 0.0 114.446 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 50.24 28.54 3.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 114.357 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.63 8.73 85.67 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 125.195 1.379 . . . . 0.0 115.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.98 155.22 16.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.264 1.532 . . . . 0.0 111.915 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.9 m -138.61 146.02 41.25 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.165 1.386 . . . . 0.0 111.518 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 tp -107.28 109.56 21.36 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 127.247 2.219 . . . . 0.0 108.912 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.58 6.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.935 -0.478 . . . . 0.0 112.031 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -141.83 143.27 33.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.632 1.573 . . . . 0.0 110.139 -165.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -135.06 128.71 32.78 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.897 0.879 . . . . 0.0 112.311 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -123.43 -153.02 8.61 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 127.583 2.516 . . . . 0.0 111.878 167.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.3 p -148.96 155.27 40.59 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -162.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -143.89 159.46 42.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.048 1.339 . . . . 0.0 113.349 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.6 m -115.27 135.57 54.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.43 1.892 . . . . 0.0 111.313 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.39 153.58 17.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 126.47 1.908 . . . . 0.0 111.677 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.7 p -59.37 -31.89 69.63 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.569 1.147 . . . . 0.0 112.927 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -72.86 3.0 5.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.627 1.571 . . . . 0.0 114.908 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.74 5.58 87.98 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.29 1.424 . . . . 0.0 116.042 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 26.0 m -83.01 146.2 28.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.258 1.023 . . . . 0.0 110.925 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 p -118.64 144.67 46.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.798 1.239 . . . . 0.0 112.767 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.64 169.18 22.77 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 113.763 -171.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -85.17 148.5 26.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 113.022 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.9 ptm -142.11 153.85 44.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.618 1.167 . . . . 0.0 110.066 166.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.8 167.49 40.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -93.64 127.07 39.15 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.779 2.031 . . . . 0.0 111.386 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.12 150.9 42.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.994 1.717 . . . . 0.0 112.079 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -110.86 126.4 54.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.49 1.116 . . . . 0.0 108.021 160.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.19 143.37 32.72 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 124.508 1.123 . . . . 0.0 111.142 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.07 136.73 46.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.852 -0.53 . . . . 0.0 112.274 -172.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -151.53 159.46 44.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.13 121.28 15.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.343 1.057 . . . . 0.0 110.539 174.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.32 -35.56 71.29 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 120.92 -1.113 . . . . 0.0 113.98 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.3 -43.24 61.31 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 118.706 0.685 . . . . 0.0 110.613 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.94 -34.24 77.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.114 -0.991 . . . . 0.0 112.514 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 49.7 m -71.11 -0.99 10.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 42.9 ttp85 -106.91 -29.61 9.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.995 1.318 . . . . 0.0 112.587 168.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -70.39 -31.69 69.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 119.033 0.833 . . . . 0.0 112.988 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -126.68 151.44 48.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.988 1.715 . . . . 0.0 111.998 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 126.965 2.106 . . . . 0.0 111.442 170.269 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 p -69.68 109.18 4.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.936 0.868 . . . . 0.0 110.144 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -148.44 135.0 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.613 -0.68 . . . . 0.0 111.66 -153.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.97 14.69 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -166.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.84 112.56 14.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.281 1.832 . . . . 0.0 109.503 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.85 150.88 36.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.185 0.994 . . . . 0.0 113.144 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -114.36 134.72 54.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 126.005 1.722 . . . . 0.0 109.59 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.03 108.53 7.83 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 163.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.0 -9.97 49.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.144 -0.972 . . . . 0.0 113.613 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -110.68 -20.73 12.41 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -170.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.25 36.95 6.84 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-O 119.286 -0.73 . . . . 0.0 114.118 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -145.36 26.63 1.3 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.113 1.365 . . . . 0.0 113.864 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 161.05 26.23 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 125.095 1.331 . . . . 0.0 114.299 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.77 132.83 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.268 1.027 . . . . 0.0 110.549 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -137.28 157.48 46.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.9 p -132.25 159.98 37.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.983 1.313 . . . . 0.0 113.57 -164.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 m -134.54 162.25 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 128.703 2.801 . . . . 0.0 110.623 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.19 154.41 19.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 121.058 -1.026 . . . . 0.0 112.242 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 p -130.18 167.52 18.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -173.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -68.41 -27.49 66.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.144 1.378 . . . . 0.0 114.088 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.5 -171.78 44.21 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.311 1.434 . . . . 0.0 112.676 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -146.23 139.98 26.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.581 1.153 . . . . 0.0 110.834 174.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -108.79 -15.42 14.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 129.658 3.183 . . . . 0.0 115.324 5.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.87 166.3 37.4 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 120.178 1.354 . . . . 0.0 115.199 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.288 59.7 p 54.97 18.56 2.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 129.43 3.092 . . . . 0.0 117.938 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.99 6.94 33.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 126.233 1.813 . . . . 0.0 115.018 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -79.55 135.09 36.52 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 121.037 -1.039 . . . . 0.0 110.417 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -135.11 147.44 49.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.32 1.448 . . . . 0.0 112.797 -171.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.37 156.09 26.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.252 1.421 . . . . 0.0 113.774 -168.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.258 23.6 m120 56.19 27.13 11.17 Favored 'General case' 0 C--N 1.343 0.313 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -130.31 125.76 35.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.949 1.7 . . . . 0.0 110.14 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.68 132.33 53.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 123.016 0.526 . . . . 0.0 111.455 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.63 154.53 6.9 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.274 0.94 . . . . 0.0 113.646 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -132.74 140.39 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 110.565 172.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -126.35 142.65 51.45 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.587 1.555 . . . . 0.0 111.249 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.8 p -139.11 5.41 2.31 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 125.214 1.406 . . . . 0.0 114.596 -171.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.28 63.27 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -174.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 p -121.4 153.31 38.0 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 111.714 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.41 159.13 25.68 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 -171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -152.58 171.99 17.29 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.96 2.104 . . . . 0.0 110.311 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 m -75.29 147.06 8.54 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 O-C-N 120.112 -1.617 . . . . 0.0 112.8 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -61.87 154.13 27.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.091 0.957 . . . . 0.0 112.102 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -10.92 45.71 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 120.68 -1.263 . . . . 0.0 113.303 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.3 -21.83 64.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.444 1.497 . . . . 0.0 113.255 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -128.08 -172.24 2.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.406 3.082 . . . . 0.0 112.411 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.79 168.28 37.57 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 120.187 -1.57 . . . . 0.0 114.935 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.46 145.29 30.49 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.725 1.61 . . . . 0.0 112.608 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -82.42 128.74 34.54 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.865 0.866 . . . . 0.0 111.309 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.81 160.41 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 125.12 1.368 . . . . 0.0 113.931 -168.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -153.96 138.81 17.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.133 2.173 . . . . 0.0 111.194 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.7 128.25 33.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 122.007 -0.433 . . . . 0.0 111.577 174.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.77 -4.52 20.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -129.45 24.56 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 24.55 74.09 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 124.395 0.998 . . . . 0.0 115.465 169.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.31 -12.21 14.46 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 125.456 1.502 . . . . 0.0 113.676 -175.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.28 13.13 81.64 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 126.453 1.978 . . . . 0.0 117.173 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.1 mm -125.55 141.78 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 126.238 1.815 . . . . 0.0 108.833 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.81 108.21 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 124.93 1.292 . . . . 0.0 108.004 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.63 -8.1 1.1 Allowed 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -119.66 150.08 40.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.766 1.226 . . . . 0.0 111.934 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.14 -27.95 60.71 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 124.554 1.073 . . . . 0.0 115.769 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.44 -16.3 62.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.4 -16.12 53.12 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.083 1.353 . . . . 0.0 112.848 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.7 mt -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.245 -0.909 . . . . 0.0 111.363 160.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -70.34 127.2 31.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 154.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.41 -179.48 38.5 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.671 1.605 . . . . 0.0 110.649 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.16 1.35 7.68 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.431 1.616 . . . . 0.0 115.266 -174.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 3.7 35.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.02 1.728 . . . . 0.0 112.541 168.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 t -74.62 149.97 39.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.315 -1.49 . . . . 0.0 112.617 -177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -102.0 130.29 48.5 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.729 1.211 . . . . 0.0 111.268 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.18 176.22 6.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.373 2.269 . . . . 0.0 111.738 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.75 -22.1 65.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -169.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -94.75 -4.24 47.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.435 1.494 . . . . 0.0 113.76 175.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.91 -0.31 72.8 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 125.228 1.394 . . . . 0.0 115.394 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.0 p -73.57 149.74 41.94 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 119.507 1.654 . . . . 0.0 111.769 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.58 131.49 34.38 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.615 -1.303 . . . . 0.0 111.053 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.22 151.06 48.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.88 -0.512 . . . . 0.0 111.144 170.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.98 -32.22 71.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.693 -0.629 . . . . 0.0 111.898 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.9 126.67 27.37 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.676 1.591 . . . . 0.0 112.387 -171.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.45 65.72 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -36.22 64.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.718 1.259 . . . . 0.0 112.059 176.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.1 75.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.174 -0.954 . . . . 0.0 112.747 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.16 -32.14 73.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -71.32 -38.93 71.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 118.843 0.747 . . . . 0.0 111.733 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.41 68.03 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -71.85 -3.29 21.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.87 0.43 46.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.466 1.506 . . . . 0.0 114.924 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.08 122.72 25.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 118.787 0.721 . . . . 0.0 111.484 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -83.45 -37.41 23.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -109.32 -16.68 13.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.707 1.603 . . . . 0.0 115.311 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.22 27.54 27.76 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.96 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -84.04 -2.54 56.87 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.35 1.575 . . . . 0.0 113.015 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 t30 65.68 24.54 11.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.339 1.856 . . . . 0.0 114.933 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.3 pt -133.52 155.34 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 125.522 1.529 . . . . 0.0 112.148 167.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.49 112.31 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 124.959 1.304 . . . . 0.0 108.503 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -141.65 172.84 12.14 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.572 1.949 . . . . 0.0 111.729 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.92 -15.55 22.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.987 2.217 . . . . 0.0 116.987 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.66 -16.21 45.95 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.685 1.194 . . . . 0.0 114.127 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.58 132.21 38.2 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.596 1.158 . . . . 0.0 110.784 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.88 76.48 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.654 -1.279 . . . . 0.0 113.923 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.11 66.49 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.38 -34.44 61.24 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.508 1.123 . . . . 0.0 113.064 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.81 -30.78 71.07 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.332 1.453 . . . . 0.0 113.569 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -92.46 -14.35 28.62 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.824 1.649 . . . . 0.0 113.612 -173.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.29 143.99 57.48 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 111.541 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.7 168.47 19.22 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.928 1.691 . . . . 0.0 109.677 166.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.7 t -118.63 135.2 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 124.771 1.228 . . . . 0.0 109.426 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -109.09 124.59 51.03 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.32 1.048 . . . . 0.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -123.85 99.55 6.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.914 1.286 . . . . 0.0 110.427 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -93.66 129.0 40.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.722 0.809 . . . . 0.0 112.418 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.5 mt -88.68 -22.9 23.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.462 1.505 . . . . 0.0 114.984 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -114.27 -8.29 12.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.353 1.461 . . . . 0.0 114.692 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 54.53 36.09 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.837 2.055 . . . . 0.0 114.467 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.72 5.64 31.3 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -173.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.95 5.86 88.92 Favored Glycine 0 N--CA 1.445 -0.743 0 O-C-N 120.608 -1.307 . . . . 0.0 115.754 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.4 tt -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 119.788 1.794 . . . . 0.0 111.156 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.0 p -107.88 162.03 14.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.519 1.128 . . . . 0.0 113.664 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 168.72 19.1 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.906 2.082 . . . . 0.0 109.487 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.47 67.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.19 -21.15 62.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -95.12 -17.85 21.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.358 1.063 . . . . 0.0 113.191 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.36 123.33 45.27 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.297 1.439 . . . . 0.0 110.706 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -125.63 152.94 44.51 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.569 1.547 . . . . 0.0 112.493 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.1 p -82.17 159.05 23.39 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.625 1.17 . . . . 0.0 112.57 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.37 -33.71 76.49 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.247 -0.908 . . . . 0.0 111.058 168.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.57 -46.91 88.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.84 1.256 . . . . 0.0 113.418 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.48 -17.27 58.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 119.423 1.01 . . . . 0.0 113.331 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.46 -4.51 58.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.88 1.272 . . . . 0.0 112.779 165.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.54 75.87 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 125.368 1.461 . . . . 0.0 115.06 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.81 127.78 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 119.109 1.455 . . . . 0.0 109.972 -173.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.95 -36.27 9.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.577 1.551 . . . . 0.0 112.686 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.9 p -157.56 162.55 38.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt -112.79 139.25 48.57 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.828 1.651 . . . . 0.0 110.338 168.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.75 153.37 40.04 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 118.809 0.731 . . . . 0.0 112.794 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.6 mt -105.62 -8.11 18.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.17 134.14 35.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.253 0.621 . . . . 0.0 111.506 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.32 161.82 41.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 111.788 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -137.33 148.22 46.15 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 112.091 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.06 132.3 52.42 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.887 1.275 . . . . 0.0 111.906 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.66 -25.1 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 114.128 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 m120 47.14 43.03 13.95 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.492 1.917 . . . . 0.0 115.308 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -83.34 133.44 34.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.628 1.971 . . . . 0.0 112.281 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -76.32 132.46 39.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.572 0.749 . . . . 0.0 111.244 167.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -106.54 -1.72 22.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.5 1.52 . . . . 0.0 113.705 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.87 163.27 38.54 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 126.571 2.034 . . . . 0.0 114.657 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.6 t30 57.35 17.24 3.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.067 1.747 . . . . 0.0 115.583 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.63 4.29 57.09 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 126.348 1.928 . . . . 0.0 115.739 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -93.97 146.83 23.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.907 1.353 . . . . 0.0 111.599 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -140.73 140.58 34.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.7 1.2 . . . . 0.0 111.277 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.8 tp -106.97 111.11 23.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.771 2.028 . . . . 0.0 109.339 167.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.2 -53.8 6.06 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.11 139.66 41.39 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.137 1.375 . . . . 0.0 110.626 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -131.37 138.01 48.96 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.774 1.229 . . . . 0.0 111.997 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.5 -148.54 6.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 128.656 3.027 . . . . 0.0 111.912 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.3 t -147.29 162.59 38.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.405 1.082 . . . . 0.0 113.496 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -130.3 158.83 38.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.655 1.582 . . . . 0.0 111.89 165.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.3 m -120.95 137.93 54.38 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.631 1.572 . . . . 0.0 111.623 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -102.89 162.55 12.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.838 1.655 . . . . 0.0 114.449 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.4 p -60.28 -34.8 74.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.523 1.929 . . . . 0.0 113.556 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 -77.97 2.68 16.81 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.64 -5.04 82.44 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.115 1.817 . . . . 0.0 115.596 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 62.4 p -76.42 154.63 34.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 119.553 1.677 . . . . 0.0 112.982 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 32.2 p -128.35 151.57 49.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.0 1.72 . . . . 0.0 111.47 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.69 160.88 43.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.392 1.077 . . . . 0.0 111.255 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.14 151.95 38.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.8 ptm -143.93 155.93 44.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.77 1.628 . . . . 0.0 110.951 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -172.82 166.02 38.53 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 118.559 2.184 . . . . 0.0 118.559 -172.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -76.83 113.71 14.8 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.239 2.215 . . . . 0.0 110.931 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.24 129.77 55.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.171 1.388 . . . . 0.0 111.738 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.61 111.21 23.38 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 107.636 167.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.03 150.36 33.86 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.838 0.855 . . . . 0.0 111.839 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.69 131.24 50.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.299 0.64 . . . . 0.0 110.612 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -130.85 153.34 49.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 126.818 2.047 . . . . 0.0 110.81 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -71.34 151.41 44.17 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.99 -1.069 . . . . 0.0 113.402 -170.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 53.87 34.04 18.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.464 1.905 . . . . 0.0 114.951 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.16 -37.14 1.48 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.544 1.537 . . . . 0.0 113.199 -172.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -87.19 -22.05 25.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 120.497 -1.377 . . . . 0.0 112.316 170.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 76.7 p -58.58 -22.12 55.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.069 1.348 . . . . 0.0 113.406 165.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -68.45 -9.92 51.9 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.079 1.351 . . . . 0.0 113.972 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -123.19 44.65 2.62 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.868 2.067 . . . . 0.0 111.706 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.98 -28.14 5.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.083 1.353 . . . . 0.0 114.398 -169.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.704 1.602 . . . . 0.0 113.854 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.242 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.0 p -152.0 153.63 34.43 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.035 0.934 . . . . 0.0 112.722 -176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.92 137.59 38.17 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.685 1.594 . . . . 0.0 110.347 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.99 166.05 28.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.33 133.31 53.74 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.291 1.437 . . . . 0.0 111.304 162.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.0 147.24 49.59 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 125.605 1.562 . . . . 0.0 112.747 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.88 140.31 49.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.066 1.746 . . . . 0.0 110.106 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -97.51 115.05 27.08 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.27 -17.2 63.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -112.89 -2.81 14.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.641 1.976 . . . . 0.0 114.4 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.52 12.52 73.56 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 126.773 2.13 . . . . 0.0 117.0 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.66 -32.11 57.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 120.06 1.93 . . . . 0.0 114.135 -168.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.52 131.05 2.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 126.229 1.871 . . . . 0.0 110.614 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.91 131.29 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 O-C-N 120.869 -1.371 . . . . 0.0 110.435 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.83 150.43 39.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.301 1.84 . . . . 0.0 113.65 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -138.99 160.54 39.54 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.287 1.435 . . . . 0.0 114.153 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.26 170.06 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 127.763 2.425 . . . . 0.0 111.569 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.39 163.86 26.02 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.93 0.492 . . . . 0.0 110.982 155.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.5 p -82.67 140.99 32.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.26 -1.525 . . . . 0.0 114.013 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 57.28 167.3 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 128.538 2.735 . . . . 0.0 115.486 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.44 17.2 79.78 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 116.997 1.559 . . . . 0.0 116.997 169.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -127.61 -28.94 2.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 118.985 1.392 . . . . 0.0 113.865 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -116.81 -3.11 11.72 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.485 1.914 . . . . 0.0 113.633 167.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.74 157.87 10.33 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 126.057 1.789 . . . . 0.0 112.305 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.1 m -113.94 16.06 18.38 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.308 1.043 . . . . 0.0 113.787 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -53.22 127.83 25.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.243 1.017 . . . . 0.0 110.476 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 52.57 23.62 2.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -87.5 128.35 35.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.191 -1.568 . . . . 0.0 110.194 170.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -11.07 27.36 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.019 1.727 . . . . 0.0 114.466 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 49.81 32.91 5.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.034 1.734 . . . . 0.0 115.213 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.13 -13.73 60.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.054 -1.029 . . . . 0.0 113.543 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -136.3 131.46 34.41 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.778 2.031 . . . . 0.0 112.606 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.41 -18.35 57.24 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.222 1.392 . . . . 0.0 114.936 171.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 mm -89.24 -49.12 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 119.388 1.594 . . . . 0.0 112.137 -172.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.267 69.4 mtt180 61.49 7.12 1.68 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 128.353 2.661 . . . . 0.0 118.068 173.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 p -68.83 -1.49 7.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.49 -3.5 53.24 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.927 1.691 . . . . 0.0 114.315 165.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -134.73 155.48 50.5 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.992 1.717 . . . . 0.0 111.291 -175.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.7 149.84 17.66 Favored Glycine 0 N--CA 1.441 -1.013 0 O-C-N 121.242 -0.911 . . . . 0.0 114.571 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -152.45 171.89 17.37 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -78.58 146.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 124.099 0.96 . . . . 0.0 112.018 169.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -65.4 157.6 28.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 121.729 -0.607 . . . . 0.0 112.355 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.65 56.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.274 1.429 . . . . 0.0 114.156 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.37 -25.57 68.09 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.865 2.466 . . . . 0.0 114.823 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -120.57 177.1 5.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.246 2.218 . . . . 0.0 111.852 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.96 170.57 34.3 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.218 -1.551 . . . . 0.0 116.151 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.0 mt -106.38 150.18 26.26 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.428 1.491 . . . . 0.0 113.072 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -89.32 117.93 28.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.54 150.09 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 125.585 1.554 . . . . 0.0 112.945 -166.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.84 142.86 23.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.483 1.113 . . . . 0.0 111.642 169.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -78.82 114.03 17.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.529 0.681 . . . . 0.0 111.36 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.01 1.95 16.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.144 0.978 . . . . 0.0 112.235 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -108.52 -5.04 16.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.74 1.616 . . . . 0.0 113.987 168.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.25 23.35 71.36 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 118.204 2.042 . . . . 0.0 118.204 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -109.32 0.44 19.53 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 119.744 1.772 . . . . 0.0 112.964 170.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.14 7.7 88.29 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 125.444 1.497 . . . . 0.0 115.129 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.93 121.62 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.204 1.402 . . . . 0.0 110.292 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mm -99.63 125.47 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.896 1.278 . . . . 0.0 109.634 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -155.0 -20.93 0.12 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -104.11 146.11 29.22 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.309 1.044 . . . . 0.0 111.516 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.66 -33.31 81.79 Favored Glycine 0 CA--C 1.525 0.706 0 O-C-N 121.211 -0.931 . . . . 0.0 114.42 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.71 -9.38 58.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.9 -21.15 51.67 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.977 1.311 . . . . 0.0 112.493 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.21 135.02 36.67 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.176 2.19 . . . . 0.0 110.995 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -71.62 134.0 46.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.943 -0.473 . . . . 0.0 111.68 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.78 37.0 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.418 1.961 . . . . 0.0 110.125 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.29 -6.62 24.97 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -173.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -119.23 25.33 10.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.236 1.414 . . . . 0.0 112.805 170.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -71.58 160.71 32.21 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 121.104 -0.997 . . . . 0.0 111.842 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HE3' ' CZ ' ' A' ' 73' ' ' PHE . 85.4 mttt -96.26 150.37 20.63 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 124.199 0.999 . . . . 0.0 111.705 168.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.7 172.11 12.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.884 2.074 . . . . 0.0 110.564 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -31.62 59.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.42 -10.02 58.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.96 -4.07 58.9 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 115.91 1.124 . . . . 0.0 115.91 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.59 143.51 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 120.446 2.123 . . . . 0.0 111.832 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.423 ' CZ ' ' HE3' ' A' ' 67' ' ' LYS . 72.6 m-85 -72.91 145.68 46.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.17 0.588 . . . . 0.0 111.738 171.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.34 11.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 114.537 -175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.89 -44.12 14.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.933 1.693 . . . . 0.0 113.081 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -140.47 148.15 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.27 1.828 . . . . 0.0 111.558 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.33 -44.46 96.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 123.748 0.689 . . . . 0.0 113.895 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -68.66 -31.44 70.57 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.3 62.99 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 119.478 1.035 . . . . 0.0 112.804 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.18 -37.57 63.9 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.988 0.915 . . . . 0.0 112.546 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.47 -33.75 76.39 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.198 0.999 . . . . 0.0 112.794 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -17.27 60.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.35 -22.61 65.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.749 -1.219 . . . . 0.0 113.542 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.43 -12.85 60.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -171.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -72.43 124.83 25.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.271 0.941 . . . . 0.0 112.281 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -91.52 -35.47 14.28 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -111.15 -7.84 14.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.928 1.691 . . . . 0.0 114.402 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.55 24.12 59.21 Favored Glycine 0 C--N 1.342 0.897 0 O-C-N 121.07 -1.018 . . . . 0.0 114.739 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -80.94 -3.37 51.3 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.693 1.246 . . . . 0.0 113.114 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.59 22.26 10.56 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 126.88 2.072 . . . . 0.0 114.411 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 pt -130.2 143.71 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.85 1.26 . . . . 0.0 111.141 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -96.94 107.83 20.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -138.76 171.94 13.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.933 0.893 . . . . 0.0 112.971 -167.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.21 13.24 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.71 -12.95 49.9 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.62 133.97 39.46 Favored 'General case' 0 C--O 1.226 -0.179 0 O-C-N 121.119 -0.988 . . . . 0.0 110.619 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.13 73.02 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 120.402 -1.436 . . . . 0.0 113.908 -169.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -17.18 64.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.736 1.214 . . . . 0.0 114.205 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -66.37 -30.39 70.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 120.212 1.369 . . . . 0.0 112.781 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.03 -15.64 61.51 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -2.02 22.76 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.877 1.271 . . . . 0.0 113.757 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.4 tp -83.86 129.98 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.212 1.405 . . . . 0.0 110.853 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -132.86 163.84 28.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.648 1.579 . . . . 0.0 112.53 -169.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -123.4 136.91 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.767 1.627 . . . . 0.0 109.541 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -107.0 116.95 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.066 1.746 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -114.18 101.04 8.83 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 125.396 1.478 . . . . 0.0 109.172 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.14 137.24 56.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.291 1.037 . . . . 0.0 111.449 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.62 -29.99 36.8 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.01 -12.76 14.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.159 1.383 . . . . 0.0 113.783 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 57.54 52.67 8.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.842 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -98.96 -16.22 18.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.047 0.939 . . . . 0.0 113.165 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.22 22.71 77.33 Favored Glycine 0 N--CA 1.444 -0.77 0 O-C-N 121.486 -0.759 . . . . 0.0 113.144 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.6 mm -110.1 123.38 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 170.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -89.7 141.78 28.29 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -167.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -137.32 146.15 44.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 125.772 1.629 . . . . 0.0 110.387 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.55 66.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -63.99 -16.61 61.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -90.56 -1.02 57.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.484 1.514 . . . . 0.0 113.961 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.0 mt -96.3 154.27 17.35 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 126.011 1.725 . . . . 0.0 112.811 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.71 151.9 32.04 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.426 1.49 . . . . 0.0 111.892 167.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.0 p -83.42 153.52 24.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.831 0.853 . . . . 0.0 112.655 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -38.79 88.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.581 -0.699 . . . . 0.0 112.566 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -34.24 72.05 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 121.351 -0.843 . . . . 0.0 112.243 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -72.83 -29.69 63.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.389 -0.819 . . . . 0.0 112.713 172.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.79 -8.58 57.2 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.052 1.741 . . . . 0.0 113.727 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.37 19.95 77.62 Favored Glycine 0 C--N 1.334 0.438 0 CA-C-N 119.602 1.092 . . . . 0.0 115.088 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 69.2 mt -88.85 129.3 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.849 1.66 . . . . 0.0 108.75 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -106.97 -38.93 5.9 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.052 0.941 . . . . 0.0 113.381 -171.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 p -154.25 148.62 26.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.6 mt -109.36 133.87 52.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.633 1.973 . . . . 0.0 109.815 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.95 136.88 33.42 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.293 0.637 . . . . 0.0 111.354 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.14 -16.06 48.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.802 1.241 . . . . 0.0 113.894 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.92 145.86 33.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.586 1.085 . . . . 0.0 112.816 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.9 160.79 38.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.917 1.687 . . . . 0.0 112.933 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -133.04 145.23 50.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.578 1.951 . . . . 0.0 109.494 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . 0.276 3.0 p30 -79.83 151.3 30.34 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.155 0.979 . . . . 0.0 112.947 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.75 -31.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.931 1.692 . . . . 0.0 112.825 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.1 m120 48.31 59.71 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.288 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.08 140.52 48.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.762 1.625 . . . . 0.0 112.516 -173.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.9 141.3 32.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.348 1.059 . . . . 0.0 111.006 165.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.4 mt -110.51 8.22 22.93 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.645 1.578 . . . . 0.0 113.672 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.0 164.64 30.08 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 125.371 1.463 . . . . 0.0 113.022 -164.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.5 10.68 1.02 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.909 1.684 . . . . 0.0 114.95 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.16 13.49 73.15 Favored Glycine 0 N--CA 1.442 -0.943 0 O-C-N 119.865 -1.772 . . . . 0.0 114.966 -171.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -77.87 144.07 37.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.333 1.566 . . . . 0.0 110.018 165.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.1 m -140.27 137.93 34.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -162.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.1 tp -107.11 113.63 27.2 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.904 2.082 . . . . 0.0 110.198 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.71 -52.7 5.88 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 124.208 1.003 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.19 153.33 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.202 1.801 . . . . 0.0 111.039 -174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -130.96 147.09 52.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 0.0 111.448 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.52 -170.63 16.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 127.297 2.379 . . . . 0.0 112.06 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -142.2 143.73 33.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -124.28 160.05 28.85 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.825 1.25 . . . . 0.0 111.726 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 88.7 m -119.62 139.69 51.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.519 1.528 . . . . 0.0 111.296 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -100.33 162.43 12.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 112.896 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 28.1 p -62.76 -25.72 68.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -80.99 9.97 5.79 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.74 -11.53 59.21 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 125.811 1.672 . . . . 0.0 115.6 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.6 p -78.24 162.64 26.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 118.959 1.38 . . . . 0.0 112.674 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 55.7 p -114.5 161.27 18.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -155.14 163.06 40.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.56 1.144 . . . . 0.0 112.433 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -82.16 143.67 31.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.712 1.605 . . . . 0.0 113.555 -170.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.5 ptm -135.12 164.81 26.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.042 1.337 . . . . 0.0 110.102 162.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.71 171.38 39.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -112.72 113.4 25.49 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.243 1.817 . . . . 0.0 110.441 -172.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.85 147.09 35.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.078 1.351 . . . . 0.0 113.537 -170.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 41.9 tp -115.65 116.73 28.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.962 1.305 . . . . 0.0 109.204 159.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.1 139.23 30.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.507 1.523 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.58 139.66 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 112.382 -173.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -138.91 167.8 21.22 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 129.906 3.282 . . . . 0.0 112.993 2.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -69.2 141.04 54.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.694 1.598 . . . . 0.0 113.56 -173.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 55.01 3.36 0.06 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 128.071 2.548 . . . . 0.0 116.128 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 33.8 mt -100.33 167.0 10.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.178 1.391 . . . . 0.0 111.997 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -106.89 175.95 5.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.988 2.115 . . . . 0.0 112.072 -172.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 48.1 p -71.85 -17.27 62.14 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 168.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -95.16 138.16 33.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.996 2.119 . . . . 0.0 111.664 173.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -144.49 126.6 15.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.462 1.105 . . . . 0.0 110.271 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.6 mt 55.42 13.53 0.94 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.953 2.101 . . . . 0.0 116.285 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.881 2.072 . . . . 0.0 111.848 175.704 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 14.8 m -78.46 -4.37 48.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -167.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -128.14 146.1 50.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.414 1.006 . . . . 0.0 112.793 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -158.81 168.65 26.27 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.527 1.531 . . . . 0.0 112.807 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.67 134.84 34.35 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.071 0.948 . . . . 0.0 112.729 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.01 160.69 31.15 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.386 1.874 . . . . 0.0 113.062 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.9 143.4 50.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.54 1.936 . . . . 0.0 111.217 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -86.75 120.75 28.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.438 1.095 . . . . 0.0 111.426 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -88.74 -13.72 38.89 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.546 1.138 . . . . 0.0 113.696 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.15 -17.71 13.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.708 1.203 . . . . 0.0 113.617 -172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.37 36.46 49.9 Favored Glycine 0 C--O 1.219 -0.787 0 C-N-CA 123.705 0.669 . . . . 0.0 113.819 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -124.11 -13.95 7.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.622 1.569 . . . . 0.0 113.172 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 150.55 6.46 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 126.551 2.024 . . . . 0.0 112.337 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.96 132.84 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.166 1.386 . . . . 0.0 109.614 174.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -138.34 149.86 46.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.874 1.67 . . . . 0.0 112.796 -168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -143.07 163.09 33.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.171 1.788 . . . . 0.0 113.45 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.81 174.72 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 128.334 2.654 . . . . 0.0 110.663 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.61 155.39 20.46 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 121.04 -1.037 . . . . 0.0 111.565 156.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.6 p -79.58 162.53 25.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.028 1.331 . . . . 0.0 113.516 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -95.43 158.05 15.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.454 1.502 . . . . 0.0 113.33 170.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.7 174.64 18.07 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 126.017 1.77 . . . . 0.0 114.075 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.05 -15.84 14.42 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.965 1.706 . . . . 0.0 112.8 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.1 p -143.45 168.59 19.47 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.313 2.245 . . . . 0.0 111.109 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.46 -89.76 0.09 OUTLIER Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.727 1.632 . . . . 0.0 113.995 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -64.16 -15.58 60.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.727 1.611 . . . . 0.0 113.792 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -97.28 126.79 42.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.635 1.574 . . . . 0.0 108.152 160.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -126.02 -53.32 1.52 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t0 51.1 28.97 4.31 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 173.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -54.89 -37.47 66.35 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.247 -1.533 . . . . 0.0 114.288 -165.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -99.68 5.0 45.85 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.582 -168.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.7 mmt-85 54.86 31.67 16.21 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.089 1.756 . . . . 0.0 113.82 177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -94.08 -10.53 33.07 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -167.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.75 11.78 60.9 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.804 1.669 . . . . 0.0 115.42 -173.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.31 -52.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.818 1.647 . . . . 0.0 111.483 -171.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -98.92 73.33 1.96 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.212 1.405 . . . . 0.0 108.648 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -104.46 -47.68 4.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.396 -162.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.8 154.87 50.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.425 1.49 . . . . 0.0 112.725 -169.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 p -71.13 162.27 29.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 123.906 0.882 . . . . 0.0 112.271 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.75 148.51 18.85 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 124.796 1.189 . . . . 0.0 113.155 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -148.59 167.37 25.62 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 117.75 0.775 . . . . 0.0 112.018 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.85 151.07 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 112.069 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -63.03 158.74 18.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 111.028 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -9.95 29.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 120.349 -1.47 . . . . 0.0 113.295 170.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.87 3.17 35.0 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 129.338 3.055 . . . . 0.0 113.88 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.34 178.54 8.68 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 130.241 3.416 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.62 163.52 32.63 Favored Glycine 0 N--CA 1.438 -1.223 0 O-C-N 119.848 -1.782 . . . . 0.0 115.407 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 134.97 52.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.036 1.734 . . . . 0.0 110.465 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -81.95 122.99 28.47 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.699 1.199 . . . . 0.0 112.233 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.7 m -145.46 165.76 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.144 1.378 . . . . 0.0 113.452 -168.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -147.36 138.27 23.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.772 2.029 . . . . 0.0 111.563 169.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -82.93 120.66 25.98 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 121.743 -0.598 . . . . 0.0 110.556 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.73 0.48 41.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.803 . . . . 0.0 113.999 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -140.49 9.11 2.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.43 87.06 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 168.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -80.72 -0.85 40.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.643 1.221 . . . . 0.0 114.246 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.91 0.17 89.16 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 117.716 -1.602 . . . . 0.0 115.374 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 pt -131.82 161.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 126.371 1.869 . . . . 0.0 112.89 -175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.2 mm -100.82 109.67 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 126.265 1.826 . . . . 0.0 109.32 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -136.08 -5.11 2.13 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.45 145.99 47.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.617 1.099 . . . . 0.0 111.741 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.36 -19.04 45.55 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.78 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.79 1.295 . . . . 0.0 114.019 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -85.87 -7.25 58.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.623 1.569 . . . . 0.0 114.618 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -91.97 152.06 20.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.776 1.23 . . . . 0.0 110.172 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.03 128.4 35.72 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.714 -0.616 . . . . 0.0 111.57 167.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 177.71 -153.68 13.8 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.212 0.911 . . . . 0.0 112.157 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -27.08 62.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.491 1.116 . . . . 0.0 111.538 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.4 7.51 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.574 -1.329 . . . . 0.0 113.357 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -73.47 129.35 37.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.866 0.866 . . . . 0.0 110.628 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -86.86 134.68 33.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.165 0.986 . . . . 0.0 111.196 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.3 mt -98.62 172.93 7.17 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.222 1.809 . . . . 0.0 114.37 -172.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 -17.81 56.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -97.62 7.11 47.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.827 1.251 . . . . 0.0 113.241 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.04 -5.77 74.59 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 126.062 1.791 . . . . 0.0 115.287 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -76.17 154.7 35.18 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 120.211 2.006 . . . . 0.0 113.384 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -81.77 141.93 33.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.114 -0.991 . . . . 0.0 110.852 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.67 154.37 41.43 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 122.848 1.309 . . . . 0.0 114.363 -168.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -60.75 -40.13 91.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.589 -1.32 . . . . 0.0 110.79 163.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -171.01 168.3 6.99 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 128.695 2.798 . . . . 0.0 109.945 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.42 -24.47 65.78 Favored Glycine 0 C--N 1.337 0.618 0 O-C-N 120.876 -1.14 . . . . 0.0 113.941 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.81 -27.55 65.97 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.609 1.704 . . . . 0.0 112.424 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.87 58.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.442 -1.411 . . . . 0.0 113.126 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.42 -44.8 34.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.641 0.776 . . . . 0.0 112.5 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.96 -34.36 77.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.49 78.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -82.91 -14.53 54.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.8 mt -80.48 -21.9 41.54 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.198 -0.939 . . . . 0.0 112.437 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.55 119.66 8.48 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.625 1.17 . . . . 0.0 111.486 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.0 m -72.21 -19.98 61.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.589 1.155 . . . . 0.0 113.947 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -104.65 -16.25 15.04 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.354 1.462 . . . . 0.0 113.183 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.91 42.49 37.63 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.012 1.291 . . . . 0.0 115.289 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.39 12.89 15.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.14 1.376 . . . . 0.0 113.677 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 t30 58.71 24.57 12.36 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.854 2.461 . . . . 0.0 115.129 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.58 131.17 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.016 1.327 . . . . 0.0 108.187 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.0 mm -89.28 107.46 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -130.03 168.17 17.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.097 1.359 . . . . 0.0 111.859 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.54 13.98 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.88 -23.04 63.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.2 142.61 31.05 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.718 1.207 . . . . 0.0 112.898 -173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.0 90.97 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 120.817 -1.177 . . . . 0.0 113.898 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.97 66.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.411 1.084 . . . . 0.0 113.583 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -57.48 -29.24 64.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.923 0.889 . . . . 0.0 112.229 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.72 -31.12 59.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.271 1.428 . . . . 0.0 112.842 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 m -83.34 -30.42 27.49 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.772 1.229 . . . . 0.0 113.755 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.56 149.0 40.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.023 0.929 . . . . 0.0 113.053 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -134.65 156.73 48.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.763 1.625 . . . . 0.0 110.354 171.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.38 128.21 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 124.058 0.943 . . . . 0.0 108.809 170.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.31 116.36 28.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.204 1.002 . . . . 0.0 109.011 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.54 108.05 17.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.006 1.723 . . . . 0.0 108.831 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -107.02 116.28 31.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.905 0.882 . . . . 0.0 111.214 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.49 -12.34 60.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -112.82 -16.76 12.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 46.8 65.19 1.28 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 126.468 1.907 . . . . 0.0 113.161 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -115.88 -8.57 11.92 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.599 1.56 . . . . 0.0 114.06 -171.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.98 10.95 84.12 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 125.225 1.393 . . . . 0.0 114.69 -173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.9 125.84 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-N 119.784 1.792 . . . . 0.0 108.523 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -82.3 137.92 34.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.52 0.728 . . . . 0.0 111.922 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.1 147.46 51.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.521 1.128 . . . . 0.0 110.379 165.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.76 76.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -62.26 -19.32 63.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -86.06 -7.61 58.5 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.776 1.63 . . . . 0.0 112.9 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.95 127.39 36.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.754 1.222 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -106.81 140.23 39.97 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.508 1.923 . . . . 0.0 109.892 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -72.13 159.12 34.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 161.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.32 -32.93 73.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.212 -0.93 . . . . 0.0 111.781 171.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.18 -34.49 63.79 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.35 -19.45 63.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.445 -2.034 . . . . 0.0 113.631 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.72 -2.14 58.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.619 1.568 . . . . 0.0 112.783 170.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.12 25.08 74.61 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.523 1.059 . . . . 0.0 114.753 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.7 mt -77.29 142.81 13.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 118.486 1.143 . . . . 0.0 109.559 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.0 -47.99 3.16 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.312 1.445 . . . . 0.0 112.537 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -155.55 143.41 19.82 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.6 mt -117.24 100.35 7.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.254 2.622 . . . . 0.0 109.431 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -79.99 119.5 22.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.749 0.82 . . . . 0.0 111.007 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.4 mt -80.59 2.7 24.55 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 114.733 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.45 41.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.442 1.019 . . . . 0.0 112.046 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -146.58 152.28 38.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -116.14 143.13 45.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.974 2.51 . . . . 0.0 110.49 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.26 129.47 40.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.715 1.206 . . . . 0.0 110.63 171.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.14 -28.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m120 48.5 51.2 15.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.93 2.092 . . . . 0.0 115.707 166.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.35 140.32 31.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.79 1.636 . . . . 0.0 112.787 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -81.47 128.13 33.55 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.196 0.998 . . . . 0.0 108.879 162.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 37.4 mt -109.24 9.19 25.97 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 113.668 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 82.59 164.12 34.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 124.572 1.082 . . . . 0.0 113.638 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 53.33 29.38 8.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.06 1.744 . . . . 0.0 114.88 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.76 2.78 78.16 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 126.201 1.858 . . . . 0.0 115.28 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -95.15 144.15 26.01 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.977 1.311 . . . . 0.0 112.816 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -136.16 138.73 42.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 111.753 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -106.6 104.7 14.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.658 1.583 . . . . 0.0 109.186 168.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.03 -47.47 11.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -133.09 134.64 44.55 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.395 1.478 . . . . 0.0 110.721 -168.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -137.24 136.23 37.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.963 1.305 . . . . 0.0 113.116 -170.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.82 -167.27 13.28 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 127.221 2.344 . . . . 0.0 112.436 165.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.6 t -140.02 149.42 43.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.896 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -130.15 165.92 21.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.517 1.527 . . . . 0.0 112.292 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 83.0 m -128.3 141.43 51.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.351 1.061 . . . . 0.0 112.087 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -101.75 159.97 14.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.594 1.958 . . . . 0.0 113.408 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 61.8 p -64.19 -27.97 69.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -77.98 -1.65 33.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.64 -6.67 74.26 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.693 1.616 . . . . 0.0 115.302 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 65.1 p -75.16 155.94 36.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.814 1.307 . . . . 0.0 112.114 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 64.2 p -135.07 152.28 51.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.003 1.321 . . . . 0.0 111.933 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.2 40.32 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.263 1.425 . . . . 0.0 111.434 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -77.65 156.51 30.7 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.0 ptm -139.47 157.91 45.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.533 1.933 . . . . 0.0 109.64 167.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.79 174.19 43.04 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 121.191 1.814 . . . . 0.0 117.493 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -85.07 108.69 17.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.23 1.812 . . . . 0.0 110.41 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.4 mt -96.45 127.77 42.76 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.287 1.435 . . . . 0.0 110.608 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -89.81 111.0 21.89 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 158.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.07 149.74 20.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.963 0.905 . . . . 0.0 110.757 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.27 144.26 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.574 -0.704 . . . . 0.0 112.203 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -141.85 176.2 9.12 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.126 1.371 . . . . 0.0 111.17 -171.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.62 126.46 28.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.55 0.691 . . . . 0.0 111.493 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -116.41 146.64 42.36 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.172 1.789 . . . . 0.0 111.008 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 96.2 mt -120.07 125.97 49.6 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.855 1.662 . . . . 0.0 110.397 171.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -147.66 -20.0 0.37 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 7.6 t -157.07 157.56 34.82 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 120.642 1.564 . . . . 0.0 114.046 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -112.32 10.03 19.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.069 2.147 . . . . 0.0 112.604 167.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.55 157.7 46.23 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.841 2.056 . . . . 0.0 113.039 -169.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 62.3 mt 61.95 141.39 0.02 OUTLIER 'General case' 0 C--O 1.233 0.212 0 C-N-CA 127.721 2.408 . . . . 0.0 114.48 -167.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.724 2.01 . . . . 0.0 112.196 -172.271 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.1 m -115.31 3.69 14.28 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.033 1.333 . . . . 0.0 114.15 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.28 166.03 14.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.566 1.146 . . . . 0.0 112.604 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.87 163.88 34.67 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.609 1.164 . . . . 0.0 109.994 170.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.81 116.97 9.91 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.66 168.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.91 146.19 40.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.553 1.541 . . . . 0.0 110.837 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.22 133.02 55.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.706 1.602 . . . . 0.0 110.52 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -77.23 124.65 28.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -81.92 -18.71 42.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.07 -22.12 11.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -166.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.88 43.09 18.65 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.925 0.784 . . . . 0.0 112.81 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -138.48 7.0 2.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.203 1.801 . . . . 0.0 114.428 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.98 24.0 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 125.92 1.724 . . . . 0.0 114.572 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.66 122.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 C-N-CA 124.777 1.231 . . . . 0.0 109.351 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -104.48 144.45 31.66 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.925 1.29 . . . . 0.0 113.111 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -138.37 148.93 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.652 1.181 . . . . 0.0 112.275 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -145.74 164.62 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 C-N-CA 126.594 1.958 . . . . 0.0 111.817 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.62 113.68 15.11 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 125.639 1.576 . . . . 0.0 109.902 169.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.8 p -86.54 -4.87 59.24 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -167.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 51.07 50.1 19.79 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.051 1.34 . . . . 0.0 113.241 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.31 -58.34 5.0 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 125.067 1.318 . . . . 0.0 113.96 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -154.38 16.02 0.46 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -92.12 47.19 1.31 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.595 2.358 . . . . 0.0 113.055 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.29 131.44 52.05 Favored Glycine 0 N--CA 1.443 -0.86 0 O-C-N 121.309 -0.869 . . . . 0.0 112.87 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m 48.75 34.57 5.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.401 2.28 . . . . 0.0 114.632 -170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.03 -49.15 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.651 1.581 . . . . 0.0 110.879 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 57.99 -11.13 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 129.54 3.136 . . . . 0.0 119.444 167.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -81.42 -39.17 25.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 120.049 1.295 . . . . 0.0 113.757 -165.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -133.13 163.75 28.58 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.982 1.713 . . . . 0.0 112.816 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.44 147.59 39.79 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.536 1.135 . . . . 0.0 112.158 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -139.45 133.49 31.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.854 1.262 . . . . 0.0 112.716 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.69 175.92 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 128.201 2.601 . . . . 0.0 115.154 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.58 16.09 8.57 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 125.253 1.406 . . . . 0.0 116.234 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.98 138.37 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 126.253 1.821 . . . . 0.0 109.598 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -98.57 136.39 38.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 123.775 0.83 . . . . 0.0 110.333 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -126.7 172.48 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.658 1.183 . . . . 0.0 112.313 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.72 150.03 48.05 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.549 0.739 . . . . 0.0 112.293 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.82 -19.66 58.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 125.157 1.383 . . . . 0.0 113.053 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.22 114.85 0.5 Allowed Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 126.546 2.022 . . . . 0.0 111.351 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -134.53 165.86 24.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.793 1.637 . . . . 0.0 111.539 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.44 128.13 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 120.489 -1.382 . . . . 0.0 110.843 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -54.23 156.45 3.16 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.389 1.876 . . . . 0.0 113.523 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.48 2.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 113.892 168.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.47 -20.7 50.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.572 1.549 . . . . 0.0 115.083 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.75 -177.84 5.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 127.045 2.138 . . . . 0.0 111.818 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.54 178.74 33.73 Favored Glycine 0 N--CA 1.443 -0.871 0 O-C-N 119.066 -2.271 . . . . 0.0 117.664 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.99 146.65 41.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.639 1.976 . . . . 0.0 113.245 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.43 124.37 29.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.632 1.173 . . . . 0.0 111.343 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.19 159.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.767 1.227 . . . . 0.0 113.384 -170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -156.74 116.43 3.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -70.72 119.72 15.27 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.395 1.078 . . . . 0.0 110.278 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.56 1.07 35.33 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 113.105 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.61 -6.26 19.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.37 1.468 . . . . 0.0 113.494 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.01 75.94 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 115.542 0.977 . . . . 0.0 115.542 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -105.74 -15.0 15.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.47 1.635 . . . . 0.0 113.098 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 26.97 18.33 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-O 117.508 -1.718 . . . . 0.0 114.708 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.01 126.03 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 119.365 1.582 . . . . 0.0 110.743 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.5 mm -100.81 107.95 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 126.369 1.868 . . . . 0.0 109.506 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.02 -6.45 0.75 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -120.17 149.05 42.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.822 1.649 . . . . 0.0 110.519 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.79 -27.42 72.03 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 120.143 -1.598 . . . . 0.0 115.598 -168.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -7.78 48.75 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.21 -7.38 53.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 113.394 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 144.02 28.19 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.774 1.23 . . . . 0.0 109.334 164.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -74.04 106.08 5.56 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 167.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -169.46 -161.24 19.48 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.609 2.052 . . . . 0.0 112.162 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -77.41 9.1 3.47 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.863 -1.375 . . . . 0.0 114.269 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -121.42 1.77 10.18 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.797 1.239 . . . . 0.0 113.772 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -59.09 143.16 49.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.878 1.271 . . . . 0.0 113.741 -170.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -109.94 139.8 44.64 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 125.309 1.444 . . . . 0.0 111.188 172.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.89 160.13 14.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.949 2.1 . . . . 0.0 112.63 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.42 69.79 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.745 1.218 . . . . 0.0 113.494 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.43 -9.22 58.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.669 1.188 . . . . 0.0 113.999 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.49 58.66 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.293 1.901 . . . . 0.0 116.206 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.9 p -89.45 164.69 14.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 119.386 1.593 . . . . 0.0 113.561 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -92.08 153.08 19.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.229 -0.92 . . . . 0.0 112.863 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.18 159.6 18.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.481 1.512 . . . . 0.0 112.536 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.5 -30.14 33.39 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.219 1.007 . . . . 0.0 113.48 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -157.22 162.58 39.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.535 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.94 97.31 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.864 1.221 . . . . 0.0 113.576 -175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.8 -43.43 96.32 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 119.319 1.559 . . . . 0.0 112.504 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.843 1.202 . . . . 0.0 112.305 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.85 63.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 173.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.77 -40.69 20.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.948 1.299 . . . . 0.0 111.943 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.61 -23.16 67.17 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.856 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.41 -20.95 65.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.813 1.645 . . . . 0.0 113.631 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.2 mt -96.57 -8.69 31.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.444 1.498 . . . . 0.0 114.12 -167.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -70.38 113.05 7.15 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 120.023 1.283 . . . . 0.0 109.966 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.7 p -86.12 -14.89 42.84 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.19 1.396 . . . . 0.0 114.444 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -109.93 -22.85 11.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -164.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.26 31.5 61.3 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 119.033 0.833 . . . . 0.0 113.914 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -97.85 -7.4 30.48 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.135 1.374 . . . . 0.0 112.075 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.281 5.3 t30 58.84 30.87 20.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.995 2.518 . . . . 0.0 114.644 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.8 pt -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.888 1.675 . . . . 0.0 111.039 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.93 116.35 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 167.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -149.56 177.71 9.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.798 1.639 . . . . 0.0 111.009 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.73 16.48 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.34 -24.99 66.61 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.8 142.09 28.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.826 1.651 . . . . 0.0 113.053 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.83 68.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.873 1.269 . . . . 0.0 113.533 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.33 62.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.943 1.297 . . . . 0.0 113.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.34 -20.69 64.64 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.841 -1.162 . . . . 0.0 113.217 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.97 -28.28 25.92 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.041 1.337 . . . . 0.0 113.894 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.8 p -105.76 -20.01 13.58 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.4 mt -63.73 140.87 58.91 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.709 1.204 . . . . 0.0 111.701 172.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -139.52 169.64 17.38 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.298 2.239 . . . . 0.0 109.345 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -119.21 127.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 124.177 0.991 . . . . 0.0 109.473 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -91.92 109.0 20.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.073 1.349 . . . . 0.0 109.957 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -110.11 99.7 8.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.271 1.828 . . . . 0.0 107.729 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.21 147.43 36.41 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.724 -0.61 . . . . 0.0 111.879 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.74 -42.21 15.44 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.115 0.966 . . . . 0.0 112.436 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -119.0 -7.32 10.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.26 20.4 mp0 60.57 42.07 14.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.712 2.405 . . . . 0.0 114.341 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -76.25 -25.34 54.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.572 1.549 . . . . 0.0 114.218 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.14 19.66 69.13 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 124.189 0.9 . . . . 0.0 113.834 -166.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.8 mt -129.35 112.01 23.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.84 1.656 . . . . 0.0 107.991 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -84.11 144.33 29.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.21 -0.931 . . . . 0.0 112.561 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -125.85 167.4 15.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.326 1.05 . . . . 0.0 111.945 165.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.4 60.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -91.15 -3.34 57.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.487 1.515 . . . . 0.0 113.333 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -93.1 7.75 42.92 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.385 1.474 . . . . 0.0 113.636 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 147.84 26.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.673 1.189 . . . . 0.0 112.01 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -122.87 147.63 46.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.908 2.083 . . . . 0.0 108.795 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.9 p -79.83 157.95 26.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.788 0.835 . . . . 0.0 111.565 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.75 -33.99 75.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.131 -0.981 . . . . 0.0 111.692 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -46.11 68.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.32 -27.69 64.57 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.828 1.194 . . . . 0.0 111.925 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.26 2.94 16.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.958 1.703 . . . . 0.0 113.585 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.77 79.81 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 119.724 1.147 . . . . 0.0 114.044 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.69 134.75 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 118.815 1.308 . . . . 0.0 110.198 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -94.57 -49.41 5.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.245 1.818 . . . . 0.0 111.277 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.2 p -161.55 168.14 24.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.68 1.192 . . . . 0.0 112.781 173.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.0 135.06 48.13 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.838 1.655 . . . . 0.0 110.299 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -89.45 130.22 35.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.408 1.083 . . . . 0.0 111.543 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.79 12.53 18.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -96.25 93.26 6.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 120.675 1.58 . . . . 0.0 112.498 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.06 144.33 29.22 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.421 1.889 . . . . 0.0 112.801 -173.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -131.05 143.18 50.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.488 1.515 . . . . 0.0 111.999 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.64 136.78 47.47 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.111 0.964 . . . . 0.0 112.093 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -134.07 -26.5 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 126.475 1.91 . . . . 0.0 114.112 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 42.57 45.94 4.09 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 127.322 2.249 . . . . 0.0 115.531 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -105.75 124.63 49.87 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.07 1.348 . . . . 0.0 111.548 -169.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -71.76 131.3 42.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 171.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.0 mt -116.31 -23.09 8.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.084 1.354 . . . . 0.0 113.242 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.99 179.52 38.18 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 125.034 1.302 . . . . 0.0 112.806 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -69.56 96.19 0.91 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.627 1.171 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.79 10.75 75.35 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 125.316 1.436 . . . . 0.0 116.079 -170.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -125.02 122.88 38.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 119.398 1.599 . . . . 0.0 112.248 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.2 m -145.59 137.48 25.37 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.664 1.186 . . . . 0.0 111.083 -168.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.8 tp -102.54 115.85 31.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.957 1.703 . . . . 0.0 110.735 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.12 3.57 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.048 0.939 . . . . 0.0 112.902 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -141.97 145.49 34.54 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.831 1.253 . . . . 0.0 111.325 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -139.17 133.12 30.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.042 1.337 . . . . 0.0 111.997 -162.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.25 -157.21 10.69 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 126.376 1.941 . . . . 0.0 111.837 161.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.5 m -134.7 170.18 16.21 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.254 1.022 . . . . 0.0 112.471 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -131.76 152.49 50.9 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.843 0.857 . . . . 0.0 110.701 160.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.0 m -104.82 138.99 40.25 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.448 1.099 . . . . 0.0 110.076 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -99.28 156.22 17.1 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 126.522 1.929 . . . . 0.0 110.764 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.3 p -60.69 -24.74 65.86 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.898 -1.127 . . . . 0.0 113.842 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -74.01 -1.56 20.46 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.851 1.66 . . . . 0.0 115.073 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.14 2.87 73.64 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 126.898 2.189 . . . . 0.0 115.918 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 170.85 8.35 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 119.314 1.557 . . . . 0.0 112.434 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.6 p -126.46 163.06 24.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.9 164.37 30.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.874 1.269 . . . . 0.0 110.809 160.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -87.52 152.41 22.23 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.285 1.034 . . . . 0.0 113.097 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.2 ptm -150.37 150.43 31.41 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.514 1.126 . . . . 0.0 112.055 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.73 177.62 48.08 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 117.013 1.565 . . . . 0.0 117.013 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -74.52 106.41 6.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 109.675 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.18 120.04 35.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.055 -165.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.8 tp -71.42 123.76 23.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.247 1.819 . . . . 0.0 111.01 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.4 mt -104.21 134.3 47.69 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.81 2.044 . . . . 0.0 109.064 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -99.0 121.85 41.49 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 110.556 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -153.0 168.1 26.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.737 1.215 . . . . 0.0 111.981 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -81.32 147.15 30.01 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 121.501 -0.75 . . . . 0.0 112.956 174.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -70.27 161.63 29.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.923 0.889 . . . . 0.0 110.529 163.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.91 -11.82 61.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -168.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.47 159.02 11.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.669 1.188 . . . . 0.0 113.256 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 89.7 p -71.63 -6.64 42.46 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -66.38 3.76 0.87 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 117.946 2.572 . . . . 0.0 117.946 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.36 -13.92 53.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.532 1.133 . . . . 0.0 113.406 172.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 77.2 mt -118.99 148.92 42.47 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.012 1.325 . . . . 0.0 109.774 157.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 129.696 3.198 . . . . 0.0 113.844 2.143 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.5 m -80.17 59.34 3.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.121 2.168 . . . . 0.0 113.04 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.87 131.28 11.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.04 1.336 . . . . 0.0 109.55 -175.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.17 19.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -170.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.3 tp -88.29 114.07 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.833 1.253 . . . . 0.0 110.391 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 161.52 21.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.374 1.47 . . . . 0.0 114.103 -170.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.66 140.8 48.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.237 1.815 . . . . 0.0 111.522 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -84.56 106.31 16.03 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.241 1.016 . . . . 0.0 112.284 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.01 -17.73 36.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -166.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -113.78 -16.29 12.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.119 1.525 . . . . 0.0 115.119 172.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.5 25.94 24.38 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.342 -1.254 . . . . 0.0 114.528 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.21 10.25 30.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 120.038 1.919 . . . . 0.0 115.424 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 160.55 29.41 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 127.145 2.307 . . . . 0.0 112.691 -171.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.92 117.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -101.72 146.7 27.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 122.259 1.028 . . . . 0.0 113.509 -170.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 p -126.07 162.28 25.67 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 111.67 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.77 150.24 19.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.021 1.329 . . . . 0.0 111.123 -175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.93 138.36 39.65 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.057 0.943 . . . . 0.0 111.901 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.6 p -120.71 -18.21 7.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -171.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -155.5 148.69 24.71 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.294 1.838 . . . . 0.0 111.0 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.2 -148.42 1.03 Allowed Glycine 0 CA--C 1.526 0.76 0 C-N-CA 126.118 1.818 . . . . 0.0 116.475 -175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -130.48 4.09 4.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -165.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -20.28 64.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 120.288 1.404 . . . . 0.0 114.769 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.84 2.69 80.24 Favored Glycine 0 CA--C 1.525 0.656 0 C-N-CA 125.089 1.328 . . . . 0.0 114.745 169.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -110.75 1.44 17.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.205 2.202 . . . . 0.0 113.7 -172.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.79 -30.44 70.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 -164.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -74.19 -28.85 61.47 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.632 1.106 . . . . 0.0 112.66 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -72.94 -34.8 66.78 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 118.861 0.755 . . . . 0.0 111.622 169.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -66.96 -20.95 65.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 170.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -80.02 -13.76 59.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.386 0.994 . . . . 0.0 112.877 169.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -95.02 -53.61 3.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.326 1.451 . . . . 0.0 111.931 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -151.32 -47.02 0.11 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.576 1.15 . . . . 0.0 112.945 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 9.22 87.0 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 126.112 1.815 . . . . 0.0 116.288 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.3 pt -95.7 -7.7 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -137.22 38.09 2.52 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 125.283 1.433 . . . . 0.0 112.662 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -134.49 115.66 14.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.183 0.993 . . . . 0.0 111.025 171.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.3 155.41 15.53 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.897 2.079 . . . . 0.0 111.354 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -116.54 135.93 53.4 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.366 1.466 . . . . 0.0 111.465 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.84 172.61 43.26 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 -174.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -154.23 173.65 15.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.911 1.684 . . . . 0.0 112.873 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.14 129.73 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 124.395 1.078 . . . . 0.0 110.384 172.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 156.93 31.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.459 1.104 . . . . 0.0 113.352 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -16.38 6.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.6 -33.02 72.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.663 1.585 . . . . 0.0 112.883 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -125.41 -177.01 3.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.537 1.935 . . . . 0.0 113.34 -170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.39 159.3 26.71 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 120.965 -1.084 . . . . 0.0 113.597 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.49 150.06 47.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.731 1.212 . . . . 0.0 112.674 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -79.75 133.99 36.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.287 1.035 . . . . 0.0 112.264 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.45 155.26 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.462 1.905 . . . . 0.0 111.929 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -151.58 127.46 10.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.185 1.394 . . . . 0.0 110.417 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -72.0 115.57 11.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.886 0.474 . . . . 0.0 110.308 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.11 -3.56 33.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.696 0.798 . . . . 0.0 112.705 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -101.32 -5.03 25.96 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.418 1.887 . . . . 0.0 114.713 171.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.87 19.14 67.27 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 116.467 1.347 . . . . 0.0 116.467 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -96.05 -15.07 22.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 120.13 1.965 . . . . 0.0 112.779 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.39 18.55 41.69 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 126.065 1.793 . . . . 0.0 115.886 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mt -123.53 133.38 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 124.733 1.213 . . . . 0.0 111.386 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -103.77 120.1 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.617 1.967 . . . . 0.0 109.598 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.76 -10.73 2.36 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -135.69 160.56 38.15 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.16 0.984 . . . . 0.0 113.141 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.68 62.96 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 124.397 0.999 . . . . 0.0 113.886 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.65 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.157 1.783 . . . . 0.0 114.286 172.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -93.37 17.29 11.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.158 1.383 . . . . 0.0 113.336 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.85 151.98 26.33 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 128.087 2.555 . . . . 0.0 110.665 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -85.73 113.42 21.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.238 0.615 . . . . 0.0 109.821 162.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.34 -140.76 3.79 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 125.833 1.682 . . . . 0.0 112.288 -166.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -79.31 -14.94 58.68 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.402 1.481 . . . . 0.0 114.833 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.48 27.35 6.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.793 1.637 . . . . 0.0 114.156 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 m -60.79 149.64 35.17 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.425 1.49 . . . . 0.0 112.426 -170.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -115.7 128.58 56.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.502 -1.373 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -73.14 162.26 29.63 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.936 0.894 . . . . 0.0 112.152 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.1 72.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.966 -1.083 . . . . 0.0 113.319 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.89 -8.99 58.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.096 1.359 . . . . 0.0 113.234 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.06 -1.17 60.78 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 125.924 1.726 . . . . 0.0 115.953 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -72.14 153.17 41.82 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 120.168 1.984 . . . . 0.0 113.031 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.79 143.52 39.78 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 111.296 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.37 120.49 16.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.299 1.439 . . . . 0.0 111.637 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -70.74 -23.17 62.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.706 1.602 . . . . 0.0 113.472 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 116.09 24.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.746 1.218 . . . . 0.0 112.453 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.18 -29.8 66.05 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 124.445 1.021 . . . . 0.0 114.868 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -37.96 62.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.292 1.546 . . . . 0.0 110.382 175.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.26 90.38 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 120.804 -1.185 . . . . 0.0 112.645 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.85 96.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.424 -0.798 . . . . 0.0 112.919 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.96 -37.41 79.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.114 0.966 . . . . 0.0 111.605 172.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.01 67.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -69.99 -8.64 50.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.6 mt -88.13 2.41 52.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -75.08 119.01 18.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 120.474 -1.392 . . . . 0.0 111.019 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -90.39 -16.32 29.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.534 1.533 . . . . 0.0 113.845 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.45 -14.12 14.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -165.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.42 34.6 79.99 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 125.424 1.488 . . . . 0.0 114.774 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -103.21 -3.21 26.06 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.251 1.82 . . . . 0.0 112.462 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 60.51 27.86 17.52 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 127.389 2.276 . . . . 0.0 114.606 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.99 159.16 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.839 1.656 . . . . 0.0 111.934 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -106.55 116.16 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 124.42 1.088 . . . . 0.0 109.429 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.25 175.92 13.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.254 1.821 . . . . 0.0 111.996 -167.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.43 17.52 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.18 -12.13 59.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -79.97 138.26 37.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 119.924 1.238 . . . . 0.0 114.338 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.02 -28.65 69.2 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.14 52.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.5 -36.76 71.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -78.46 -15.1 59.0 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.559 1.072 . . . . 0.0 113.68 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -83.43 -21.26 33.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.416 1.486 . . . . 0.0 112.802 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.68 135.63 39.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.772 0.829 . . . . 0.0 110.818 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -137.86 166.27 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.087 1.755 . . . . 0.0 110.476 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.98 135.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.204 1.402 . . . . 0.0 109.762 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -102.49 125.85 49.34 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.986 1.314 . . . . 0.0 110.406 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -125.25 117.78 24.57 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 125.958 1.703 . . . . 0.0 109.819 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -111.04 105.55 14.34 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 123.659 0.783 . . . . 0.0 111.82 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 53.1 mt -77.58 -10.68 59.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.102 0.961 . . . . 0.0 113.081 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.56 -17.75 12.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 56.26 33.13 21.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.613 1.965 . . . . 0.0 116.195 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -80.1 1.55 27.51 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.822 -1.174 . . . . 0.0 113.465 171.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.85 7.08 58.3 Favored Glycine 0 N--CA 1.445 -0.73 0 O-C-N 120.583 -1.323 . . . . 0.0 115.223 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.74 134.91 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 126.715 2.006 . . . . 0.0 109.143 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.2 p -87.89 128.01 35.36 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 0.0 111.279 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.17 152.43 36.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.253 1.421 . . . . 0.0 110.273 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.41 -32.3 68.52 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -64.83 -22.98 67.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.17 5.83 28.38 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.516 1.526 . . . . 0.0 113.554 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -105.02 126.5 52.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.674 1.59 . . . . 0.0 111.76 -170.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -110.09 143.85 39.55 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.412 1.885 . . . . 0.0 110.285 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -73.93 164.61 26.4 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.679 0.792 . . . . 0.0 110.532 158.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.83 -33.23 75.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.279 -0.888 . . . . 0.0 111.33 169.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.15 -37.58 57.78 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.28 -17.72 61.86 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.7 -10.4 55.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.099 1.36 . . . . 0.0 113.389 167.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 33.41 80.17 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 125.339 1.447 . . . . 0.0 113.876 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.55 137.99 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 C-N-CA 124.318 1.047 . . . . 0.0 109.435 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.86 -43.65 3.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.343 1.457 . . . . 0.0 112.093 -173.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.9 m -153.96 151.69 29.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.885 1.274 . . . . 0.0 113.102 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.76 140.36 48.96 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.774 1.63 . . . . 0.0 110.345 168.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -92.72 134.56 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.896 0.879 . . . . 0.0 111.654 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.1 -5.49 52.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.011 1.324 . . . . 0.0 114.389 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.84 113.39 22.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.243 1.417 . . . . 0.0 111.243 174.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -130.11 168.13 17.26 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.966 1.306 . . . . 0.0 113.099 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -142.02 152.14 43.11 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.839 2.055 . . . . 0.0 111.074 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -80.12 132.4 35.93 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.088 0.955 . . . . 0.0 112.516 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.58 -25.68 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.102 1.361 . . . . 0.0 114.034 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 45.73 42.44 8.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 126.209 1.804 . . . . 0.0 115.463 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -83.43 121.49 27.25 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 126.797 2.039 . . . . 0.0 112.08 -172.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.63 137.2 56.55 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.205 -0.934 . . . . 0.0 111.839 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.4 mt -110.64 -8.76 14.57 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.697 1.599 . . . . 0.0 114.186 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 96.99 164.66 32.54 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 125.433 1.492 . . . . 0.0 113.605 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.68 30.77 9.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.026 1.731 . . . . 0.0 114.114 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.72 90.55 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -94.11 151.38 19.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.878 1.839 . . . . 0.0 112.105 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.4 m -141.93 137.33 31.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.28 1.032 . . . . 0.0 111.474 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 22.6 tp -91.33 113.77 26.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.426 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.24 -57.56 3.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -131.24 135.51 47.42 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.442 1.497 . . . . 0.0 111.454 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -122.18 144.9 48.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 112.009 -172.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.33 -162.87 9.42 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 127.826 2.631 . . . . 0.0 111.248 166.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.8 m -131.69 151.42 51.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.866 -1.373 . . . . 0.0 114.297 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -123.69 159.56 29.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.575 1.15 . . . . 0.0 111.63 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.6 m -118.31 134.77 54.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.982 1.713 . . . . 0.0 110.906 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -96.47 158.76 15.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.873 1.669 . . . . 0.0 111.839 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.7 p -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -77.62 3.75 13.04 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.62 0.79 87.84 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 125.341 1.448 . . . . 0.0 115.807 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.0 p -80.21 159.21 26.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 119.449 1.625 . . . . 0.0 112.611 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.1 p -127.71 147.12 50.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.042 1.337 . . . . 0.0 112.536 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.54 168.54 23.95 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.655 1.982 . . . . 0.0 109.857 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.06 154.19 24.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -171.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.2 ptm -139.6 156.39 46.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.497 1.919 . . . . 0.0 109.727 169.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.33 41.07 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 117.261 1.664 . . . . 0.0 117.261 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.79 107.81 19.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.063 2.145 . . . . 0.0 111.454 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.28 148.09 22.79 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 125.045 1.338 . . . . 0.0 113.962 -171.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.09 120.43 41.27 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.769 2.428 . . . . 0.0 107.509 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.7 mt -110.63 147.47 34.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.441 0.697 . . . . 0.0 111.679 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.07 30.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -160.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -92.25 170.59 9.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 -159.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.14 150.31 37.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.564 1.545 . . . . 0.0 112.77 173.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.69 119.27 7.45 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.935 1.694 . . . . 0.0 109.653 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 76.5 mt -138.8 -15.8 1.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.883 1.673 . . . . 0.0 113.372 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -77.94 -33.3 51.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.57 1.548 . . . . 0.0 113.304 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 37.4 m -81.69 44.05 0.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.276 2.231 . . . . 0.0 113.76 -171.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -61.81 -24.52 66.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 6.0 t80 61.31 -37.96 0.11 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 129.739 3.216 . . . . 0.0 117.725 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 58.8 mt -117.04 -10.9 10.82 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 126.277 1.831 . . . . 0.0 112.952 -168.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.45 1.9 . . . . 0.0 113.493 -162.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.0 m -133.75 143.9 48.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.703 1.201 . . . . 0.0 110.108 172.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -105.89 160.45 15.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.92 165.23 34.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.38 1.872 . . . . 0.0 111.15 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tt -98.32 121.27 40.05 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 124.766 1.226 . . . . 0.0 109.122 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.15 146.67 41.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.36 1.464 . . . . 0.0 111.97 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.27 137.1 51.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.382 1.873 . . . . 0.0 110.353 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -77.51 103.46 7.45 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.178 1.391 . . . . 0.0 109.355 166.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -90.18 -34.88 15.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.082 -1.011 . . . . 0.0 113.251 -170.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -84.8 -19.04 33.16 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.217 1.372 . . . . 0.0 113.623 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.07 55.52 2.49 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 119.649 1.113 . . . . 0.0 114.206 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -140.33 10.8 2.33 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.01 147.53 11.67 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 126.378 1.942 . . . . 0.0 113.205 -172.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.96 130.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.373 -1.075 . . . . 0.0 109.216 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -127.5 145.78 50.73 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.8 p -119.73 158.66 26.04 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 124.873 1.269 . . . . 0.0 112.234 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.03 151.44 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 126.016 1.726 . . . . 0.0 111.217 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 136.8 44.21 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 123.227 0.611 . . . . 0.0 110.19 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 p -65.17 157.47 28.66 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -167.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 60.07 -3.41 0.12 Allowed 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.545 2.738 . . . . 0.0 118.254 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.63 79.37 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 119.28 0.945 . . . . 0.0 113.921 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -159.89 133.82 7.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.656 1.582 . . . . 0.0 110.371 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -85.99 -2.81 58.65 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.27 172.6 47.97 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 118.866 0.757 . . . . 0.0 113.172 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 p -148.17 -47.41 0.16 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.002 1.321 . . . . 0.0 112.453 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -153.15 144.34 23.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.853 1.661 . . . . 0.0 111.983 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -156.47 151.2 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.852 0.861 . . . . 0.0 112.546 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.05 154.26 7.84 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.688 1.995 . . . . 0.0 114.171 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -105.23 -7.6 18.87 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -171.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -82.78 -11.87 57.95 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -163.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -122.01 142.8 49.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.323 1.449 . . . . 0.0 112.974 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -78.48 145.29 35.07 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.607 1.963 . . . . 0.0 113.052 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.08 18.2 57.04 Favored Glycine 0 C--O 1.22 -0.767 0 C-N-CA 125.396 1.474 . . . . 0.0 115.716 163.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -78.22 -18.24 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.744 1.618 . . . . 0.0 113.416 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -135.12 134.14 39.94 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.894 1.678 . . . . 0.0 110.56 168.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 p -142.73 146.49 34.39 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 124.706 1.203 . . . . 0.0 111.856 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.81 166.58 0.05 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 127.813 2.445 . . . . 0.0 116.723 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.0 m -130.78 -17.51 3.18 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.784 1.634 . . . . 0.0 113.357 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.19 150.21 18.79 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 114.534 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -147.25 172.36 13.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.285 2.234 . . . . 0.0 111.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.7 t -84.62 135.19 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 124.89 1.276 . . . . 0.0 111.716 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 145.34 17.7 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.722 1.609 . . . . 0.0 112.589 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.44 -16.13 63.87 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -80.49 -10.64 59.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.401 1.48 . . . . 0.0 114.093 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -116.08 178.26 4.38 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.292 2.637 . . . . 0.0 111.693 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.25 167.9 37.03 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 120.686 -1.259 . . . . 0.0 115.703 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.53 136.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.221 1.808 . . . . 0.0 111.325 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 tp -77.24 135.58 38.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 170.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.04 153.21 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 119.544 1.065 . . . . 0.0 113.378 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -136.92 158.66 43.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.401 1.881 . . . . 0.0 109.989 164.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.13 113.06 25.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.58 -20.53 60.59 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.637 1.575 . . . . 0.0 114.816 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.3 p30 -116.13 -9.8 11.61 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.192 1.397 . . . . 0.0 114.157 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.82 85.98 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 125.879 1.704 . . . . 0.0 116.708 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -79.49 -10.7 59.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 120.124 1.962 . . . . 0.0 114.735 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.29 9.0 84.45 Favored Glycine 0 C--N 1.338 0.663 0 O-C-N 120.244 -1.535 . . . . 0.0 116.272 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.63 148.45 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 126.231 1.813 . . . . 0.0 109.606 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.75 127.71 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.282 -1.512 . . . . 0.0 110.816 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.54 -22.56 8.07 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 125.795 1.638 . . . . 0.0 113.669 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -148.75 151.25 34.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.843 1.257 . . . . 0.0 111.501 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.23 -19.47 52.24 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 124.952 1.263 . . . . 0.0 114.639 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -17.18 33.41 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 170.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.63 -13.73 60.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 120.028 1.285 . . . . 0.0 113.952 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.76 146.0 24.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.85 1.66 . . . . 0.0 109.51 171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -76.75 102.87 6.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.499 -0.751 . . . . 0.0 110.299 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.55 174.41 41.31 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 125.899 1.714 . . . . 0.0 111.045 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.47 -10.99 60.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -164.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -91.81 6.38 46.27 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.065 1.346 . . . . 0.0 113.764 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -78.33 163.86 25.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.772 -1.205 . . . . 0.0 114.231 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -104.97 156.88 17.63 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.71 1.604 . . . . 0.0 112.104 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.99 166.38 22.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.801 1.641 . . . . 0.0 110.705 164.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.59 -20.84 65.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -87.79 6.28 36.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.762 1.225 . . . . 0.0 114.048 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.05 -5.19 85.63 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 125.422 1.487 . . . . 0.0 115.881 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 m -67.86 144.83 55.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 119.842 1.821 . . . . 0.0 112.3 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -72.05 126.92 30.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 121.432 -0.792 . . . . 0.0 110.943 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.57 144.44 35.55 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -72.16 -25.26 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.27 1.028 . . . . 0.0 113.718 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -157.51 160.6 38.4 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.983 2.513 . . . . 0.0 109.019 166.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.6 62.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -67.77 -31.11 70.78 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 125.023 1.329 . . . . 0.0 113.172 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.06 71.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.895 -1.128 . . . . 0.0 113.616 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.91 52.35 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.498 1.119 . . . . 0.0 113.585 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.72 -43.31 31.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.04 0.936 . . . . 0.0 111.656 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.45 73.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -70.49 -5.69 30.66 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.97 -18.95 57.9 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.157 0.983 . . . . 0.0 113.46 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -67.82 124.69 24.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.092 0.957 . . . . 0.0 111.219 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.4 p -91.06 -35.59 14.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -110.56 -6.98 14.76 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.655 1.982 . . . . 0.0 114.709 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.95 22.09 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.456 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -101.37 1.91 39.01 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.814 1.646 . . . . 0.0 113.309 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.256 0.9 OUTLIER 67.98 21.63 8.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.663 2.385 . . . . 0.0 115.56 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -133.86 148.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 125.344 1.457 . . . . 0.0 111.912 168.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mm -100.0 103.07 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -135.51 172.68 12.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -166.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.96 -17.51 6.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.137 1.902 . . . . 0.0 116.137 -169.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.31 -26.73 32.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 120.049 1.295 . . . . 0.0 114.323 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -68.2 137.49 54.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 120.417 -1.427 . . . . 0.0 112.273 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.41 70.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.147 -0.971 . . . . 0.0 113.287 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -25.06 60.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 124.665 1.186 . . . . 0.0 114.107 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.66 -25.94 68.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -81.14 -29.52 34.73 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -92.76 -28.98 16.26 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 125.088 1.355 . . . . 0.0 114.241 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.9 148.48 25.45 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.038 1.335 . . . . 0.0 112.206 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -133.96 165.05 25.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.099 1.36 . . . . 0.0 110.836 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.7 t -114.26 131.08 67.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 C-N-CA 125.602 1.561 . . . . 0.0 108.935 167.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -117.59 135.9 53.65 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.162 1.785 . . . . 0.0 112.396 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -140.1 147.3 40.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.605 1.962 . . . . 0.0 107.575 165.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -138.85 114.61 9.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.194 0.998 . . . . 0.0 110.724 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.4 -22.81 58.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.272 0.629 . . . . 0.0 112.156 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -98.64 -11.71 21.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.37 1.468 . . . . 0.0 113.177 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 51.52 42.55 29.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.236 1.415 . . . . 0.0 113.893 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -110.3 17.92 20.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.234 1.414 . . . . 0.0 113.701 -169.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 5.65 80.4 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 168.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.5 mt -133.11 143.57 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 C-N-CA 126.961 2.105 . . . . 0.0 108.884 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.9 p -97.34 167.97 10.69 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.428 1.491 . . . . 0.0 114.309 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -142.15 164.04 31.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.379 2.272 . . . . 0.0 109.463 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.83 89.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -67.58 -23.93 65.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -81.85 -11.06 59.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.311 1.444 . . . . 0.0 112.817 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.48 136.9 52.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.704 2.002 . . . . 0.0 111.849 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -135.9 149.35 48.94 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.607 1.563 . . . . 0.0 110.765 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.6 p -84.35 154.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.375 1.07 . . . . 0.0 111.711 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.04 -31.84 71.47 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.991 0.916 . . . . 0.0 111.366 170.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.05 -49.43 74.61 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.26 1.424 . . . . 0.0 112.654 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -24.8 63.72 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.073 -1.017 . . . . 0.0 112.867 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.84 -2.33 32.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 168.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.72 22.67 76.87 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-N 119.644 1.111 . . . . 0.0 114.278 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.2 mt -83.0 146.85 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 109.351 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -113.59 -41.81 3.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.567 1.547 . . . . 0.0 112.812 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -147.89 146.24 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.7 mt -110.46 122.21 47.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.205 2.202 . . . . 0.0 107.94 162.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -93.47 124.62 37.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 118.797 0.726 . . . . 0.0 111.665 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.7 -8.97 57.99 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.11 117.3 13.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 120.158 1.344 . . . . 0.0 112.644 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -109.63 150.53 28.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 114.56 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -111.32 144.41 40.56 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 128.109 2.564 . . . . 0.0 109.723 164.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -82.44 136.31 34.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.855 0.862 . . . . 0.0 112.282 172.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.6 -26.3 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 36.94 57.07 1.21 Allowed 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.329 2.252 . . . . 0.0 115.714 168.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -120.18 146.87 45.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 126.021 1.728 . . . . 0.0 114.387 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -84.89 120.14 26.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.497 1.519 . . . . 0.0 110.839 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.5 mt -88.8 -7.05 56.89 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.011 1.324 . . . . 0.0 113.724 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.04 144.07 4.45 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 126.359 1.933 . . . . 0.0 111.554 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 46.2 35.13 2.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 115.689 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 12.97 72.44 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.55 123.67 33.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.968 1.384 . . . . 0.0 109.73 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 83.1 m -123.45 122.57 38.58 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -163.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 tp -92.35 117.58 30.05 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.435 1.894 . . . . 0.0 109.632 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.37 -53.48 4.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.147 0.979 . . . . 0.0 112.968 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -130.52 153.74 48.52 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 124.704 1.202 . . . . 0.0 110.748 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -135.87 140.99 44.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.358 1.463 . . . . 0.0 111.645 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.6 -163.14 9.56 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 127.608 2.528 . . . . 0.0 111.303 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -138.52 158.33 44.46 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -121.91 151.96 40.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 126.42 1.888 . . . . 0.0 110.607 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 17.1 m -116.85 136.79 52.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.828 1.651 . . . . 0.0 110.59 -172.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.34 159.14 15.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.259 1.823 . . . . 0.0 113.013 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 75.8 p -66.58 -18.04 65.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -78.0 -8.28 57.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.001 1.32 . . . . 0.0 114.527 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 96.13 0.88 61.43 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 125.971 1.748 . . . . 0.0 115.92 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -83.86 159.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 119.704 1.752 . . . . 0.0 112.926 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.0 p -130.11 153.09 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.265 1.426 . . . . 0.0 112.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.24 162.91 39.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.826 1.25 . . . . 0.0 112.524 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -78.56 152.23 32.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.767 1.627 . . . . 0.0 114.946 -169.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -147.9 160.33 42.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.031 1.732 . . . . 0.0 111.444 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.05 176.75 48.15 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 117.582 1.793 . . . . 0.0 117.582 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -90.11 107.67 19.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.246 2.218 . . . . 0.0 111.404 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -123.7 116.55 23.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.76 1.624 . . . . 0.0 111.124 -162.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 66.0 tp -88.04 116.36 26.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.553 1.941 . . . . 0.0 109.688 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.14 147.6 22.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.307 1.043 . . . . 0.0 111.68 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.67 41.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.861 1.264 . . . . 0.0 113.661 -172.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -73.4 173.98 8.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.64 1.576 . . . . 0.0 111.693 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -64.22 128.41 35.69 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.293 1.437 . . . . 0.0 111.911 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -85.04 54.19 3.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.977 1.311 . . . . 0.0 112.457 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 92.8 mt -117.18 129.32 55.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.996 1.718 . . . . 0.0 109.368 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -117.09 -13.39 10.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.36 1.464 . . . . 0.0 113.989 -166.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 67.7 m -86.68 82.32 7.92 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.423 1.089 . . . . 0.0 109.016 165.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -107.11 133.01 52.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.003 -166.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -147.73 -34.07 0.25 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.306 1.442 . . . . 0.0 113.392 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 68.3 mt -106.16 -47.44 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -163.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.338 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -169.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.9 p -150.05 21.58 0.87 Allowed 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.271 1.428 . . . . 0.0 114.799 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 168.99 6.1 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -128.71 169.16 14.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.777 2.431 . . . . 0.0 111.761 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.15 122.28 43.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.38 1.072 . . . . 0.0 111.445 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.48 152.42 40.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.746 1.618 . . . . 0.0 114.162 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -125.78 144.13 50.76 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.205 2.202 . . . . 0.0 111.622 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -87.72 94.81 9.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.48 -14.06 36.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -164.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -102.7 -7.81 21.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 119.979 1.263 . . . . 0.0 113.465 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.52 28.6 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 168.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -122.19 19.57 10.68 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 120.212 2.006 . . . . 0.0 114.037 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.86 151.62 26.97 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.935 2.207 . . . . 0.0 113.639 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.45 130.82 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.395 1.078 . . . . 0.0 109.914 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -125.65 149.12 48.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.819 1.648 . . . . 0.0 112.461 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.8 p -127.82 153.54 46.47 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.326 1.45 . . . . 0.0 112.373 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.86 165.94 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 127.169 2.188 . . . . 0.0 110.697 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.16 151.63 46.12 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 121.55 -0.719 . . . . 0.0 110.781 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 p -68.5 137.66 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.707 -0.621 . . . . 0.0 110.243 164.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -133.05 -18.35 2.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.721 2.008 . . . . 0.0 114.146 -168.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 -16.19 80.97 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.979 1.551 . . . . 0.0 116.979 -169.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.18 174.23 10.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 119.61 1.705 . . . . 0.0 114.362 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 m -79.67 24.98 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -166.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.93 -174.68 52.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 125.173 1.368 . . . . 0.0 115.691 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 m -114.6 55.85 0.74 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.833 2.053 . . . . 0.0 110.635 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -90.89 -44.51 9.34 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.015 1.326 . . . . 0.0 113.043 -167.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -135.77 163.07 31.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.461 1.505 . . . . 0.0 112.86 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.91 124.62 21.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.099 0.96 . . . . 0.0 113.326 -172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -98.09 2.81 49.06 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.313 1.445 . . . . 0.0 114.054 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 59.11 41.68 20.15 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 125.01 1.324 . . . . 0.0 113.257 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 54.83 35.49 24.33 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 127.044 2.138 . . . . 0.0 114.869 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.46 61.12 1.24 Allowed 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 127.026 2.13 . . . . 0.0 112.522 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.37 -151.28 52.22 Favored Glycine 0 C--N 1.337 0.603 0 O-C-N 120.64 -1.287 . . . . 0.0 115.59 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.18 15.48 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -159.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.24 -6.55 14.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 O-C-N 118.991 -2.318 . . . . 0.0 115.491 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -18.56 59.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.697 1.599 . . . . 0.0 113.189 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 129.94 40.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p -107.32 -24.74 11.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.098 2.159 . . . . 0.0 113.322 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.15 153.45 19.45 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 125.096 1.332 . . . . 0.0 114.952 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -147.34 171.58 15.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.279 1.831 . . . . 0.0 112.306 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.54 135.51 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.067 1.347 . . . . 0.0 110.677 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -55.18 151.61 9.18 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.1 1.36 . . . . 0.0 113.319 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.52 -11.14 59.47 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.98 -5.28 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.617 1.167 . . . . 0.0 113.23 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -122.87 179.78 4.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 129.126 2.97 . . . . 0.0 112.215 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.74 -174.65 34.71 Favored Glycine 0 CA--C 1.524 0.623 0 O-C-N 120.349 -1.469 . . . . 0.0 115.898 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.8 mt -117.62 147.88 42.46 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 126.19 1.796 . . . . 0.0 112.372 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -83.87 129.52 34.93 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.262 1.025 . . . . 0.0 110.677 170.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.9 161.74 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.754 1.622 . . . . 0.0 112.525 -172.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -151.33 128.69 11.3 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 125.123 1.369 . . . . 0.0 111.758 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.24 113.46 15.01 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.757 -0.589 . . . . 0.0 110.091 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -76.47 -1.81 29.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.088 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.5 -17.32 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.649 1.58 . . . . 0.0 113.496 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 25.14 56.7 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -108.22 -7.94 15.86 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.969 1.884 . . . . 0.0 113.563 170.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.52 26.12 31.06 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.961 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.54 126.48 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 119.052 1.426 . . . . 0.0 110.819 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm -97.97 123.96 50.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 126.031 1.733 . . . . 0.0 108.576 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.32 -24.09 0.11 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -86.94 143.85 27.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.057 1.343 . . . . 0.0 110.402 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.71 -26.26 64.68 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 120.499 -1.375 . . . . 0.0 114.797 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.17 -9.43 58.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -86.26 6.35 30.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.798 1.239 . . . . 0.0 113.891 -171.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.42 157.29 17.13 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.877 2.071 . . . . 0.0 110.544 164.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -84.52 136.49 33.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 162.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.12 40.69 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.089 0.796 . . . . 0.0 115.089 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.96 -22.7 67.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -91.06 -6.1 54.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.459 1.104 . . . . 0.0 113.301 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.8 m -68.13 139.59 56.16 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.745 -1.222 . . . . 0.0 110.685 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -112.46 151.86 29.41 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -83.13 167.76 17.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 127.548 2.339 . . . . 0.0 110.287 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -34.69 66.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -96.98 7.27 47.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.759 1.224 . . . . 0.0 113.864 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.49 -1.17 57.04 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 m -66.19 152.41 44.89 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 120.373 2.086 . . . . 0.0 111.271 166.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -76.68 147.69 37.3 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.166 -0.959 . . . . 0.0 111.348 171.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.3 66.35 6.51 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.551 1.54 . . . . 0.0 110.481 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.37 -30.51 69.47 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.163 1.385 . . . . 0.0 114.356 -172.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -77.52 136.41 38.31 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 123.338 0.655 . . . . 0.0 109.945 162.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -0.77 28.56 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 -171.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -111.59 -10.8 14.1 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.884 2.073 . . . . 0.0 113.799 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -34.88 76.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.44 73.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.626 -0.671 . . . . 0.0 111.733 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.38 -33.45 75.88 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.335 1.054 . . . . 0.0 112.93 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.82 -26.95 68.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.72 -17.9 57.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.208 -0.933 . . . . 0.0 112.993 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.22 -13.0 23.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.097 1.759 . . . . 0.0 113.838 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -66.9 123.84 21.31 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.952 0.901 . . . . 0.0 110.434 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.9 p -91.54 -29.43 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -110.53 -6.28 14.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.266 1.426 . . . . 0.0 114.125 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.21 20.13 73.14 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 118.434 -1.203 . . . . 0.0 115.267 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -76.74 -2.72 34.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 119.293 1.547 . . . . 0.0 113.125 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 t30 67.85 23.39 8.44 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.451 1.9 . . . . 0.0 114.199 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.77 149.32 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.172 1.389 . . . . 0.0 111.387 166.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mm -94.37 120.74 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 164.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -146.88 170.64 16.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.271 1.428 . . . . 0.0 110.895 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.9 -17.56 17.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.28 -14.03 57.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -79.37 129.41 34.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.85 -1.156 . . . . 0.0 112.049 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.41 68.32 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.765 -1.21 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.62 -19.4 65.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -56.12 -35.43 67.08 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.741 -1.224 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.21 -20.04 63.97 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t -74.29 -24.99 59.33 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.131 0.973 . . . . 0.0 112.41 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -72.57 140.94 48.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.215 1.006 . . . . 0.0 113.42 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.29 172.33 12.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.321 2.648 . . . . 0.0 109.322 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.65 144.58 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.553 1.541 . . . . 0.0 109.857 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -121.9 125.65 46.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.022 1.329 . . . . 0.0 111.658 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -120.12 100.3 7.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.394 1.478 . . . . 0.0 108.949 172.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 119.63 11.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.723 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.22 -15.91 39.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.254 1.022 . . . . 0.0 113.575 -166.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.91 -7.99 11.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 171.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 59.56 65.2 1.19 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.565 2.346 . . . . 0.0 114.45 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -116.62 -12.78 10.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 168.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.87 11.02 82.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 119.12 0.873 . . . . 0.0 114.55 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.27 125.27 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.259 1.423 . . . . 0.0 107.529 168.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.11 145.98 27.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 119.002 0.819 . . . . 0.0 113.012 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -135.2 155.25 50.99 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 110.479 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.59 72.75 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -167.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.91 -10.13 59.2 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.36 -8.68 58.92 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 112.668 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.3 mt -89.45 152.62 21.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.183 1.393 . . . . 0.0 112.473 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.29 148.41 44.64 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.683 1.993 . . . . 0.0 110.366 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.4 p -71.12 165.2 24.05 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.4 1.08 . . . . 0.0 111.924 164.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.1 -31.17 71.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.58 0.752 . . . . 0.0 111.527 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.77 -42.88 69.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.478 1.111 . . . . 0.0 113.411 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.82 -13.83 61.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -100.29 -1.65 35.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.755 2.022 . . . . 0.0 112.642 170.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.95 34.53 89.16 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 124.915 1.245 . . . . 0.0 114.68 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.12 129.29 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.892 1.677 . . . . 0.0 108.52 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -101.51 -59.67 1.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.161 1.384 . . . . 0.0 111.4 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 p -150.69 157.91 43.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.349 1.059 . . . . 0.0 113.03 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.32 130.02 56.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.751 1.62 . . . . 0.0 109.428 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.65 121.94 32.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.367 1.067 . . . . 0.0 111.167 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.6 -4.57 59.2 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.22 102.66 11.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 119.436 1.016 . . . . 0.0 110.248 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -98.41 157.78 15.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.248 1.419 . . . . 0.0 112.622 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -123.63 142.67 50.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 127.374 2.269 . . . . 0.0 109.129 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.86 145.51 34.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.43 0.559 . . . . 0.0 110.923 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.94 -26.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 C-N-CA 125.093 1.357 . . . . 0.0 113.46 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 32.02 65.15 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 128.006 2.522 . . . . 0.0 114.577 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.48 148.39 42.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.948 1.299 . . . . 0.0 114.178 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -70.86 127.65 33.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 166.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.5 mt -81.91 -41.07 21.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.875 0.87 . . . . 0.0 110.815 171.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 162.04 157.58 9.02 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 126.108 1.813 . . . . 0.0 111.481 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 50.86 32.21 7.01 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.952 1.701 . . . . 0.0 114.732 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.84 2.02 89.77 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 124.96 1.267 . . . . 0.0 115.888 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -84.1 133.39 34.63 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 119.418 1.609 . . . . 0.0 109.433 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 91.2 m -142.43 125.76 16.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.536 -0.728 . . . . 0.0 111.975 -162.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.56 122.95 44.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 109.321 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.88 -47.62 7.49 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 121.432 -0.793 . . . . 0.0 112.817 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -131.52 152.11 51.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.69 1.196 . . . . 0.0 111.55 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -134.7 141.74 46.61 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.742 1.617 . . . . 0.0 110.899 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.34 -157.48 7.17 Favored Glycine 0 C--N 1.341 0.809 0 C-N-CA 128.446 2.927 . . . . 0.0 110.583 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 80.8 p -146.98 166.46 26.74 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -123.75 147.83 47.16 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.0 1.32 . . . . 0.0 110.023 165.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.2 m -95.85 138.43 33.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.467 1.507 . . . . 0.0 110.347 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -101.88 158.54 16.06 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 126.672 1.989 . . . . 0.0 111.669 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.3 p -63.53 -24.76 67.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.496 1.118 . . . . 0.0 113.599 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -78.77 -9.34 59.4 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 99.36 -1.79 57.41 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 126.011 1.767 . . . . 0.0 116.487 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -79.25 167.47 20.9 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 119.559 1.679 . . . . 0.0 112.414 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.8 p -120.54 152.78 37.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.439 1.096 . . . . 0.0 111.71 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.48 154.76 45.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.988 1.315 . . . . 0.0 112.386 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -71.85 154.1 41.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 123.171 1.462 . . . . 0.0 113.918 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -145.81 166.05 27.05 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.435 1.894 . . . . 0.0 110.047 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.56 -178.7 45.59 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.421 1.728 . . . . 0.0 117.421 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -102.78 106.17 16.72 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 128.006 2.523 . . . . 0.0 108.826 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.0 tp -129.13 116.48 19.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.912 1.285 . . . . 0.0 112.852 -158.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -82.32 119.19 23.81 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.45 1.1 . . . . 0.0 109.88 169.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -92.6 149.95 21.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 111.487 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -75.64 141.37 42.81 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.898 0.879 . . . . 0.0 113.324 -172.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -141.57 149.85 41.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.67 1.588 . . . . 0.0 110.501 169.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.23 140.68 58.46 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.349 1.06 . . . . 0.0 112.424 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -68.04 -28.59 67.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.877 1.271 . . . . 0.0 113.792 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.3 mt -117.48 -23.82 7.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.077 1.351 . . . . 0.0 113.997 -165.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -67.32 161.1 25.79 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.1 m -53.58 144.12 18.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.785 1.634 . . . . 0.0 113.411 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -88.29 170.46 10.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.502 0.721 . . . . 0.0 112.577 -168.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -144.03 -13.14 0.63 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.7 mt -123.48 5.51 8.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.162 1.785 . . . . 0.0 113.826 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.412 1.085 . . . . 0.0 113.285 -171.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.9 m -105.85 108.22 19.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 110.947 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -134.28 108.0 7.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.387 1.875 . . . . 0.0 109.229 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.81 163.13 39.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.374 1.07 . . . . 0.0 113.628 -161.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.5 118.14 23.57 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 121.595 -0.691 . . . . 0.0 110.545 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.11 152.02 36.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.546 1.938 . . . . 0.0 113.859 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -123.41 140.27 53.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.261 2.224 . . . . 0.0 110.628 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -82.33 101.86 10.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.391 1.476 . . . . 0.0 110.428 169.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.53 -12.47 31.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -167.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -105.95 -14.75 15.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 120.304 1.411 . . . . 0.0 114.132 167.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.79 36.56 7.77 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 119.735 1.152 . . . . 0.0 115.614 170.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -127.33 16.04 7.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 119.275 1.537 . . . . 0.0 114.157 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.49 149.92 24.02 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 126.835 2.16 . . . . 0.0 113.603 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.31 132.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 124.326 1.051 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.47 166.4 25.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.1 p -138.2 162.28 34.67 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.723 1.209 . . . . 0.0 113.987 -165.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.89 163.66 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 127.22 2.208 . . . . 0.0 111.115 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.4 159.25 21.35 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.35 1.46 . . . . 0.0 111.791 167.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -81.34 126.28 31.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.473 -0.767 . . . . 0.0 110.621 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -141.64 170.34 15.91 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.831 2.053 . . . . 0.0 111.743 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -35.18 77.5 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 118.811 0.732 . . . . 0.0 113.716 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.78 83.48 2.14 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.093 1.757 . . . . 0.0 109.361 164.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -67.05 142.16 57.27 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.371 1.068 . . . . 0.0 112.685 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.74 -19.36 35.49 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 115.075 0.79 . . . . 0.0 115.075 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -66.35 -17.69 64.92 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.722 2.009 . . . . 0.0 115.527 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 tp -131.12 -25.74 2.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.337 1.055 . . . . 0.0 112.683 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -117.14 85.9 2.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.417 1.887 . . . . 0.0 109.614 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.08 -10.09 57.58 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -160.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -72.81 -11.84 60.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.007 -1.058 . . . . 0.0 113.338 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.53 32.72 1.34 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.726 1.61 . . . . 0.0 112.488 171.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -111.48 23.28 14.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 127.232 2.213 . . . . 0.0 112.959 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -82.68 156.03 24.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.312 1.845 . . . . 0.0 113.176 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.34 -128.73 8.61 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 125.225 1.393 . . . . 0.0 114.038 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.57 136.12 26.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 C-N-CA 124.834 1.254 . . . . 0.0 109.449 169.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -85.01 -2.42 57.95 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -125.82 154.08 43.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.311 1.445 . . . . 0.0 112.744 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.83 -175.69 5.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.414 1.486 . . . . 0.0 111.744 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -98.41 105.17 17.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.257 1.423 . . . . 0.0 112.294 174.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.59 -104.59 0.21 Allowed Glycine 0 C--N 1.34 0.8 0 O-C-N 121.663 -0.648 . . . . 0.0 114.003 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -129.98 170.42 13.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.883 1.673 . . . . 0.0 112.9 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.63 136.27 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 120.521 -1.362 . . . . 0.0 110.729 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 t -55.94 147.19 20.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.95 -7.56 36.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -85.88 -5.54 59.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.731 1.151 . . . . 0.0 113.559 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -121.16 -173.09 2.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.174 3.39 . . . . 0.0 111.767 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.64 175.63 45.03 Favored Glycine 0 C--N 1.334 0.458 0 O-C-N 120.51 -1.369 . . . . 0.0 116.366 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -106.83 142.61 36.19 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.188 1.395 . . . . 0.0 112.786 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 tp -78.89 130.75 35.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.293 1.037 . . . . 0.0 111.092 171.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -146.92 160.19 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 124.905 1.282 . . . . 0.0 113.053 -166.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -142.77 134.23 26.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.673 1.989 . . . . 0.0 110.18 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.74 125.76 29.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 118.551 0.614 . . . . 0.0 111.063 168.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.66 2.59 28.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.857 1.663 . . . . 0.0 114.707 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.29 8.27 3.97 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.43 24.6 76.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -97.02 -2.44 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.562 1.545 . . . . 0.0 114.116 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.51 78.28 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 126.25 1.881 . . . . 0.0 115.081 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.76 150.0 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 126.59 1.956 . . . . 0.0 110.346 -170.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm -97.69 115.23 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.077 1.351 . . . . 0.0 109.192 170.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.72 1.29 0.58 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -128.45 148.68 50.74 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 110.6 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -30.91 78.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 -170.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.63 -7.29 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.49 -10.04 59.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 113.117 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.21 149.7 22.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 126.658 1.983 . . . . 0.0 110.622 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -70.6 146.61 49.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.51 -0.744 . . . . 0.0 110.35 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.25 -172.53 40.87 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 121.598 -0.689 . . . . 0.0 112.822 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.59 -32.9 67.63 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -83.07 1.65 39.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 m -67.71 130.96 44.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.538 1.063 . . . . 0.0 111.19 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' HE2' ' HA2' ' A' ' 71' ' ' GLY . 76.9 tttt -91.86 138.71 31.32 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.582 1.153 . . . . 0.0 110.64 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.4 mt -89.76 162.39 15.56 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 125.627 1.571 . . . . 0.0 110.988 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -17.9 60.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.29 -15.73 30.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.053 1.341 . . . . 0.0 113.486 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' HA2' ' HE2' ' A' ' 67' ' ' LYS . . . 110.81 -12.6 29.73 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.877 1.703 . . . . 0.0 116.79 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.7 m -69.17 164.78 21.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.245 1.523 . . . . 0.0 112.551 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.75 154.78 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 124.418 1.087 . . . . 0.0 111.852 171.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 161.65 29.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -170.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -73.92 -34.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.208 1.403 . . . . 0.0 112.88 171.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -175.69 175.14 2.1 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 130.167 3.387 . . . . 0.0 108.644 175.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.51 -28.72 73.55 Favored Glycine 0 N--CA 1.442 -0.917 0 O-C-N 120.441 -1.412 . . . . 0.0 115.407 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -36.68 57.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 118.56 1.18 . . . . 0.0 111.986 177.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -33.27 74.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.235 -0.916 . . . . 0.0 112.881 172.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.61 92.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 121.3 -0.875 . . . . 0.0 112.009 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.89 -38.07 89.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 123.932 0.893 . . . . 0.0 112.836 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.35 67.72 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.73 -12.34 60.97 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.19 0.996 . . . . 0.0 113.577 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.03 1.81 57.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.238 1.415 . . . . 0.0 113.698 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -74.11 117.02 15.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 120.803 -1.185 . . . . 0.0 109.851 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -75.63 -37.69 59.51 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.245 -0.909 . . . . 0.0 112.579 -172.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.47 -12.56 14.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.94 69.03 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 119.801 1.182 . . . . 0.0 115.091 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -69.5 -3.14 13.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.515 1.658 . . . . 0.0 113.698 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 72.77 21.08 3.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.668 1.987 . . . . 0.0 114.244 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.0 pt -132.23 149.51 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.919 1.287 . . . . 0.0 111.729 164.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -93.96 115.55 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 124.458 1.103 . . . . 0.0 108.1 168.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.42 172.52 13.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 125.1 1.36 . . . . 0.0 111.555 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -23.7 51.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 -12.12 60.7 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -80.42 144.41 32.65 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 113.447 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.11 79.94 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -173.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.55 -16.41 60.82 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -60.52 -35.16 75.32 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.463 1.483 . . . . 0.0 114.37 -164.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -71.19 -18.85 62.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 p -79.62 -18.31 51.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.72 -1.238 . . . . 0.0 114.321 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.06 141.75 52.78 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.311 -0.868 . . . . 0.0 112.353 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -139.3 167.37 22.22 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.562 1.945 . . . . 0.0 110.362 168.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -129.24 134.28 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 109.189 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -109.95 123.4 49.56 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.187 1.395 . . . . 0.0 111.493 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -127.4 99.3 5.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.391 1.876 . . . . 0.0 110.764 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.48 135.1 33.9 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.958 1.303 . . . . 0.0 113.93 -168.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.0 mt -90.36 -32.63 16.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -116.01 -4.13 12.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 59.14 38.86 23.57 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.414 1.886 . . . . 0.0 114.614 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -91.04 -6.49 53.79 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 120.331 -1.481 . . . . 0.0 114.383 -176.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 90.16 6.53 68.9 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 124.993 1.282 . . . . 0.0 115.783 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.59 146.57 32.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 C-N-CA 126.715 2.006 . . . . 0.0 109.188 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.1 p -92.93 154.84 17.95 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -121.88 159.63 26.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.148 1.779 . . . . 0.0 110.672 166.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.99 -21.17 64.62 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -73.48 -32.62 64.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.626 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -81.36 -8.97 59.82 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.953 1.701 . . . . 0.0 113.333 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.94 126.46 50.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.864 1.266 . . . . 0.0 111.5 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -125.39 149.74 47.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.443 1.897 . . . . 0.0 111.301 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.0 p -86.7 160.76 18.74 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.04 1.336 . . . . 0.0 111.815 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.31 -38.77 81.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.188 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.56 -36.71 84.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 174.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -64.75 -27.48 68.93 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.405 -1.434 . . . . 0.0 111.941 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 74.4 mt -92.97 1.97 57.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.246 1.818 . . . . 0.0 113.3 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.19 15.96 66.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.363 1.459 . . . . 0.0 115.62 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 60.3 mt -78.96 129.13 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 125.806 1.642 . . . . 0.0 109.865 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -100.43 -36.1 9.33 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.526 1.53 . . . . 0.0 112.367 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -160.45 160.83 32.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.907 -1.121 . . . . 0.0 113.456 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.77 133.65 53.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.362 1.865 . . . . 0.0 109.662 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -87.88 136.66 32.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.686 1.195 . . . . 0.0 111.975 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.81 -0.97 38.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.122 1.369 . . . . 0.0 114.016 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.93 75.04 7.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.454 1.101 . . . . 0.0 110.711 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -95.71 165.08 12.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.602 1.161 . . . . 0.0 112.894 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.41 142.39 50.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.489 1.916 . . . . 0.0 110.432 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.05 129.44 36.08 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.986 0.812 . . . . 0.0 109.578 168.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.52 -25.92 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 117.544 -1.217 . . . . 0.0 113.352 -171.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 45.53 45.9 10.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 113.15 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.46 130.81 35.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.576 1.95 . . . . 0.0 111.392 -161.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -78.44 131.54 36.95 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 124.34 1.056 . . . . 0.0 110.128 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.98 5.98 19.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.245 1.418 . . . . 0.0 112.944 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 155.17 31.53 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.4 1.476 . . . . 0.0 114.152 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 53.09 34.06 16.4 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.232 1.813 . . . . 0.0 113.808 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.76 9.23 85.79 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.4 1.476 . . . . 0.0 115.579 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -88.41 136.11 33.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 119.429 1.614 . . . . 0.0 110.528 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.24 129.85 25.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.928 0.491 . . . . 0.0 111.843 -171.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.25 114.8 28.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.297 1.439 . . . . 0.0 110.155 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.85 -60.8 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.044 0.938 . . . . 0.0 112.524 -172.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.005 1.322 . . . . 0.0 112.753 174.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -134.66 138.78 44.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.136 1.774 . . . . 0.0 111.844 -160.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -147.82 -152.99 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.992 2.234 . . . . 0.0 111.507 171.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -141.95 166.53 24.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.127 1.371 . . . . 0.0 113.582 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -123.06 155.73 36.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.084 1.354 . . . . 0.0 110.543 164.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 79.2 m -112.14 140.37 46.89 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.172 1.789 . . . . 0.0 110.883 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -101.56 160.75 14.18 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 125.973 1.709 . . . . 0.0 113.644 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -27.69 66.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -78.06 4.4 12.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.45 0.29 89.35 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.457 1.503 . . . . 0.0 116.048 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.2 p -77.43 158.26 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 119.303 1.552 . . . . 0.0 112.853 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 28.1 p -123.79 155.45 37.93 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.07 166.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.85 161.15 40.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.939 1.296 . . . . 0.0 111.12 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -79.1 153.01 30.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.504 1.122 . . . . 0.0 113.875 -167.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.5 ptm -149.96 158.88 44.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.738 1.615 . . . . 0.0 110.923 172.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.17 175.02 44.1 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 120.891 -1.131 . . . . 0.0 114.994 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.21 109.25 16.33 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.23 1.412 . . . . 0.0 109.131 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.39 130.75 56.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.994 1.718 . . . . 0.0 111.926 -165.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.0 tp -95.91 120.55 36.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.874 1.27 . . . . 0.0 109.987 166.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.67 134.3 35.84 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.412 0.685 . . . . 0.0 109.493 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.67 132.28 47.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.367 1.067 . . . . 0.0 112.424 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.96 136.15 40.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.725 0.81 . . . . 0.0 111.761 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -89.0 151.83 22.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.913 1.685 . . . . 0.0 112.967 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -78.12 60.27 2.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.118 0.967 . . . . 0.0 112.022 168.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 tp 53.38 63.27 2.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 127.801 2.44 . . . . 0.0 113.91 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -147.11 -24.6 0.4 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.7 m -96.8 -46.84 6.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -107.32 137.6 45.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.362 1.065 . . . . 0.0 111.459 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.16 -24.82 6.84 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.708 1.203 . . . . 0.0 113.534 171.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.39 165.3 9.93 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 111.86 167.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.742 163.813 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.09 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.1 m 57.96 5.89 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 119.024 2.972 . . . . 0.0 119.024 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.16 124.79 51.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.283 1.433 . . . . 0.0 110.253 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.94 166.12 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.029 0.932 . . . . 0.0 113.29 -162.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.46 131.81 46.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.876 1.271 . . . . 0.0 109.868 163.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.53 49.43 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.934 1.294 . . . . 0.0 112.726 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.35 137.32 53.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.241 2.216 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -81.33 103.07 10.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.205 1.802 . . . . 0.0 111.035 171.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.45 -14.42 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -110.97 -8.74 14.46 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.74 24.46 25.51 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 165.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -119.36 13.75 12.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.926 1.29 . . . . 0.0 113.96 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.28 150.41 19.61 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 126.011 1.767 . . . . 0.0 113.249 -174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -71.75 126.49 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 109.154 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -121.02 152.04 39.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.808 1.243 . . . . 0.0 114.306 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 p -138.86 164.57 29.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.106 1.763 . . . . 0.0 112.794 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.03 167.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 127.545 2.338 . . . . 0.0 111.874 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.42 149.1 27.83 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.604 -0.685 . . . . 0.0 110.471 153.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.4 p -113.13 -23.13 10.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.215 1.006 . . . . 0.0 113.475 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -159.01 172.26 18.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.381 1.872 . . . . 0.0 111.53 165.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.18 -153.49 5.62 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 125.672 1.606 . . . . 0.0 115.411 172.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -90.77 -20.59 22.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -169.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.4 p -68.0 137.8 55.38 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -170.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.59 166.07 45.0 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 124.618 1.104 . . . . 0.0 114.236 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.9 p -72.24 166.8 21.7 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.325 1.05 . . . . 0.0 112.523 172.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.13 -22.77 14.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 118.003 -0.998 . . . . 0.0 113.049 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -141.57 158.66 43.56 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.493 1.917 . . . . 0.0 112.42 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -76.82 139.17 40.24 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -82.99 146.76 28.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.065 1.346 . . . . 0.0 113.77 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.09 -18.89 61.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -170.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -85.54 144.05 28.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 120.229 1.377 . . . . 0.0 112.876 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.699 1.2 . . . . 0.0 114.105 -171.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.96 -24.26 0.03 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 mm -83.22 76.23 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-N 118.466 1.133 . . . . 0.0 109.389 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.46 167.05 28.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 112.196 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.285 81.4 p 50.7 41.55 26.18 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 127.117 2.167 . . . . 0.0 116.088 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.07 149.49 49.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.592 -0.693 . . . . 0.0 111.78 166.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.3 p -125.44 -7.77 6.93 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.176 1.39 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.97 150.33 22.19 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 126.138 1.827 . . . . 0.0 112.048 168.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -153.71 172.08 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.63 1.172 . . . . 0.0 111.893 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.37 150.52 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 t -62.65 155.5 26.04 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.182 0.993 . . . . 0.0 113.208 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -18.33 63.0 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -87.28 -9.84 53.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.438 1.095 . . . . 0.0 113.919 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -115.88 -179.4 3.65 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 127.287 2.235 . . . . 0.0 112.23 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.71 161.44 32.28 Favored Glycine 0 N--CA 1.449 -0.472 0 O-C-N 120.347 -1.47 . . . . 0.0 116.014 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -95.18 143.82 26.29 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.283 1.433 . . . . 0.0 112.275 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.7 tp -82.72 125.33 31.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.766 0.826 . . . . 0.0 110.664 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.93 163.61 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.643 1.177 . . . . 0.0 113.444 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -147.12 138.0 23.74 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -80.61 128.6 33.8 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.62 -5.05 18.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.284 1.834 . . . . 0.0 114.684 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.63 5.32 4.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.17 21.01 78.42 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -88.36 -10.23 50.05 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 119.053 1.426 . . . . 0.0 114.358 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.21 1.13 72.73 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.689 1.614 . . . . 0.0 116.236 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -135.82 161.77 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 125.534 1.533 . . . . 0.0 112.655 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mm -99.04 102.57 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 126.308 1.843 . . . . 0.0 109.733 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -136.2 -25.85 1.18 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -168.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -95.88 146.32 24.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 0.0 111.821 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.0 59.81 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 -6.18 58.51 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 119.391 1.595 . . . . 0.0 114.358 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.73 -3.4 58.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.59 143.82 30.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.129 1.771 . . . . 0.0 110.77 170.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.12 106.13 9.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.009 -1.057 . . . . 0.0 111.862 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.52 -161.26 25.14 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 124.793 1.187 . . . . 0.0 112.368 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.79 8.39 1.98 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -123.13 -8.69 8.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.831 1.652 . . . . 0.0 115.076 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -74.92 160.56 30.46 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -171.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -101.79 137.97 39.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.124 1.77 . . . . 0.0 111.401 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.5 mt -90.66 169.44 10.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.065 1.746 . . . . 0.0 112.094 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.42 77.64 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 113.033 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -88.83 21.84 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.626 1.57 . . . . 0.0 114.033 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.43 -15.06 31.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 125.829 1.681 . . . . 0.0 116.102 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -66.63 153.78 42.22 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.584 1.154 . . . . 0.0 111.713 173.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -79.6 147.26 32.15 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.975 -1.078 . . . . 0.0 111.882 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.43 153.33 39.24 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.845 0.858 . . . . 0.0 112.881 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -81.44 -38.95 25.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.887 168.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -158.16 168.77 26.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.744 1.218 . . . . 0.0 113.368 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.5 92.29 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.832 1.206 . . . . 0.0 115.945 -171.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.91 -34.07 77.53 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.909 1.355 . . . . 0.0 112.671 175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.88 81.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.786 1.176 . . . . 0.0 111.755 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -32.55 73.92 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.12 -41.21 64.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.261 1.025 . . . . 0.0 112.18 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.95 66.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.47 -34.8 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 118.515 0.598 . . . . 0.0 112.169 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -83.12 0.58 44.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 125.123 1.369 . . . . 0.0 114.323 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -79.2 103.44 9.14 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.194 0.997 . . . . 0.0 110.845 173.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -76.52 -25.08 53.77 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.246 1.419 . . . . 0.0 114.113 -166.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -111.25 -13.86 13.91 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 126.42 1.888 . . . . 0.0 114.692 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.28 60.11 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 120.277 1.399 . . . . 0.0 114.668 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -78.51 0.11 27.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 118.97 1.385 . . . . 0.0 113.533 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.263 7.0 t30 73.2 22.16 2.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.863 2.465 . . . . 0.0 114.361 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.0 pt -138.03 155.56 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.334 1.453 . . . . 0.0 111.761 168.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.1 mm -102.22 120.26 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 168.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.36 173.11 13.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.93 1.692 . . . . 0.0 112.15 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.86 60.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.5 -17.61 60.73 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 171.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -80.93 139.51 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.428 1.491 . . . . 0.0 111.953 166.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.84 73.06 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.54 -21.97 63.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.05 -29.33 65.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.899 -1.125 . . . . 0.0 113.269 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.69 -24.13 36.41 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -100.29 -25.53 14.21 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 120.346 1.43 . . . . 0.0 114.266 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.35 147.15 51.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.148 1.379 . . . . 0.0 112.342 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -138.03 158.38 44.43 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.143 1.377 . . . . 0.0 111.967 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.75 132.64 59.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.943 1.297 . . . . 0.0 108.742 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -103.45 117.51 34.62 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 124.681 1.192 . . . . 0.0 110.567 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -115.56 101.64 9.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.747 1.619 . . . . 0.0 110.009 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -94.66 82.33 3.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.525 -172.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -66.36 -18.44 65.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -3.39 47.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.075 0.852 . . . . 0.0 113.113 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 59.07 52.66 6.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.551 1.94 . . . . 0.0 113.994 160.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -120.58 -15.4 8.48 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.99 13.48 83.63 Favored Glycine 0 C--N 1.34 0.751 0 O-C-N 121.003 -1.061 . . . . 0.0 114.545 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.99 126.3 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.608 1.563 . . . . 0.0 109.386 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -76.94 139.53 40.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.601 0.76 . . . . 0.0 113.01 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -143.41 149.54 37.79 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.418 1.887 . . . . 0.0 109.927 168.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.6 72.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -67.59 -10.04 48.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 114.076 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -100.01 -2.86 33.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.475 1.51 . . . . 0.0 113.95 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.4 mt -98.11 127.69 44.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.045 1.338 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -125.31 148.23 48.8 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.22 1.808 . . . . 0.0 112.13 -169.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.4 p -75.66 163.03 27.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.301 1.04 . . . . 0.0 112.379 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.54 -40.47 76.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.212 -0.93 . . . . 0.0 111.604 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.16 -27.69 59.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.61 -23.55 62.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 120.429 1.468 . . . . 0.0 113.086 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.03 -1.28 57.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.145 1.778 . . . . 0.0 112.518 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.76 27.28 73.64 Favored Glycine 0 CA--C 1.527 0.805 0 O-C-N 121.153 -0.967 . . . . 0.0 113.336 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.9 mt -80.26 128.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 119.097 1.449 . . . . 0.0 108.697 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.45 -39.55 8.3 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.974 0.91 . . . . 0.0 111.762 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.4 p -158.28 159.14 35.63 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.71 138.57 38.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.242 1.417 . . . . 0.0 110.583 168.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -88.22 137.04 32.68 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.805 0.842 . . . . 0.0 111.642 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.57 12.86 30.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.672 1.189 . . . . 0.0 113.195 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.32 137.51 43.0 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.795 2.038 . . . . 0.0 113.086 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -153.76 167.46 29.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.196 1.798 . . . . 0.0 113.095 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -132.23 151.81 51.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.377 2.271 . . . . 0.0 111.577 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.39 133.2 41.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.208 1.003 . . . . 0.0 112.212 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -133.8 -32.47 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.8 m120 47.78 71.64 0.32 Allowed 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.501 1.92 . . . . 0.0 114.498 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -126.31 119.21 26.77 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.346 1.458 . . . . 0.0 111.725 -175.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.25 142.22 43.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 121.139 -0.975 . . . . 0.0 110.905 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.84 15.4 16.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 126.582 1.953 . . . . 0.0 113.256 -171.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 69.92 178.89 23.73 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 120.75 -1.219 . . . . 0.0 113.358 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 53.57 20.44 2.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.709 2.003 . . . . 0.0 115.186 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.38 1.68 88.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.075 1.322 . . . . 0.0 115.869 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -91.81 135.19 34.1 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.602 1.701 . . . . 0.0 111.649 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 94.3 m -138.5 137.35 37.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.056 -1.028 . . . . 0.0 111.7 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.0 tt -107.66 120.57 42.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.497 1.919 . . . . 0.0 110.28 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.62 -50.26 6.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.62 147.33 48.59 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.899 1.279 . . . . 0.0 111.125 -171.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -133.38 136.14 45.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.725 1.21 . . . . 0.0 111.977 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.26 -154.54 7.27 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 127.956 2.693 . . . . 0.0 110.425 172.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -134.04 167.88 19.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.794 1.237 . . . . 0.0 113.914 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -132.67 156.64 46.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 110.693 158.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 91.5 m -101.62 132.59 47.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.157 1.383 . . . . 0.0 111.024 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -96.97 147.31 24.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.495 1.918 . . . . 0.0 110.548 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.2 p -61.25 -23.98 66.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -72.33 -1.37 15.17 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 97.53 -7.25 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.223 1.868 . . . . 0.0 115.685 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 37.0 p -93.45 176.18 6.48 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.358 1.079 . . . . 0.0 112.657 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -129.38 154.03 47.31 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -138.13 157.82 45.55 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.838 1.255 . . . . 0.0 112.195 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -75.9 144.48 41.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.05 0.94 . . . . 0.0 112.644 -172.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.0 ptm -143.22 161.65 37.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.059 1.344 . . . . 0.0 110.975 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.96 172.99 44.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.11 114.73 23.98 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 127.669 2.388 . . . . 0.0 111.6 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.16 145.01 46.35 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 126.098 1.759 . . . . 0.0 111.494 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 64.0 tp -109.9 124.99 52.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.821 1.648 . . . . 0.0 108.157 163.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.5 mt -105.66 151.98 23.71 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.182 1.393 . . . . 0.0 111.607 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -74.61 135.72 42.01 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -135.86 148.88 48.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.964 1.305 . . . . 0.0 111.39 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.49 136.33 57.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.302 1.041 . . . . 0.0 113.028 -164.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -141.93 128.14 19.79 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.564 1.945 . . . . 0.0 110.989 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.11 -30.41 71.57 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.292 1.437 . . . . 0.0 114.066 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -75.22 -13.48 60.45 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.996 1.271 . . . . 0.0 113.342 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.2 m -94.84 3.07 55.43 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.684 1.594 . . . . 0.0 112.708 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -112.42 144.81 41.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 127.58 2.352 . . . . 0.0 110.036 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -136.79 132.69 35.05 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.01 1.324 . . . . 0.0 110.752 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 74.9 mt -100.28 163.29 12.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.012 0.925 . . . . 0.0 112.199 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.945 0 C-N-CA 128.141 2.576 . . . . 0.0 112.208 175.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.3 m -76.41 58.81 1.36 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.221 1.408 . . . . 0.0 111.845 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -88.45 127.69 35.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.866 1.666 . . . . 0.0 111.464 -175.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.86 15.42 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -166.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.57 127.38 53.58 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.976 1.711 . . . . 0.0 110.076 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.38 149.24 40.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.489 1.916 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.04 138.63 52.72 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.583 1.953 . . . . 0.0 110.572 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -80.77 88.22 5.82 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.414 1.886 . . . . 0.0 110.829 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.91 -21.21 44.2 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 120.456 -1.403 . . . . 0.0 114.462 -165.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -101.59 -3.54 28.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 171.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.81 16.08 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 168.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -135.69 18.53 3.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.882 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 155.94 24.33 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 126.716 2.103 . . . . 0.0 113.78 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 132.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.938 1.295 . . . . 0.0 109.276 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.64 154.68 35.82 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.558 1.543 . . . . 0.0 112.931 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.1 p -133.22 173.03 11.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 112.62 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.24 170.61 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 126.378 1.871 . . . . 0.0 111.024 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.98 44.21 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.998 -1.064 . . . . 0.0 112.164 161.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.4 m -67.74 120.65 14.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.399 1.08 . . . . 0.0 111.984 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.2 tttt 49.21 47.48 22.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.082 1.753 . . . . 0.0 114.047 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -143.51 46.97 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.44 1.019 . . . . 0.0 113.292 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -137.64 162.37 34.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.364 1.466 . . . . 0.0 112.09 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -63.98 129.61 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 125.969 1.708 . . . . 0.0 112.126 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.7 19.05 79.69 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 m -61.93 134.68 56.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -171.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.9 tp -94.01 -24.31 17.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.898 1.679 . . . . 0.0 113.78 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.97 -34.08 1.01 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.167 1.787 . . . . 0.0 113.504 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.31 173.49 12.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.539 1.936 . . . . 0.0 111.273 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -66.93 135.77 54.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.462 -1.399 . . . . 0.0 111.31 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -92.5 112.38 24.3 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.386 1.075 . . . . 0.0 111.264 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -67.3 132.9 48.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.773 2.029 . . . . 0.0 110.768 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -95.06 -15.6 23.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.41 156.66 20.56 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 126.264 1.888 . . . . 0.0 111.309 175.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 pt -84.0 160.15 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -120.86 170.92 9.02 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.885 2.074 . . . . 0.0 110.677 164.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 p -68.48 -29.69 68.37 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.211 1.004 . . . . 0.0 112.43 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.05 122.44 24.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.701 1.2 . . . . 0.0 111.16 168.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -97.56 -21.67 16.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.788 1.235 . . . . 0.0 113.779 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.07 156.58 20.35 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 124.667 1.127 . . . . 0.0 113.568 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -143.14 171.57 13.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.821 1.648 . . . . 0.0 112.498 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.6 141.28 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 110.873 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.7 t -64.11 155.51 31.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.612 0.765 . . . . 0.0 112.902 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.68 -28.28 60.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -85.59 -8.14 58.45 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.99 1.716 . . . . 0.0 114.547 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -121.1 -173.21 2.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.928 2.491 . . . . 0.0 112.467 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.06 166.72 38.88 Favored Glycine 0 N--CA 1.447 -0.576 0 O-C-N 121.114 -0.991 . . . . 0.0 115.122 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.83 141.5 28.56 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.971 1.309 . . . . 0.0 112.113 177.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.52 127.39 32.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.643 0.377 . . . . 0.0 109.987 166.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -142.4 160.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 112.626 -169.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -149.56 119.19 6.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.519 1.127 . . . . 0.0 109.222 166.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.08 128.39 36.35 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 170.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -104.87 -2.98 23.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -167.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -134.34 17.4 3.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 21.89 71.41 Favored Glycine 0 C--N 1.341 0.824 0 O-C-N 120.766 -1.209 . . . . 0.0 115.859 164.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.52 -10.69 14.86 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 118.842 1.321 . . . . 0.0 114.074 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.8 17.22 76.62 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-O 118.592 -1.116 . . . . 0.0 115.821 173.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.75 128.92 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.916 1.686 . . . . 0.0 107.948 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.33 108.93 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -141.14 -23.55 0.75 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -95.19 144.75 25.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 119.854 1.206 . . . . 0.0 110.718 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -23.6 46.9 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 115.151 0.82 . . . . 0.0 115.151 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.4 -15.58 60.92 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -84.53 -7.95 59.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.126 1.37 . . . . 0.0 113.682 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.11 171.37 15.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.313 1.445 . . . . 0.0 110.767 160.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -95.86 107.04 19.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 156.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.49 -179.95 39.53 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.99 1.281 . . . . 0.0 112.292 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -71.94 7.12 1.72 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -175.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -120.83 9.98 10.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 127.191 2.196 . . . . 0.0 113.0 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m -79.88 143.32 34.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.76 2.024 . . . . 0.0 112.948 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -99.01 143.46 29.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.054 1.742 . . . . 0.0 112.249 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.3 162.75 13.02 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 126.96 2.104 . . . . 0.0 111.865 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.57 68.91 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.818 -1.176 . . . . 0.0 113.358 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -72.36 -8.82 56.99 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.615 -1.303 . . . . 0.0 113.58 172.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.48 -13.21 61.42 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 125.532 1.539 . . . . 0.0 114.708 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 p -75.97 170.18 16.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 120.284 2.042 . . . . 0.0 112.78 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -102.84 153.52 20.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.647 1.179 . . . . 0.0 112.601 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.29 153.34 36.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.03 0.932 . . . . 0.0 112.342 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -88.88 -26.26 21.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.266 1.826 . . . . 0.0 112.953 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.66 129.66 21.96 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.642 1.977 . . . . 0.0 111.281 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.12 -30.92 61.32 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.988 1.28 . . . . 0.0 115.799 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -32.44 58.43 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.816 1.308 . . . . 0.0 112.022 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.74 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.164 -0.96 . . . . 0.0 112.996 173.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.34 67.73 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 169.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.37 -41.92 17.63 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.081 1.352 . . . . 0.0 112.277 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.22 67.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.285 1.034 . . . . 0.0 113.766 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -56.53 -21.25 24.89 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.934 2.494 . . . . 0.0 114.667 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.33 -8.75 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -65.48 129.05 38.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.153 -0.967 . . . . 0.0 111.167 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -92.2 -33.04 14.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.605 1.962 . . . . 0.0 115.884 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -112.0 -12.63 13.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.391 1.476 . . . . 0.0 114.066 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.59 38.41 24.47 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 119.916 1.235 . . . . 0.0 114.127 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -94.93 1.31 55.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.471 1.108 . . . . 0.0 112.884 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.0 t30 61.69 25.82 15.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 128.353 2.661 . . . . 0.0 114.982 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.32 153.46 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 124.531 1.132 . . . . 0.0 111.792 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -102.9 114.81 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 123.903 0.881 . . . . 0.0 108.639 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -144.57 169.77 17.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.779 1.632 . . . . 0.0 111.8 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -17.66 59.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -168.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.8 -18.07 58.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -70.75 126.18 28.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 119.746 1.157 . . . . 0.0 111.243 167.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.84 68.72 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.773 -1.204 . . . . 0.0 113.927 -172.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.8 65.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.693 -1.254 . . . . 0.0 114.223 -168.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -66.09 -22.45 66.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.659 1.118 . . . . 0.0 113.818 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -85.15 -17.02 38.5 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -75.27 139.32 42.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.549 0.74 . . . . 0.0 111.08 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -135.29 166.21 23.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.617 1.167 . . . . 0.0 111.744 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.0 136.04 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.542 1.137 . . . . 0.0 109.558 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -107.99 106.23 16.38 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.691 1.596 . . . . 0.0 110.619 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.34 100.29 9.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.865 1.266 . . . . 0.0 108.547 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -68.02 131.11 44.87 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.341 0.656 . . . . 0.0 110.568 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.4 -27.15 38.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -116.78 -5.04 11.57 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 56.37 48.55 16.78 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.859 2.063 . . . . 0.0 114.623 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -97.86 -12.5 22.07 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.63 16.44 77.76 Favored Glycine 0 C--N 1.331 0.305 0 O-C-N 120.974 -1.079 . . . . 0.0 113.908 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.98 128.43 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 161.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -86.18 147.9 25.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.819 0.448 . . . . 0.0 111.532 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -134.19 149.89 51.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.329 1.052 . . . . 0.0 110.049 171.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.21 69.83 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.309 1.044 . . . . 0.0 112.392 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.61 -22.5 66.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.5 -1.17 57.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.172 1.389 . . . . 0.0 113.369 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.73 142.52 35.31 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 112.226 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -142.62 151.76 41.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.829 1.652 . . . . 0.0 111.263 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -78.31 161.57 27.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.529 0.732 . . . . 0.0 111.556 168.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.35 -36.67 81.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.835 -1.166 . . . . 0.0 112.468 -170.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 -15.92 60.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.57 -32.81 68.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 120.365 1.439 . . . . 0.0 111.586 166.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.26 -6.53 56.73 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.125 1.37 . . . . 0.0 114.106 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.4 18.89 78.83 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 124.057 0.837 . . . . 0.0 114.739 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -80.03 121.35 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 118.518 1.159 . . . . 0.0 108.608 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -89.43 -49.07 6.91 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.061 0.944 . . . . 0.0 112.188 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 81.3 p -156.72 157.33 34.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.8 mt -106.88 147.01 30.3 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.51 1.924 . . . . 0.0 109.824 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -93.51 138.24 31.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 124.135 0.974 . . . . 0.0 111.98 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.7 mt -94.55 -10.74 31.19 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.273 1.029 . . . . 0.0 113.59 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.26 130.82 34.52 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.443 1.097 . . . . 0.0 111.534 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -148.94 164.62 34.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.736 1.214 . . . . 0.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -128.16 151.19 49.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.268 2.627 . . . . 0.0 110.057 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.85 132.43 40.34 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.934 0.894 . . . . 0.0 111.965 172.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.4 -29.62 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 124.975 1.31 . . . . 0.0 113.385 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 m120 46.12 55.62 7.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.612 1.965 . . . . 0.0 114.47 170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.45 136.44 53.79 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.444 1.898 . . . . 0.0 112.227 -161.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -81.07 136.24 35.92 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.907 1.283 . . . . 0.0 111.273 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.4 15.8 20.14 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.153 1.781 . . . . 0.0 114.228 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 76.62 168.21 27.61 Favored Glycine 0 CA--C 1.527 0.812 0 O-C-N 121.156 -0.965 . . . . 0.0 113.165 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.3 m120 49.18 22.02 0.59 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.581 1.952 . . . . 0.0 116.097 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.77 7.33 84.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 126.1 1.809 . . . . 0.0 115.791 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -85.75 144.74 27.6 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.676 1.738 . . . . 0.0 111.944 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -139.99 130.84 26.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.049 0.939 . . . . 0.0 112.582 -172.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 31.0 tp -104.43 119.24 38.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 126.5 1.92 . . . . 0.0 110.323 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.6 -56.08 3.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.42 1.088 . . . . 0.0 112.19 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -136.74 150.79 48.61 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.943 1.697 . . . . 0.0 111.565 -171.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -139.92 137.9 35.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.849 1.259 . . . . 0.0 112.869 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.1 -152.26 6.0 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 128.203 2.811 . . . . 0.0 110.415 170.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.6 m -138.0 166.63 23.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -137.5 162.06 34.7 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.516 1.126 . . . . 0.0 110.953 166.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 93.6 m -120.66 138.64 53.83 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.255 1.822 . . . . 0.0 111.861 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -98.21 159.74 14.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.15 1.38 . . . . 0.0 111.923 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.8 p -65.28 -17.5 64.56 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -82.42 -4.86 58.14 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 170.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.58 69.8 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 125.621 1.581 . . . . 0.0 115.109 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 67.7 p -73.79 152.65 40.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.757 1.779 . . . . 0.0 111.834 173.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.2 p -126.48 153.44 45.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.647 1.179 . . . . 0.0 111.925 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.42 168.48 25.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.188 1.395 . . . . 0.0 111.461 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -74.62 155.46 37.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.79 158.56 43.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.091 0.957 . . . . 0.0 109.869 158.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.22 166.86 39.99 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 117.168 1.627 . . . . 0.0 117.168 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -84.53 108.89 17.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.347 2.259 . . . . 0.0 110.712 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.48 137.59 54.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.549 1.54 . . . . 0.0 110.754 -166.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -113.42 107.09 15.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.241 1.816 . . . . 0.0 108.958 173.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.45 150.08 36.74 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.162 0.585 . . . . 0.0 111.112 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.28 146.62 47.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -172.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -133.65 162.74 31.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.242 1.817 . . . . 0.0 113.039 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.51 130.51 40.81 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -93.67 -33.99 13.45 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.374 1.47 . . . . 0.0 113.352 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.49 -46.47 89.89 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.774 1.23 . . . . 0.0 112.909 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -132.42 -27.93 1.71 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.872 1.269 . . . . 0.0 113.126 -175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 m 58.43 -3.93 0.07 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 128.26 2.624 . . . . 0.0 117.193 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -126.36 -5.4 6.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.975 1.71 . . . . 0.0 114.596 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.76 130.97 34.41 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 119.447 1.021 . . . . 0.0 112.61 -172.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 147.26 31.66 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 126.112 1.765 . . . . 0.0 112.083 170.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.248 0.982 0 C-N-CA 125.872 1.669 . . . . 0.0 113.729 -178.675 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.54 0 CA-C-O 119.305 -0.719 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.5 m -150.37 20.36 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 120.775 2.287 . . . . 0.0 114.954 8.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -123.01 174.65 7.06 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.157 -1.589 . . . . 0.0 113.463 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.8 173.01 14.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 127.609 2.364 . . . . 0.0 112.306 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 tp -121.49 127.32 50.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.609 1.564 . . . . 0.0 107.953 164.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.06 153.9 51.89 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.8 1.24 . . . . 0.0 113.572 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -113.07 139.3 48.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.103 1.761 . . . . 0.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.38 106.08 13.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.932 0.893 . . . . 0.0 109.362 166.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.22 -29.68 18.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -97.3 -11.5 24.01 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 114.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.34 40.95 5.62 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 170.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -137.08 20.19 3.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 113.789 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 154.32 30.28 Favored Glycine 0 C--N 1.341 0.819 0 C-N-CA 126.166 1.841 . . . . 0.0 112.619 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mt -71.52 130.52 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 121.425 -1.044 . . . . 0.0 109.509 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -119.95 151.19 39.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.379 1.071 . . . . 0.0 113.073 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.6 p -140.8 158.06 44.5 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.523 1.529 . . . . 0.0 112.29 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 m -140.49 155.27 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.992 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.49 145.09 35.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.955 0.502 . . . . 0.0 110.824 165.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -126.07 155.29 41.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.705 0.802 . . . . 0.0 112.817 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -77.71 52.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.321 1.448 . . . . 0.0 114.7 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.18 166.47 28.99 Favored Glycine 0 C--N 1.336 0.533 0 O-C-N 121.164 -0.96 . . . . 0.0 115.262 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -117.92 163.09 17.07 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.132 2.173 . . . . 0.0 112.297 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.6 p -140.95 -20.92 0.79 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.55 -37.64 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.031 1.3 . . . . 0.0 113.684 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 98.7 p -83.97 -36.43 23.23 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.548 1.539 . . . . 0.0 113.308 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt 52.91 22.33 2.35 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.238 2.215 . . . . 0.0 115.093 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -66.78 116.09 7.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.234 1.013 . . . . 0.0 111.605 -170.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 48.66 24.17 0.75 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -169.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -84.55 160.03 20.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.434 -1.416 . . . . 0.0 114.47 -171.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -63.82 155.08 31.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.401 1.48 . . . . 0.0 113.996 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -83.26 -11.7 57.5 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -124.26 139.7 53.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.731 1.212 . . . . 0.0 112.952 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.0 167.01 11.35 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.646 1.593 . . . . 0.0 114.034 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.34 -30.79 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 125.269 1.427 . . . . 0.0 113.363 -172.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 48.81 48.78 19.9 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.832 2.053 . . . . 0.0 114.592 170.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.7 p -110.5 -26.39 9.52 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.67 176.34 9.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.238 1.415 . . . . 0.0 112.563 -176.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.5 p -110.42 -30.4 7.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.338 1.855 . . . . 0.0 112.652 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.58 168.44 53.71 Favored Glycine 0 C--N 1.341 0.816 0 O-C-N 121.458 -0.776 . . . . 0.0 113.097 163.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -153.76 171.67 18.53 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.829 1.251 . . . . 0.0 112.047 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.77 137.22 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 125.92 1.688 . . . . 0.0 110.577 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -61.4 156.99 17.78 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 113.743 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -9.14 36.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -172.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.72 -13.72 31.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.72 1.608 . . . . 0.0 113.539 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -119.13 176.42 5.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.551 2.341 . . . . 0.0 111.798 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.04 159.77 30.26 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.334 -1.479 . . . . 0.0 116.217 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -88.3 142.07 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.023 1.729 . . . . 0.0 111.31 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.8 tp -80.34 128.49 33.61 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.284 1.033 . . . . 0.0 109.997 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 m -147.48 160.8 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.325 1.45 . . . . 0.0 112.725 -167.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -144.7 133.75 22.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.068 1.747 . . . . 0.0 111.499 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -79.05 126.33 30.56 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.006 0.523 . . . . 0.0 110.644 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -106.89 1.02 24.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.799 1.239 . . . . 0.0 114.102 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.44 15.03 4.1 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.26 41.91 99.72 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.703 -1.054 . . . . 0.0 115.532 168.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -109.36 -5.33 15.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.957 1.703 . . . . 0.0 113.775 174.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.8 13.07 80.82 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 124.955 1.264 . . . . 0.0 115.095 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.9 mt -133.11 149.56 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 126.631 1.972 . . . . 0.0 108.787 -172.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.3 mm -94.86 120.7 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 O-C-N 121.159 -0.963 . . . . 0.0 109.157 171.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.77 3.5 0.47 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -135.22 144.49 46.95 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.924 1.29 . . . . 0.0 110.71 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.04 59.93 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -15.87 63.36 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.6 -3.95 58.14 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.601 1.561 . . . . 0.0 113.676 -175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.49 161.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.358 1.863 . . . . 0.0 110.425 167.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.28 141.22 29.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.737 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.88 -158.13 28.69 Favored Glycine 0 C--N 1.342 0.865 0 O-C-N 121.703 -0.623 . . . . 0.0 114.553 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.31 -19.2 63.88 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.21 -16.24 47.27 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.993 -1.067 . . . . 0.0 112.45 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -66.24 134.66 53.14 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 119.788 1.176 . . . . 0.0 111.874 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -108.61 160.7 15.72 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.953 1.701 . . . . 0.0 111.641 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -90.09 168.17 12.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.302 1.441 . . . . 0.0 110.456 168.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.23 3.31 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -95.41 -2.14 49.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 126.293 1.837 . . . . 0.0 113.863 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.87 2.7 86.23 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 125.364 1.459 . . . . 0.0 115.837 -175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -83.62 153.8 24.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 118.917 1.358 . . . . 0.0 112.024 173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -74.76 134.88 41.77 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.616 -1.303 . . . . 0.0 111.807 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.36 59.23 2.29 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.631 1.573 . . . . 0.0 113.149 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -82.65 -25.73 32.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -164.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -67.63 143.87 55.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 120.237 1.381 . . . . 0.0 111.805 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.52 110.94 3.14 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-O 119.003 -0.887 . . . . 0.0 112.575 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.28 80.14 1.94 Allowed 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 122.31 3.055 . . . . 0.0 109.647 -3.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.68 69.23 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -161.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.65 66.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.82 -27.37 21.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.768 0.827 . . . . 0.0 112.621 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.48 66.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.93 -17.41 63.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.07 -12.75 19.42 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.44 -1.413 . . . . 0.0 114.672 -167.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.57 127.7 33.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.187 0.995 . . . . 0.0 110.992 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.2 p -82.03 -44.92 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.319 1.048 . . . . 0.0 113.631 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -108.76 -8.87 15.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 125.585 1.554 . . . . 0.0 114.276 -166.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.56 28.43 57.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 118.889 -0.951 . . . . 0.0 114.574 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -81.73 -3.21 53.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.059 1.43 . . . . 0.0 112.47 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.4 t30 68.82 22.8 7.11 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.666 1.986 . . . . 0.0 114.877 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.64 150.52 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 111.844 170.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.7 mm -98.98 110.01 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 171.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -139.24 172.66 12.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.053 0.941 . . . . 0.0 112.109 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.65 -16.05 9.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.87 -25.35 43.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.54 140.32 48.07 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 119.98 1.264 . . . . 0.0 112.072 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.98 73.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 120.863 -1.148 . . . . 0.0 112.869 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.11 -23.9 56.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.52 -30.87 71.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.331 0.969 . . . . 0.0 112.384 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -82.65 -15.28 52.64 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 123.822 0.849 . . . . 0.0 113.243 173.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -93.64 -32.09 14.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.829 1.252 . . . . 0.0 113.55 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.32 150.36 41.93 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.473 1.109 . . . . 0.0 112.251 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -135.01 166.42 23.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.282 1.433 . . . . 0.0 110.726 172.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.6 129.15 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.069 1.348 . . . . 0.0 109.329 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -105.97 123.45 48.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.392 1.077 . . . . 0.0 111.651 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -124.05 99.19 6.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.885 2.074 . . . . 0.0 109.379 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.61 125.55 34.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.145 0.978 . . . . 0.0 111.395 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.64 -14.78 41.68 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -172.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -117.53 -11.88 10.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.05 1.34 . . . . 0.0 114.55 171.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 54.33 52.5 12.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 127.475 2.31 . . . . 0.0 113.786 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -107.69 7.75 28.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.21 1.404 . . . . 0.0 113.604 -174.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.71 6.7 88.39 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.345 -1.253 . . . . 0.0 115.739 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.5 mt -119.37 128.84 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.981 1.391 . . . . 0.0 109.052 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -101.03 157.46 16.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.021 1.328 . . . . 0.0 112.766 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -143.74 158.5 43.64 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 126.442 1.897 . . . . 0.0 109.524 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.22 70.01 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.596 -1.315 . . . . 0.0 113.276 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -69.5 -17.78 63.63 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 171.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -96.22 -11.74 25.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.556 1.142 . . . . 0.0 113.501 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -90.03 150.4 22.12 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 0.0 111.212 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -135.22 152.75 51.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.659 1.984 . . . . 0.0 110.371 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.8 p -82.71 158.55 22.86 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.386 1.475 . . . . 0.0 111.174 163.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.84 -37.35 84.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.1 -1.0 . . . . 0.0 111.392 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.44 -46.43 88.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.89 1.676 . . . . 0.0 113.655 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.72 -20.45 61.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -80.85 7.88 9.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.354 . . . . 0.0 112.199 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.47 70.65 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.06 -1.025 . . . . 0.0 113.819 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 49.4 mt -78.02 143.44 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.172 1.486 . . . . 0.0 108.885 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -121.4 -35.6 3.23 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.779 1.232 . . . . 0.0 111.843 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -146.22 158.09 43.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.275 1.43 . . . . 0.0 112.537 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.56 144.3 51.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 127.033 2.133 . . . . 0.0 109.752 169.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -77.79 148.27 34.86 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.42 0.628 . . . . 0.0 112.565 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.27 -10.64 27.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.386 1.075 . . . . 0.0 111.674 162.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.7 131.51 35.2 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.67 1.188 . . . . 0.0 113.025 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.23 173.06 8.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 127.204 2.202 . . . . 0.0 112.621 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -140.77 141.21 34.85 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.339 2.256 . . . . 0.0 109.864 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -78.9 123.66 27.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.172 0.896 . . . . 0.0 111.58 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 -30.23 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 52.82 52.81 13.21 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 124.906 1.282 . . . . 0.0 114.313 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.81 153.84 22.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.757 2.023 . . . . 0.0 114.102 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -96.21 133.83 40.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.096 1.358 . . . . 0.0 113.123 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.49 2.3 17.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.882 1.273 . . . . 0.0 113.453 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.45 165.39 39.37 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 114.343 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 50.02 27.36 2.43 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 115.15 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.81 -0.18 72.95 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 125.759 1.647 . . . . 0.0 115.592 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -87.94 137.5 32.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.513 1.657 . . . . 0.0 112.411 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.9 m -131.4 128.37 39.42 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.674 1.19 . . . . 0.0 112.168 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.1 105.27 17.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.369 1.868 . . . . 0.0 109.2 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.35 9.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.371 -0.831 . . . . 0.0 112.492 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -137.43 146.48 44.43 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.899 1.28 . . . . 0.0 112.045 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.76 137.53 54.89 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 126.216 1.807 . . . . 0.0 111.133 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.51 -164.17 11.06 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 126.647 2.07 . . . . 0.0 111.601 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.4 t -138.78 151.08 46.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.222 -1.163 . . . . 0.0 113.241 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -123.93 157.18 34.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.769 1.228 . . . . 0.0 112.317 164.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.7 m -121.24 130.32 53.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.603 1.561 . . . . 0.0 110.192 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -90.55 164.2 14.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.71 1.204 . . . . 0.0 112.271 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.4 p -61.66 -25.99 67.73 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -77.43 9.21 3.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.026 1.33 . . . . 0.0 114.202 171.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.66 -11.01 58.08 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.508 2.004 . . . . 0.0 115.518 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 36.6 p -85.39 155.72 21.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.173 1.389 . . . . 0.0 113.438 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.6 p -105.55 155.71 18.93 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.176 1.391 . . . . 0.0 113.422 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.95 158.94 44.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 112.076 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -89.61 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -166.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.48 160.74 41.71 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.902 1.281 . . . . 0.0 112.108 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.78 167.91 40.33 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 117.561 1.784 . . . . 0.0 117.561 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -92.51 109.35 20.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.429 2.291 . . . . 0.0 110.248 -172.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.59 113.61 27.23 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.393 1.477 . . . . 0.0 111.192 -172.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 55.9 tp -83.74 106.17 15.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 165.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.2 mt -77.54 150.52 34.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 123.853 0.861 . . . . 0.0 110.322 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.42 140.36 56.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.453 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -143.99 157.47 44.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.359 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.85 133.38 46.44 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.441 1.496 . . . . 0.0 111.999 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.13 -27.55 23.02 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.795 1.238 . . . . 0.0 113.295 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.32 154.66 41.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.674 1.124 . . . . 0.0 111.536 172.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -135.94 145.76 46.58 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.605 1.162 . . . . 0.0 113.381 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.6 t -152.9 162.56 41.15 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.078 1.351 . . . . 0.0 111.962 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -145.26 150.53 36.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.8 2.04 . . . . 0.0 111.414 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.36 114.87 6.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.573 0.749 . . . . 0.0 110.307 159.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.6 mt -129.33 133.89 47.65 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 110.769 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.37 1.868 . . . . 0.0 112.982 -179.374 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 56.0 p -122.6 -28.41 4.22 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.712 1.605 . . . . 0.0 114.6 -171.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.82 136.99 26.06 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.105 1.762 . . . . 0.0 109.898 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.34 168.38 24.96 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 122.732 0.413 . . . . 0.0 111.907 -176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -102.12 125.53 48.83 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 107.851 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.74 144.67 43.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.178 1.391 . . . . 0.0 111.37 -176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -114.43 135.42 54.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.32 1.848 . . . . 0.0 110.817 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -76.42 105.85 7.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.002 1.321 . . . . 0.0 109.309 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.77 -27.15 20.2 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -171.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -105.38 -5.87 20.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.21 31.15 9.28 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 117.056 1.583 . . . . 0.0 117.056 166.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -125.84 20.59 7.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.278 1.539 . . . . 0.0 113.693 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.12 160.32 35.94 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 126.581 2.039 . . . . 0.0 113.36 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.59 131.13 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.854 1.262 . . . . 0.0 109.277 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -129.82 150.36 51.15 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.214 1.405 . . . . 0.0 112.247 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -135.15 156.57 48.77 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.98 132.81 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 127.502 2.321 . . . . 0.0 109.844 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.85 154.45 48.04 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -118.04 165.9 13.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.306 1.842 . . . . 0.0 111.455 172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -123.75 153.26 41.17 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.266 1.426 . . . . 0.0 112.336 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.09 154.51 43.06 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 123.775 0.702 . . . . 0.0 112.641 167.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -152.59 152.98 32.47 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.415 1.486 . . . . 0.0 110.132 167.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -57.36 126.4 27.09 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.637 0.775 . . . . 0.0 112.558 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.05 -31.86 1.31 Allowed Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 126.274 1.892 . . . . 0.0 116.751 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -64.44 -21.08 66.54 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -92.59 -3.81 54.42 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.601 1.091 . . . . 0.0 113.812 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.38 148.37 29.36 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 119.959 1.254 . . . . 0.0 111.599 168.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -139.85 163.01 33.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.115 1.366 . . . . 0.0 111.686 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -99.04 -2.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.182 1.393 . . . . 0.0 114.719 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -149.7 6.07 0.62 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 -162.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.26 63.8 mtp85 62.61 18.16 10.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.998 2.119 . . . . 0.0 116.216 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.13 -24.04 26.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.81 170.67 51.84 Favored Glycine 0 CA--C 1.525 0.7 0 O-C-N 120.656 -1.278 . . . . 0.0 114.501 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -97.37 126.75 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 124.417 1.087 . . . . 0.0 108.338 168.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -94.49 6.74 47.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.966 1.706 . . . . 0.0 114.278 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.4 p -130.82 171.55 13.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.012 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.45 135.6 44.64 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.695 0.798 . . . . 0.0 110.851 164.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -150.81 155.77 39.89 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 125.262 1.425 . . . . 0.0 112.469 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -109.4 122.0 6.31 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 125.323 1.439 . . . . 0.0 112.031 170.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.26 172.44 12.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.217 1.407 . . . . 0.0 112.919 -163.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.1 m -72.06 152.7 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 120.571 -1.33 . . . . 0.0 112.797 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -57.26 155.56 8.68 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.454 1.502 . . . . 0.0 112.243 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -19.48 57.44 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.34 -24.28 34.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.47 176.58 5.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.42 1.888 . . . . 0.0 112.756 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.78 33.26 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 121.432 -0.793 . . . . 0.0 114.71 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.16 136.5 48.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.186 1.395 . . . . 0.0 111.289 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.2 127.67 32.62 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.341 1.056 . . . . 0.0 110.253 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -149.33 166.27 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.064 1.346 . . . . 0.0 111.763 -168.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -149.65 144.1 25.93 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.794 0.838 . . . . 0.0 111.757 161.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -76.92 120.3 21.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.353 0.661 . . . . 0.0 111.365 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -97.08 0.02 47.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.796 1.639 . . . . 0.0 113.896 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.78 1.34 3.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 116.612 2.079 . . . . 0.0 116.612 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 19.09 67.74 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 116.73 1.452 . . . . 0.0 116.73 171.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -99.22 -0.44 41.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.77 7.57 87.33 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.262 1.411 . . . . 0.0 115.654 173.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -133.34 160.18 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.802 1.641 . . . . 0.0 112.156 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 mm -98.49 101.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.412 1.485 . . . . 0.0 107.767 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -121.04 -6.98 9.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -171.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -131.36 147.06 52.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.631 1.172 . . . . 0.0 112.216 173.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.99 57.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.22 -17.44 61.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.766 1.283 . . . . 0.0 114.278 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.78 -17.02 61.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.46 1.104 . . . . 0.0 112.789 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.65 144.04 25.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.366 1.466 . . . . 0.0 110.248 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.2 112.39 10.3 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.524 0.329 . . . . 0.0 110.746 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.29 -172.63 38.3 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.682 1.134 . . . . 0.0 112.532 -172.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.07 -10.02 45.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -118.11 15.36 14.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.854 1.661 . . . . 0.0 114.124 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 t -76.01 156.55 33.94 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.928 1.291 . . . . 0.0 113.732 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -117.9 156.57 28.22 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 125.602 1.561 . . . . 0.0 112.239 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.1 mt -95.32 169.23 10.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 110.671 169.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.14 67.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.35 -16.71 59.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.601 -1.312 . . . . 0.0 113.527 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.8 -10.96 38.19 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 126.069 1.795 . . . . 0.0 115.912 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -71.87 151.75 43.15 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 120.038 1.919 . . . . 0.0 112.164 175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -71.89 154.57 41.15 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.813 0.845 . . . . 0.0 112.43 171.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.42 153.78 28.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.606 1.562 . . . . 0.0 111.59 165.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.04 -38.19 82.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -163.62 168.23 20.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.615 1.966 . . . . 0.0 111.302 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.58 92.88 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 125.029 1.3 . . . . 0.0 115.315 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -74.41 -30.42 61.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 119.892 1.846 . . . . 0.0 113.519 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.3 86.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.791 0.723 . . . . 0.0 112.678 169.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.9 93.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.359 1.064 . . . . 0.0 111.895 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.29 -36.89 84.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.281 -0.887 . . . . 0.0 112.562 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.94 -16.66 64.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -73.66 -27.95 61.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.471 1.032 . . . . 0.0 112.172 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.48 -14.45 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.285 1.434 . . . . 0.0 113.83 -177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.37 113.13 3.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.297 1.039 . . . . 0.0 112.178 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -73.77 -17.36 61.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -110.38 -23.65 11.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -165.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.22 35.02 35.18 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 118.813 0.733 . . . . 0.0 113.95 -168.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -105.28 -12.48 16.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.188 1.395 . . . . 0.0 113.135 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.63 26.83 15.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 127.396 2.278 . . . . 0.0 114.253 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.4 pt -129.02 153.37 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.336 1.454 . . . . 0.0 111.093 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.52 120.48 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 124.217 1.007 . . . . 0.0 109.681 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -149.65 175.5 11.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.477 1.511 . . . . 0.0 111.586 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 -17.85 14.24 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -173.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.27 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 120.854 -1.154 . . . . 0.0 113.056 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.8 123.47 27.74 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.813 1.245 . . . . 0.0 111.335 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.93 -30.61 66.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.185 -0.947 . . . . 0.0 112.966 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.67 58.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.98 -29.39 67.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 119.986 1.266 . . . . 0.0 112.573 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -78.26 -21.36 49.97 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.875 1.27 . . . . 0.0 114.219 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.4 p -115.15 -14.1 11.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.636 1.575 . . . . 0.0 114.887 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.41 147.23 53.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.633 1.173 . . . . 0.0 110.909 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -137.76 159.65 41.42 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.639 1.176 . . . . 0.0 110.689 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.88 126.34 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 109.233 170.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -99.96 127.42 46.15 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.909 1.284 . . . . 0.0 110.528 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -125.52 100.65 6.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.885 1.274 . . . . 0.0 109.175 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.4 131.88 44.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.147 -0.971 . . . . 0.0 111.35 -174.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.89 -17.46 37.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -116.08 1.15 13.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.663 1.185 . . . . 0.0 113.967 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 58.53 23.89 11.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 127.302 2.241 . . . . 0.0 114.624 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -77.19 -17.94 58.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.188 -1.57 . . . . 0.0 112.935 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.4 23.49 75.45 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.692 -1.06 . . . . 0.0 113.029 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -104.78 116.29 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 164.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 t -81.46 132.31 35.31 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.975 0.51 . . . . 0.0 112.276 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.35 150.51 37.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.408 1.483 . . . . 0.0 111.271 165.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -166.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -77.22 -6.25 52.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.73 -9.25 59.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.571 1.149 . . . . 0.0 113.896 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.51 145.19 29.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.262 1.425 . . . . 0.0 112.842 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.48 163.99 25.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.591 2.356 . . . . 0.0 113.219 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -77.25 165.93 23.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.062 1.345 . . . . 0.0 112.616 168.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.54 -36.64 79.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.209 1.003 . . . . 0.0 112.039 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.42 -31.27 62.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.56 -20.66 56.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.966 1.257 . . . . 0.0 113.087 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.09 2.79 37.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.533 1.533 . . . . 0.0 113.132 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.83 27.37 73.27 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 118.761 0.71 . . . . 0.0 114.394 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.1 mt -83.57 126.51 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 118.402 1.101 . . . . 0.0 109.856 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -90.41 -50.56 5.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.526 1.53 . . . . 0.0 110.925 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.2 p -157.59 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.612 1.165 . . . . 0.0 111.908 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.45 124.94 39.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.989 1.315 . . . . 0.0 110.966 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -94.29 113.9 25.89 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.495 1.118 . . . . 0.0 112.29 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 mt -73.65 0.13 13.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.242 1.417 . . . . 0.0 114.817 -174.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.27 116.98 25.72 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 120.454 -1.404 . . . . 0.0 112.833 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -102.17 170.26 8.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.871 1.668 . . . . 0.0 114.233 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -121.92 147.22 46.3 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.227 1.811 . . . . 0.0 108.713 151.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.22 136.94 52.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.544 0.338 . . . . 0.0 111.721 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.78 -27.35 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 125.208 1.403 . . . . 0.0 114.232 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.4 m120 46.72 49.3 14.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.578 1.951 . . . . 0.0 113.998 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -101.23 122.49 43.75 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.588 1.955 . . . . 0.0 112.553 -166.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -66.35 127.66 33.12 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.664 -0.648 . . . . 0.0 110.836 168.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.35 -26.42 11.5 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.824 0.85 . . . . 0.0 112.623 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 178.61 -172.09 44.4 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 125.546 1.546 . . . . 0.0 112.167 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -57.8 108.26 0.55 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.597 -0.943 . . . . 0.0 112.427 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.37 69.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.362 -1.243 . . . . 0.0 116.133 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -113.87 121.91 45.4 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 119.613 1.707 . . . . 0.0 111.647 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.9 m -142.43 131.47 23.14 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.624 1.57 . . . . 0.0 111.179 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.93 112.38 24.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.431 1.893 . . . . 0.0 110.292 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.96 -53.17 7.31 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.676 -0.64 . . . . 0.0 112.581 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -133.68 142.71 48.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.255 1.422 . . . . 0.0 110.089 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -141.87 141.21 33.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.705 -168.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.01 -150.13 5.25 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 127.677 2.56 . . . . 0.0 110.501 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 67.6 m -141.28 164.53 30.01 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -123.88 160.12 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.802 2.041 . . . . 0.0 109.947 167.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.4 m -106.61 134.51 49.64 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.086 1.754 . . . . 0.0 111.19 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -92.64 161.46 14.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.313 1.845 . . . . 0.0 111.325 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 37.3 p -63.32 -17.99 63.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -79.64 0.09 31.64 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 125.831 1.652 . . . . 0.0 114.785 169.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.85 -2.71 78.95 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 126.66 2.076 . . . . 0.0 115.512 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.0 p -80.18 160.47 25.64 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 119.63 1.715 . . . . 0.0 110.906 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 69.9 p -117.73 154.55 31.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.514 -0.741 . . . . 0.0 112.473 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.49 157.04 45.65 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.595 1.158 . . . . 0.0 111.124 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.82 150.7 36.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.636 0.775 . . . . 0.0 112.79 -168.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -147.2 159.59 43.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.846 1.258 . . . . 0.0 111.203 168.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.75 173.32 44.71 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.02 123.28 27.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.035 1.734 . . . . 0.0 111.443 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 55.1 tp -129.45 134.52 47.87 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.892 1.677 . . . . 0.0 112.656 -167.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.91 127.63 33.37 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.678 1.591 . . . . 0.0 110.189 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.32 133.13 53.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.315 1.446 . . . . 0.0 110.092 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -98.8 150.64 21.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.26 1.024 . . . . 0.0 112.449 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.11 141.47 19.64 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.255 1.022 . . . . 0.0 112.226 168.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.17 150.86 37.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.539 1.536 . . . . 0.0 114.921 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -131.13 14.48 5.16 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.471 1.908 . . . . 0.0 114.145 173.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 36.4 tp -113.8 -34.66 5.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 120.675 1.58 . . . . 0.0 114.768 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -122.89 -27.6 4.24 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 124.67 1.188 . . . . 0.0 113.849 -171.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.4 m -68.63 150.45 47.95 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.589 1.956 . . . . 0.0 113.405 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -125.24 109.72 13.18 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.888 1.675 . . . . 0.0 109.848 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -92.72 147.61 22.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.468 1.107 . . . . 0.0 111.785 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 57.3 mt 52.78 40.11 29.97 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.174 1.789 . . . . 0.0 113.198 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--O 1.243 0.755 0 C-N-CA 125.731 1.612 . . . . 0.0 111.738 -174.411 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.997 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.1 m -135.89 133.03 37.29 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.337 1.455 . . . . 0.0 109.917 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -142.85 166.35 24.88 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.504 1.122 . . . . 0.0 113.28 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.59 155.96 24.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.473 1.909 . . . . 0.0 112.741 168.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.8 mt -83.71 139.37 32.8 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.08 1.352 . . . . 0.0 112.808 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.49 160.25 40.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.78 1.632 . . . . 0.0 113.861 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mp -126.59 146.92 49.97 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.923 1.289 . . . . 0.0 113.066 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -85.1 103.43 14.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.097 1.359 . . . . 0.0 109.882 167.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.05 -25.23 32.31 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -166.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.36 -5.81 12.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.38 35.84 8.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -126.18 16.71 7.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.33 1.565 . . . . 0.0 114.74 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.49 162.24 31.47 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 125.689 1.614 . . . . 0.0 112.447 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.78 106.03 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -89.32 129.01 35.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.934 0.894 . . . . 0.0 111.287 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -129.63 148.2 51.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.848 1.259 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.334 2.254 . . . . 0.0 111.419 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.06 57.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.714 . . . . 0.0 111.495 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 t -155.82 155.95 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.813 1.645 . . . . 0.0 110.827 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -94.39 111.4 23.15 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.571 0.748 . . . . 0.0 109.487 156.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.89 141.04 22.19 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.11 -30.92 71.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m 44.03 61.33 2.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.271 1.828 . . . . 0.0 114.579 170.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.73 160.67 28.8 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 127.953 2.692 . . . . 0.0 114.808 10.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 m -50.14 -32.83 17.04 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -166.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.33 -34.29 74.43 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -135.77 -15.16 1.83 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -163.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -83.61 106.11 15.07 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 120.058 1.299 . . . . 0.0 110.774 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -150.54 0.41 0.43 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.294 1.437 . . . . 0.0 114.198 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.06 163.49 17.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 126.311 1.844 . . . . 0.0 111.773 -172.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -73.83 18.73 0.13 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.989 2.115 . . . . 0.0 113.604 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.7 164.72 32.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.805 1.642 . . . . 0.0 110.011 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.1 160.6 54.08 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.385 0.993 . . . . 0.0 114.359 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -78.12 136.59 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 124.351 1.06 . . . . 0.0 109.297 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -132.81 70.09 1.47 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.254 1.822 . . . . 0.0 111.155 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.5 p -133.47 160.98 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.429 1.492 . . . . 0.0 112.153 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.71 127.32 40.6 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.249 1.02 . . . . 0.0 110.327 167.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.6 p -114.96 82.59 1.76 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.902 0.881 . . . . 0.0 112.974 -164.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.61 127.75 8.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 146.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -121.77 159.77 25.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.427 1.113 . . . . 0.0 111.434 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.7 128.31 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 122.032 0.92 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 t -61.06 161.7 8.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.289 1.836 . . . . 0.0 112.243 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.74 -9.36 1.71 Allowed 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.74 -27.59 55.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 126.012 1.725 . . . . 0.0 114.053 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -128.83 -172.79 2.8 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.848 2.459 . . . . 0.0 113.013 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.59 37.65 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -95.73 144.74 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.897 2.079 . . . . 0.0 111.677 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.69 127.12 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 119.345 0.975 . . . . 0.0 111.051 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.87 164.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 112.086 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -124.72 114.3 19.11 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.57 1.548 . . . . 0.0 109.108 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -88.19 96.34 10.51 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.001 0.819 . . . . 0.0 109.957 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.48 -14.26 60.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.07 1.748 . . . . 0.0 114.153 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -126.52 0.05 6.88 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.25 15.72 76.93 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 116.374 1.31 . . . . 0.0 116.374 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -74.51 -5.18 41.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 119.589 1.695 . . . . 0.0 114.004 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.78 4.51 79.13 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 125.337 1.446 . . . . 0.0 115.325 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.7 pt -136.54 161.31 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 126.717 2.007 . . . . 0.0 111.934 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -94.09 122.69 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 123.444 0.698 . . . . 0.0 111.351 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -136.63 -14.42 1.67 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.197 1.399 . . . . 0.0 113.279 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -117.23 146.92 42.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.543 1.137 . . . . 0.0 111.502 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.25 -14.18 73.92 Favored Glycine 0 CA--C 1.525 0.701 0 O-C-N 120.855 -1.153 . . . . 0.0 115.62 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.33 -9.24 59.19 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 118.501 1.15 . . . . 0.0 113.859 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.3 -8.17 55.3 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.73 -1.231 . . . . 0.0 113.683 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -97.63 160.84 14.07 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.398 1.479 . . . . 0.0 111.749 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -107.31 133.1 52.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.131 0.972 . . . . 0.0 110.316 163.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.17 -178.99 40.53 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 125.482 1.515 . . . . 0.0 111.707 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.87 -1.57 20.08 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -123.36 3.74 9.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 125.517 1.527 . . . . 0.0 114.723 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -70.0 160.28 32.22 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 0.0 112.937 -178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -91.69 128.28 37.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.665 0.786 . . . . 0.0 111.672 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.36 158.26 36.28 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.469 1.107 . . . . 0.0 109.591 168.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.11 -22.95 61.66 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -170.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -84.92 -2.6 58.05 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.235 1.414 . . . . 0.0 114.762 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.32 -2.92 61.35 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 126.52 2.01 . . . . 0.0 114.542 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 m -74.57 167.68 21.27 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 119.511 1.655 . . . . 0.0 112.793 175.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.4 144.34 25.63 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.809 1.244 . . . . 0.0 112.533 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 157.28 25.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.516 1.126 . . . . 0.0 112.838 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.82 -44.3 10.6 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.216 1.407 . . . . 0.0 113.027 157.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -144.16 143.87 31.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.348 1.059 . . . . 0.0 111.422 -170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -55.22 -42.24 81.56 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 114.967 0.747 . . . . 0.0 114.967 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.78 -40.67 95.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 118.766 1.283 . . . . 0.0 111.842 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.35 59.1 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 112.299 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.78 81.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.767 1.227 . . . . 0.0 112.08 171.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.3 -39.7 71.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.077 0.951 . . . . 0.0 112.026 170.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.6 66.68 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.83 -24.14 65.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.811 1.187 . . . . 0.0 113.066 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.8 -13.0 60.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.47 1.108 . . . . 0.0 113.666 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.73 127.61 33.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 120.26 1.391 . . . . 0.0 112.303 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -90.67 -19.31 23.76 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.846 1.658 . . . . 0.0 115.287 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -110.92 -23.97 10.67 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -160.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.66 26.69 58.41 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.269 -0.895 . . . . 0.0 114.66 -165.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -102.34 8.49 40.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.644 1.722 . . . . 0.0 114.373 -174.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.0 t30 59.08 11.91 2.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.918 2.487 . . . . 0.0 116.281 -174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.7 pt -129.24 149.57 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 119.449 1.022 . . . . 0.0 113.547 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -98.59 115.72 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.781 1.633 . . . . 0.0 108.018 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.47 175.58 13.42 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 126.068 1.747 . . . . 0.0 112.131 -170.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.27 -17.77 8.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -13.8 61.9 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.84 1.2 . . . . 0.0 113.784 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -94.77 132.27 39.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.376 1.871 . . . . 0.0 112.398 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.22 -25.24 66.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.18 -16.84 55.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.14 -35.03 74.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -165.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -70.51 -19.9 62.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.818 -1.176 . . . . 0.0 113.963 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 p -79.43 -13.92 59.27 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.06 141.84 49.25 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.936 0.894 . . . . 0.0 111.902 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -141.31 162.53 35.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.944 1.698 . . . . 0.0 109.976 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.07 130.31 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.725 1.21 . . . . 0.0 109.021 165.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -99.62 107.7 19.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.936 0.894 . . . . 0.0 111.148 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -105.01 105.11 15.0 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.0 108.615 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -94.62 110.32 22.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.425 -0.797 . . . . 0.0 110.471 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.43 -25.79 67.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.936 0.894 . . . . 0.0 112.974 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -115.58 -4.48 12.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.829 1.652 . . . . 0.0 115.345 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 53.48 28.51 7.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 116.798 2.148 . . . . 0.0 116.798 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.17 -1.7 30.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.92 -6.1 72.36 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 120.012 -1.68 . . . . 0.0 115.285 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.17 139.76 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.829 1.652 . . . . 0.0 108.942 171.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -96.37 151.67 19.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.341 1.056 . . . . 0.0 112.572 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -136.43 157.88 45.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.964 1.705 . . . . 0.0 110.095 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.74 71.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -169.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.92 -9.15 58.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.24 -23.99 15.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.883 1.273 . . . . 0.0 112.924 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.36 131.14 34.45 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.4 0.68 . . . . 0.0 109.714 169.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -126.27 156.69 39.93 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.933 2.493 . . . . 0.0 111.216 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.0 p -73.68 158.71 34.2 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.626 -0.671 . . . . 0.0 111.665 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.07 -42.42 80.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.119 0.568 . . . . 0.0 110.327 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.06 -31.85 71.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.65 -18.24 61.58 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 120.402 1.455 . . . . 0.0 113.613 172.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.15 10.69 30.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 111.998 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.69 17.16 77.97 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-O 118.564 -1.131 . . . . 0.0 114.767 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.23 131.95 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-N 119.432 1.616 . . . . 0.0 109.575 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -101.96 -44.1 5.59 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 112.916 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.4 p -159.29 156.81 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.711 1.205 . . . . 0.0 111.992 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.66 132.69 54.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 109.456 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.67 145.09 24.81 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.127 0.971 . . . . 0.0 112.665 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.86 1.6 53.17 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.62 126.54 31.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 120.437 -1.414 . . . . 0.0 112.307 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -122.73 152.78 40.26 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.809 1.243 . . . . 0.0 113.747 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -139.15 126.78 21.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 127.685 2.394 . . . . 0.0 109.958 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -75.3 135.6 40.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.829 1.195 . . . . 0.0 112.194 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.8 -32.14 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 C-N-CA 124.576 1.15 . . . . 0.0 113.43 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.63 39.3 28.02 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.987 2.115 . . . . 0.0 116.094 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -76.17 129.54 36.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.631 1.172 . . . . 0.0 112.205 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -64.28 127.86 33.3 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.014 0.926 . . . . 0.0 111.483 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 mt -108.5 0.32 20.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.542 1.137 . . . . 0.0 113.092 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.77 163.1 36.15 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 125.343 1.449 . . . . 0.0 114.359 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m120 57.17 22.48 7.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.63 4.39 76.3 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-O 118.277 -1.29 . . . . 0.0 115.626 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -91.22 144.93 25.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.94 1.87 . . . . 0.0 111.203 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 56.4 m -141.75 127.69 19.45 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 125.654 1.581 . . . . 0.0 111.138 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.43 98.99 4.73 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 168.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.16 -55.47 9.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 112.218 -174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -140.56 146.14 37.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.323 1.449 . . . . 0.0 111.893 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.16 141.96 47.94 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.622 1.569 . . . . 0.0 111.964 -166.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.41 -165.87 10.42 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.52 2.486 . . . . 0.0 111.14 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 96.9 p -140.68 161.05 38.68 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -130.36 149.83 51.87 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.822 1.249 . . . . 0.0 111.573 168.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.7 m -95.23 134.8 37.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.496 1.518 . . . . 0.0 109.706 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -87.94 162.16 17.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.814 1.246 . . . . 0.0 111.848 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -59.83 -23.77 63.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 114.361 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -92.43 13.77 18.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 114.141 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.93 -9.54 30.87 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 126.159 1.838 . . . . 0.0 116.309 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.8 p -71.03 154.81 41.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.64 1.72 . . . . 0.0 111.97 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 16.8 m -106.62 139.04 41.69 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.532 1.133 . . . . 0.0 110.75 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -136.6 165.01 26.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 124.842 1.257 . . . . 0.0 112.399 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -87.79 144.4 26.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.414 1.486 . . . . 0.0 113.749 -163.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.8 ptm -145.35 167.08 23.76 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.808 1.243 . . . . 0.0 111.282 164.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -166.37 168.3 39.9 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-O 122.05 0.805 . . . . 0.0 114.701 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -98.78 108.18 20.8 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 126.302 1.841 . . . . 0.0 109.102 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.0 mp -101.91 118.48 37.01 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.283 1.033 . . . . 0.0 111.426 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 38.5 tp -97.38 134.17 41.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.947 2.099 . . . . 0.0 111.631 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt -94.04 137.22 33.49 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 172.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -79.81 151.95 30.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.362 1.065 . . . . 0.0 112.555 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -73.34 146.08 45.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.915 0.886 . . . . 0.0 112.1 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.77 127.06 31.76 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.009 -1.057 . . . . 0.0 110.395 166.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -63.19 138.79 58.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.043 1.337 . . . . 0.0 113.216 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 98.0 mt -84.16 103.09 13.08 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 123.452 0.701 . . . . 0.0 110.024 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -110.21 142.08 42.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.373 1.469 . . . . 0.0 111.549 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.5 m 55.21 38.66 30.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.124 1.37 . . . . 0.0 112.901 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.41 -8.13 48.49 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -165.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -102.13 -8.12 21.65 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.898 1.279 . . . . 0.0 113.733 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 61.1 mt -72.74 155.9 39.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.383 1.473 . . . . 0.0 111.718 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 125.534 1.533 . . . . 0.0 112.718 -176.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.19 31.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -163.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.74 131.46 49.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.844 2.057 . . . . 0.0 108.154 170.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.65 160.57 39.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.812 1.245 . . . . 0.0 113.798 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -115.14 140.57 48.96 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.225 1.81 . . . . 0.0 110.184 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -80.71 103.68 10.71 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.165 0.986 . . . . 0.0 109.566 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.54 -25.55 22.47 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -109.75 6.26 23.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 114.068 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.74 27.76 34.03 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 117.237 1.655 . . . . 0.0 117.237 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -129.58 22.78 5.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.661 1.731 . . . . 0.0 114.392 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.81 155.12 31.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 127.266 2.365 . . . . 0.0 114.055 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mt -76.09 125.59 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 121.515 -0.991 . . . . 0.0 108.829 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.27 150.6 49.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 112.865 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -137.27 157.32 46.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.933 2.093 . . . . 0.0 112.051 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.32 165.37 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.869 2.068 . . . . 0.0 111.572 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.492 0 O-C-N 121.274 -0.891 . . . . 0.0 111.646 161.509 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 113.674 0.23 . . . . 0.0 113.674 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -154.88 171.26 19.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.5 1.12 . . . . 0.0 112.909 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.78 123.15 25.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 124.828 1.251 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.5 p -71.89 140.34 49.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.476 0.71 . . . . 0.0 112.124 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -13.5 12.21 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -155.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.91 -24.02 67.4 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.72 1.145 . . . . 0.0 113.005 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.24 172.26 6.94 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.453 2.301 . . . . 0.0 112.547 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.43 156.5 27.02 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 115.19 0.836 . . . . 0.0 115.19 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.86 141.15 29.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.012 2.125 . . . . 0.0 110.262 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -85.38 127.09 34.24 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 123.74 0.816 . . . . 0.0 110.43 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.24 162.55 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.232 1.413 . . . . 0.0 112.989 -171.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -154.69 129.17 9.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.496 1.518 . . . . 0.0 110.123 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -71.87 114.61 10.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.021 0.439 . . . . 0.0 109.942 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -149.53 -19.73 0.28 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.22 154.27 31.44 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.136 1.374 . . . . 0.0 113.484 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.56 -17.42 62.26 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.2 -14.1 57.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 119.763 1.781 . . . . 0.0 113.912 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -84.65 -16.63 41.25 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.279 1.831 . . . . 0.0 112.665 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.72 139.09 37.45 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.08 1.352 . . . . 0.0 108.719 157.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.93 143.06 41.86 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.594 0.711 . . . . 0.0 111.104 163.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.1 176.11 22.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 125.814 1.674 . . . . 0.0 109.921 -165.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.45 -1.43 10.78 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.524 1.662 . . . . 0.0 115.476 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -102.8 9.27 39.09 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 126.177 1.791 . . . . 0.0 113.094 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 125.453 1.501 . . . . 0.0 112.248 165.131 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -19.21 65.53 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.2 65.36 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.51 -24.59 61.99 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.043 0.838 . . . . 0.0 112.42 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.27 -18.74 64.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.643 1.11 . . . . 0.0 113.441 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -70.99 -17.89 62.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.261 1.024 . . . . 0.0 113.258 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.8 mt -94.36 -12.17 28.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.575 1.55 . . . . 0.0 113.839 -169.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.26 128.52 36.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.15 0.886 . . . . 0.0 109.895 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -89.73 -36.23 15.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -106.51 -15.06 14.89 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.094 1.358 . . . . 0.0 114.1 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.09 33.56 26.11 Favored Glycine 0 C--O 1.221 -0.688 0 CA-C-N 119.903 1.229 . . . . 0.0 114.2 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -84.48 -12.92 53.37 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.304 1.052 . . . . 0.0 112.307 168.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.317 5.9 t30 68.27 29.72 5.88 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 128.353 2.661 . . . . 0.0 115.854 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.2 pt -128.07 144.92 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 124.414 1.086 . . . . 0.0 111.518 161.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 104.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -135.38 173.15 12.04 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.597 1.159 . . . . 0.0 111.845 -172.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.39 9.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.5 -17.36 45.4 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.384 -1.448 . . . . 0.0 114.61 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -78.14 136.96 37.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 120.758 1.617 . . . . 0.0 113.363 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.05 80.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.025 -1.047 . . . . 0.0 113.313 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.1 65.12 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -59.71 -34.94 73.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 119.409 1.004 . . . . 0.0 112.258 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.75 -23.4 39.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.835 0.854 . . . . 0.0 112.881 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m -82.64 -30.18 29.56 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.949 1.3 . . . . 0.0 114.173 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.33 147.0 53.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.625 1.17 . . . . 0.0 110.933 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -141.87 166.83 23.66 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.738 1.615 . . . . 0.0 111.009 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.1 t -122.44 140.72 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.876 1.27 . . . . 0.0 109.695 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -117.84 130.35 56.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -129.73 109.22 10.79 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.765 1.626 . . . . 0.0 110.904 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -104.05 119.21 38.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.456 1.103 . . . . 0.0 110.586 -175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.7 mt -88.14 -12.58 43.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.143 1.777 . . . . 0.0 113.08 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -113.82 -13.2 12.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.205 1.402 . . . . 0.0 113.38 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 55.64 38.04 29.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.021 2.129 . . . . 0.0 115.253 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.87 -3.97 58.89 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 114.656 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.47 -13.15 29.76 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.145 1.355 . . . . 0.0 115.413 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.6 mm -90.34 136.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.326 1.063 . . . . 0.0 108.915 169.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -95.14 123.3 38.56 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.66 1.184 . . . . 0.0 110.171 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -112.09 158.32 19.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.691 1.596 . . . . 0.0 111.546 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.3 70.35 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -68.72 -19.0 64.34 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.86 -5.35 58.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.594 1.558 . . . . 0.0 113.016 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.51 150.72 23.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.113 1.765 . . . . 0.0 112.922 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -135.98 135.37 39.48 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.498 2.319 . . . . 0.0 111.063 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.4 p -76.65 159.41 30.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.733 0.697 . . . . 0.0 111.102 162.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.39 -36.78 85.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.259 -0.9 . . . . 0.0 112.409 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -69.47 -40.01 77.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.403 0.681 . . . . 0.0 112.07 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.37 -21.42 63.8 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 tp -94.01 3.34 55.48 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.255 1.822 . . . . 0.0 113.314 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 24.86 74.21 Favored Glycine 0 C--N 1.335 0.485 0 O-C-N 120.817 -1.177 . . . . 0.0 114.537 176.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -84.67 141.22 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 124.92 1.288 . . . . 0.0 109.105 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.22 -39.65 3.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.844 1.258 . . . . 0.0 113.0 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 p -157.25 156.73 33.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -114.98 138.67 50.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.541 1.936 . . . . 0.0 109.367 169.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -85.8 133.88 33.96 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.458 0.703 . . . . 0.0 112.591 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.13 41.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.876 1.271 . . . . 0.0 111.958 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.36 127.75 22.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.474 1.509 . . . . 0.0 111.128 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -142.6 161.67 37.46 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.605 1.562 . . . . 0.0 113.747 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -121.74 144.71 48.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.749 2.019 . . . . 0.0 110.718 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.53 125.84 29.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.377 1.071 . . . . 0.0 111.263 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.91 -26.42 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 m120 47.15 41.42 11.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.431 1.893 . . . . 0.0 114.462 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -96.39 138.46 33.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.734 2.014 . . . . 0.0 110.864 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -74.13 146.24 43.69 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 111.071 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.04 5.82 12.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.41 1.484 . . . . 0.0 113.378 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.17 165.05 22.97 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 124.944 1.259 . . . . 0.0 114.446 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 50.24 28.54 3.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 114.357 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.63 8.73 85.67 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 125.195 1.379 . . . . 0.0 115.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.98 155.22 16.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.264 1.532 . . . . 0.0 111.915 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.9 m -138.61 146.02 41.25 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.165 1.386 . . . . 0.0 111.518 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 tp -107.28 109.56 21.36 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 127.247 2.219 . . . . 0.0 108.912 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.58 6.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.935 -0.478 . . . . 0.0 112.031 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -141.83 143.27 33.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.632 1.573 . . . . 0.0 110.139 -165.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -135.06 128.71 32.78 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.897 0.879 . . . . 0.0 112.311 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -123.43 -153.02 8.61 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 127.583 2.516 . . . . 0.0 111.878 167.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.3 p -148.96 155.27 40.59 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -162.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -143.89 159.46 42.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.048 1.339 . . . . 0.0 113.349 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.6 m -115.27 135.57 54.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.43 1.892 . . . . 0.0 111.313 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.39 153.58 17.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 126.47 1.908 . . . . 0.0 111.677 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.7 p -59.37 -31.89 69.63 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.569 1.147 . . . . 0.0 112.927 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -72.86 3.0 5.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.627 1.571 . . . . 0.0 114.908 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.74 5.58 87.98 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.29 1.424 . . . . 0.0 116.042 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 26.0 m -83.01 146.2 28.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.258 1.023 . . . . 0.0 110.925 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 p -118.64 144.67 46.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.798 1.239 . . . . 0.0 112.767 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.64 169.18 22.77 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 113.763 -171.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -85.17 148.5 26.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 113.022 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.9 ptm -142.11 153.85 44.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.618 1.167 . . . . 0.0 110.066 166.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.8 167.49 40.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -93.64 127.07 39.15 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.779 2.031 . . . . 0.0 111.386 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.12 150.9 42.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.994 1.717 . . . . 0.0 112.079 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -110.86 126.4 54.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.49 1.116 . . . . 0.0 108.021 160.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 CA--C 1.521 -0.152 0 C-N-CA 124.508 1.123 . . . . 0.0 111.142 -179.404 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.97 14.69 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -166.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.84 112.56 14.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.281 1.832 . . . . 0.0 109.503 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.85 150.88 36.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.185 0.994 . . . . 0.0 113.144 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -114.36 134.72 54.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 126.005 1.722 . . . . 0.0 109.59 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.03 108.53 7.83 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 163.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.0 -9.97 49.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.144 -0.972 . . . . 0.0 113.613 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -110.68 -20.73 12.41 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -170.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.25 36.95 6.84 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-O 119.286 -0.73 . . . . 0.0 114.118 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -145.36 26.63 1.3 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.113 1.365 . . . . 0.0 113.864 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 161.05 26.23 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 125.095 1.331 . . . . 0.0 114.299 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.77 132.83 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.268 1.027 . . . . 0.0 110.549 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -137.28 157.48 46.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.9 p -132.25 159.98 37.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.983 1.313 . . . . 0.0 113.57 -164.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 m -134.54 162.25 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 128.703 2.801 . . . . 0.0 110.623 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 O-C-N 121.058 -1.026 . . . . 0.0 112.242 177.286 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.48 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -152.58 171.99 17.29 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.96 2.104 . . . . 0.0 110.311 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 m -75.29 147.06 8.54 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 O-C-N 120.112 -1.617 . . . . 0.0 112.8 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -61.87 154.13 27.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.091 0.957 . . . . 0.0 112.102 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -10.92 45.71 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 120.68 -1.263 . . . . 0.0 113.303 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.3 -21.83 64.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.444 1.497 . . . . 0.0 113.255 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -128.08 -172.24 2.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.406 3.082 . . . . 0.0 112.411 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.79 168.28 37.57 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 120.187 -1.57 . . . . 0.0 114.935 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.46 145.29 30.49 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.725 1.61 . . . . 0.0 112.608 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -82.42 128.74 34.54 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.865 0.866 . . . . 0.0 111.309 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.81 160.41 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 125.12 1.368 . . . . 0.0 113.931 -168.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -153.96 138.81 17.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.133 2.173 . . . . 0.0 111.194 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.7 128.25 33.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 122.007 -0.433 . . . . 0.0 111.577 174.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.901 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.63 -8.1 1.1 Allowed 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -119.66 150.08 40.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.766 1.226 . . . . 0.0 111.934 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.14 -27.95 60.71 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 124.554 1.073 . . . . 0.0 115.769 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.44 -16.3 62.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.4 -16.12 53.12 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.083 1.353 . . . . 0.0 112.848 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.7 mt -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.245 -0.909 . . . . 0.0 111.363 160.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -70.34 127.2 31.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 154.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.41 -179.48 38.5 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.671 1.605 . . . . 0.0 110.649 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.16 1.35 7.68 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.431 1.616 . . . . 0.0 115.266 -174.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 3.7 35.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.02 1.728 . . . . 0.0 112.541 168.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.443 -0.778 0 O-C-N 120.315 -1.49 . . . . 0.0 112.617 -177.215 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.1 75.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.174 -0.954 . . . . 0.0 112.747 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.16 -32.14 73.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -71.32 -38.93 71.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 118.843 0.747 . . . . 0.0 111.733 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.41 68.03 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -71.85 -3.29 21.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.87 0.43 46.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.466 1.506 . . . . 0.0 114.924 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.08 122.72 25.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 118.787 0.721 . . . . 0.0 111.484 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -83.45 -37.41 23.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -109.32 -16.68 13.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.707 1.603 . . . . 0.0 115.311 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.22 27.54 27.76 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.96 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -84.04 -2.54 56.87 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.35 1.575 . . . . 0.0 113.015 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 t30 65.68 24.54 11.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.339 1.856 . . . . 0.0 114.933 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.3 pt -133.52 155.34 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 125.522 1.529 . . . . 0.0 112.148 167.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.49 112.31 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 124.959 1.304 . . . . 0.0 108.503 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -141.65 172.84 12.14 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.572 1.949 . . . . 0.0 111.729 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.92 -15.55 22.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.987 2.217 . . . . 0.0 116.987 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.66 -16.21 45.95 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.685 1.194 . . . . 0.0 114.127 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.58 132.21 38.2 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.596 1.158 . . . . 0.0 110.784 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.88 76.48 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.654 -1.279 . . . . 0.0 113.923 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.11 66.49 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.38 -34.44 61.24 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.508 1.123 . . . . 0.0 113.064 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.81 -30.78 71.07 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.332 1.453 . . . . 0.0 113.569 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -92.46 -14.35 28.62 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.824 1.649 . . . . 0.0 113.612 -173.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.29 143.99 57.48 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 111.541 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.7 168.47 19.22 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.928 1.691 . . . . 0.0 109.677 166.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.7 t -118.63 135.2 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 124.771 1.228 . . . . 0.0 109.426 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -109.09 124.59 51.03 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.32 1.048 . . . . 0.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -123.85 99.55 6.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.914 1.286 . . . . 0.0 110.427 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -93.66 129.0 40.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.722 0.809 . . . . 0.0 112.418 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.5 mt -88.68 -22.9 23.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.462 1.505 . . . . 0.0 114.984 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -114.27 -8.29 12.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.353 1.461 . . . . 0.0 114.692 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 54.53 36.09 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.837 2.055 . . . . 0.0 114.467 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.72 5.64 31.3 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -173.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.95 5.86 88.92 Favored Glycine 0 N--CA 1.445 -0.743 0 O-C-N 120.608 -1.307 . . . . 0.0 115.754 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.4 tt -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 119.788 1.794 . . . . 0.0 111.156 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.0 p -107.88 162.03 14.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.519 1.128 . . . . 0.0 113.664 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 168.72 19.1 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.906 2.082 . . . . 0.0 109.487 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.47 67.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.19 -21.15 62.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -95.12 -17.85 21.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.358 1.063 . . . . 0.0 113.191 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.36 123.33 45.27 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.297 1.439 . . . . 0.0 110.706 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -125.63 152.94 44.51 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.569 1.547 . . . . 0.0 112.493 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.1 p -82.17 159.05 23.39 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.625 1.17 . . . . 0.0 112.57 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.37 -33.71 76.49 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.247 -0.908 . . . . 0.0 111.058 168.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.57 -46.91 88.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.84 1.256 . . . . 0.0 113.418 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.48 -17.27 58.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 119.423 1.01 . . . . 0.0 113.331 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.46 -4.51 58.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.88 1.272 . . . . 0.0 112.779 165.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.54 75.87 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 125.368 1.461 . . . . 0.0 115.06 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.81 127.78 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 119.109 1.455 . . . . 0.0 109.972 -173.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.95 -36.27 9.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.577 1.551 . . . . 0.0 112.686 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.9 p -157.56 162.55 38.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt -112.79 139.25 48.57 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.828 1.651 . . . . 0.0 110.338 168.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.75 153.37 40.04 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 118.809 0.731 . . . . 0.0 112.794 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.6 mt -105.62 -8.11 18.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.17 134.14 35.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.253 0.621 . . . . 0.0 111.506 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.32 161.82 41.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 111.788 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -137.33 148.22 46.15 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 112.091 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.06 132.3 52.42 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.887 1.275 . . . . 0.0 111.906 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.66 -25.1 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 114.128 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 m120 47.14 43.03 13.95 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.492 1.917 . . . . 0.0 115.308 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -83.34 133.44 34.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.628 1.971 . . . . 0.0 112.281 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -76.32 132.46 39.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.572 0.749 . . . . 0.0 111.244 167.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -106.54 -1.72 22.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.5 1.52 . . . . 0.0 113.705 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.87 163.27 38.54 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 126.571 2.034 . . . . 0.0 114.657 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.6 t30 57.35 17.24 3.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.067 1.747 . . . . 0.0 115.583 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.63 4.29 57.09 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 126.348 1.928 . . . . 0.0 115.739 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -93.97 146.83 23.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.907 1.353 . . . . 0.0 111.599 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -140.73 140.58 34.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.7 1.2 . . . . 0.0 111.277 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.8 tp -106.97 111.11 23.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.771 2.028 . . . . 0.0 109.339 167.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.2 -53.8 6.06 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.11 139.66 41.39 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.137 1.375 . . . . 0.0 110.626 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -131.37 138.01 48.96 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.774 1.229 . . . . 0.0 111.997 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.5 -148.54 6.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 128.656 3.027 . . . . 0.0 111.912 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.3 t -147.29 162.59 38.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.405 1.082 . . . . 0.0 113.496 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -130.3 158.83 38.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.655 1.582 . . . . 0.0 111.89 165.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.3 m -120.95 137.93 54.38 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.631 1.572 . . . . 0.0 111.623 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -102.89 162.55 12.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.838 1.655 . . . . 0.0 114.449 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.4 p -60.28 -34.8 74.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.523 1.929 . . . . 0.0 113.556 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 -77.97 2.68 16.81 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.64 -5.04 82.44 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.115 1.817 . . . . 0.0 115.596 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 62.4 p -76.42 154.63 34.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 119.553 1.677 . . . . 0.0 112.982 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 32.2 p -128.35 151.57 49.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.0 1.72 . . . . 0.0 111.47 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.69 160.88 43.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.392 1.077 . . . . 0.0 111.255 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.14 151.95 38.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.8 ptm -143.93 155.93 44.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.77 1.628 . . . . 0.0 110.951 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -172.82 166.02 38.53 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 118.559 2.184 . . . . 0.0 118.559 -172.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -76.83 113.71 14.8 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.239 2.215 . . . . 0.0 110.931 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.24 129.77 55.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.171 1.388 . . . . 0.0 111.738 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.61 111.21 23.38 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 107.636 167.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.838 0.855 . . . . 0.0 111.839 -173.614 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.99 166.05 28.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.33 133.31 53.74 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.291 1.437 . . . . 0.0 111.304 162.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.0 147.24 49.59 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 125.605 1.562 . . . . 0.0 112.747 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.88 140.31 49.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.066 1.746 . . . . 0.0 110.106 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -97.51 115.05 27.08 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.27 -17.2 63.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -112.89 -2.81 14.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.641 1.976 . . . . 0.0 114.4 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.52 12.52 73.56 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 126.773 2.13 . . . . 0.0 117.0 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.66 -32.11 57.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 120.06 1.93 . . . . 0.0 114.135 -168.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.52 131.05 2.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 126.229 1.871 . . . . 0.0 110.614 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.91 131.29 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 O-C-N 120.869 -1.371 . . . . 0.0 110.435 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.83 150.43 39.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.301 1.84 . . . . 0.0 113.65 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -138.99 160.54 39.54 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.287 1.435 . . . . 0.0 114.153 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.26 170.06 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 127.763 2.425 . . . . 0.0 111.569 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 C-N-CA 122.93 0.492 . . . . 0.0 110.982 155.441 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.013 0 N-CA-C 114.571 0.588 . . . . 0.0 114.571 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -152.45 171.89 17.37 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -78.58 146.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 124.099 0.96 . . . . 0.0 112.018 169.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -65.4 157.6 28.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 121.729 -0.607 . . . . 0.0 112.355 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.65 56.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.274 1.429 . . . . 0.0 114.156 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.37 -25.57 68.09 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.865 2.466 . . . . 0.0 114.823 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -120.57 177.1 5.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.246 2.218 . . . . 0.0 111.852 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.96 170.57 34.3 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.218 -1.551 . . . . 0.0 116.151 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.0 mt -106.38 150.18 26.26 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.428 1.491 . . . . 0.0 113.072 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -89.32 117.93 28.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.54 150.09 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 125.585 1.554 . . . . 0.0 112.945 -166.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.84 142.86 23.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.483 1.113 . . . . 0.0 111.642 169.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -78.82 114.03 17.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.529 0.681 . . . . 0.0 111.36 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.443 -0.823 0 C-N-CA 124.144 0.978 . . . . 0.0 112.235 179.544 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -155.0 -20.93 0.12 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -104.11 146.11 29.22 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.309 1.044 . . . . 0.0 111.516 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.66 -33.31 81.79 Favored Glycine 0 CA--C 1.525 0.706 0 O-C-N 121.211 -0.931 . . . . 0.0 114.42 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.71 -9.38 58.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.9 -21.15 51.67 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.977 1.311 . . . . 0.0 112.493 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.21 135.02 36.67 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.176 2.19 . . . . 0.0 110.995 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -71.62 134.0 46.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.943 -0.473 . . . . 0.0 111.68 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.78 37.0 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.418 1.961 . . . . 0.0 110.125 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.29 -6.62 24.97 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -173.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -119.23 25.33 10.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.236 1.414 . . . . 0.0 112.805 170.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.443 -0.785 0 O-C-N 121.104 -0.997 . . . . 0.0 111.842 169.334 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.1 p90 . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.3 62.99 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 119.478 1.035 . . . . 0.0 112.804 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.18 -37.57 63.9 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.988 0.915 . . . . 0.0 112.546 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.47 -33.75 76.39 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.198 0.999 . . . . 0.0 112.794 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -17.27 60.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.35 -22.61 65.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.749 -1.219 . . . . 0.0 113.542 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.43 -12.85 60.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -171.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -72.43 124.83 25.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.271 0.941 . . . . 0.0 112.281 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -91.52 -35.47 14.28 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -111.15 -7.84 14.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.928 1.691 . . . . 0.0 114.402 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.55 24.12 59.21 Favored Glycine 0 C--N 1.342 0.897 0 O-C-N 121.07 -1.018 . . . . 0.0 114.739 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -80.94 -3.37 51.3 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.693 1.246 . . . . 0.0 113.114 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.59 22.26 10.56 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 126.88 2.072 . . . . 0.0 114.411 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 pt -130.2 143.71 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.85 1.26 . . . . 0.0 111.141 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -96.94 107.83 20.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -138.76 171.94 13.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.933 0.893 . . . . 0.0 112.971 -167.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.21 13.24 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.71 -12.95 49.9 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.62 133.97 39.46 Favored 'General case' 0 C--O 1.226 -0.179 0 O-C-N 121.119 -0.988 . . . . 0.0 110.619 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.13 73.02 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 120.402 -1.436 . . . . 0.0 113.908 -169.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -17.18 64.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.736 1.214 . . . . 0.0 114.205 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -66.37 -30.39 70.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 120.212 1.369 . . . . 0.0 112.781 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.03 -15.64 61.51 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -2.02 22.76 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.877 1.271 . . . . 0.0 113.757 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.4 tp -83.86 129.98 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.212 1.405 . . . . 0.0 110.853 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -132.86 163.84 28.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.648 1.579 . . . . 0.0 112.53 -169.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -123.4 136.91 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.767 1.627 . . . . 0.0 109.541 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -107.0 116.95 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.066 1.746 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -114.18 101.04 8.83 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 125.396 1.478 . . . . 0.0 109.172 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.14 137.24 56.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.291 1.037 . . . . 0.0 111.449 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.62 -29.99 36.8 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.01 -12.76 14.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.159 1.383 . . . . 0.0 113.783 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 57.54 52.67 8.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.842 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -98.96 -16.22 18.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.047 0.939 . . . . 0.0 113.165 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.22 22.71 77.33 Favored Glycine 0 N--CA 1.444 -0.77 0 O-C-N 121.486 -0.759 . . . . 0.0 113.144 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.6 mm -110.1 123.38 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 170.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -89.7 141.78 28.29 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -167.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -137.32 146.15 44.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 125.772 1.629 . . . . 0.0 110.387 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.55 66.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -63.99 -16.61 61.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -90.56 -1.02 57.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.484 1.514 . . . . 0.0 113.961 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.0 mt -96.3 154.27 17.35 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 126.011 1.725 . . . . 0.0 112.811 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.71 151.9 32.04 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.426 1.49 . . . . 0.0 111.892 167.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.0 p -83.42 153.52 24.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.831 0.853 . . . . 0.0 112.655 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -38.79 88.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.581 -0.699 . . . . 0.0 112.566 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -34.24 72.05 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 121.351 -0.843 . . . . 0.0 112.243 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -72.83 -29.69 63.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.389 -0.819 . . . . 0.0 112.713 172.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.79 -8.58 57.2 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.052 1.741 . . . . 0.0 113.727 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.37 19.95 77.62 Favored Glycine 0 C--N 1.334 0.438 0 CA-C-N 119.602 1.092 . . . . 0.0 115.088 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 69.2 mt -88.85 129.3 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.849 1.66 . . . . 0.0 108.75 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -106.97 -38.93 5.9 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.052 0.941 . . . . 0.0 113.381 -171.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 p -154.25 148.62 26.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.6 mt -109.36 133.87 52.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.633 1.973 . . . . 0.0 109.815 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.95 136.88 33.42 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.293 0.637 . . . . 0.0 111.354 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.14 -16.06 48.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.802 1.241 . . . . 0.0 113.894 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.92 145.86 33.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.586 1.085 . . . . 0.0 112.816 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.9 160.79 38.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.917 1.687 . . . . 0.0 112.933 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -133.04 145.23 50.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.578 1.951 . . . . 0.0 109.494 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . 0.276 3.0 p30 -79.83 151.3 30.34 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.155 0.979 . . . . 0.0 112.947 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.75 -31.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.931 1.692 . . . . 0.0 112.825 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.1 m120 48.31 59.71 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.288 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.08 140.52 48.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.762 1.625 . . . . 0.0 112.516 -173.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.9 141.3 32.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.348 1.059 . . . . 0.0 111.006 165.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.4 mt -110.51 8.22 22.93 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.645 1.578 . . . . 0.0 113.672 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.0 164.64 30.08 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 125.371 1.463 . . . . 0.0 113.022 -164.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.5 10.68 1.02 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.909 1.684 . . . . 0.0 114.95 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.16 13.49 73.15 Favored Glycine 0 N--CA 1.442 -0.943 0 O-C-N 119.865 -1.772 . . . . 0.0 114.966 -171.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -77.87 144.07 37.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.333 1.566 . . . . 0.0 110.018 165.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.1 m -140.27 137.93 34.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -162.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.1 tp -107.11 113.63 27.2 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.904 2.082 . . . . 0.0 110.198 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.71 -52.7 5.88 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 124.208 1.003 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.19 153.33 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.202 1.801 . . . . 0.0 111.039 -174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -130.96 147.09 52.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 0.0 111.448 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.52 -170.63 16.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 127.297 2.379 . . . . 0.0 112.06 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -142.2 143.73 33.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 17.8 p90 -124.28 160.05 28.85 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.825 1.25 . . . . 0.0 111.726 168.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 88.7 m -119.62 139.69 51.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.519 1.528 . . . . 0.0 111.296 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -100.33 162.43 12.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 112.896 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 28.1 p -62.76 -25.72 68.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -80.99 9.97 5.79 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.74 -11.53 59.21 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 125.811 1.672 . . . . 0.0 115.6 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.6 p -78.24 162.64 26.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 118.959 1.38 . . . . 0.0 112.674 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 55.7 p -114.5 161.27 18.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -155.14 163.06 40.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.56 1.144 . . . . 0.0 112.433 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -82.16 143.67 31.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.712 1.605 . . . . 0.0 113.555 -170.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.5 ptm -135.12 164.81 26.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.042 1.337 . . . . 0.0 110.102 162.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.71 171.38 39.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -112.72 113.4 25.49 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.243 1.817 . . . . 0.0 110.441 -172.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.85 147.09 35.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.078 1.351 . . . . 0.0 113.537 -170.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 41.9 tp -115.65 116.73 28.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.962 1.305 . . . . 0.0 109.204 159.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 125.507 1.523 . . . . 0.0 111.279 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -158.81 168.65 26.27 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.527 1.531 . . . . 0.0 112.807 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.67 134.84 34.35 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.071 0.948 . . . . 0.0 112.729 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.01 160.69 31.15 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.386 1.874 . . . . 0.0 113.062 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.9 143.4 50.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.54 1.936 . . . . 0.0 111.217 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -86.75 120.75 28.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.438 1.095 . . . . 0.0 111.426 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -88.74 -13.72 38.89 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.546 1.138 . . . . 0.0 113.696 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.15 -17.71 13.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.708 1.203 . . . . 0.0 113.617 -172.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.37 36.46 49.9 Favored Glycine 0 C--O 1.219 -0.787 0 C-N-CA 123.705 0.669 . . . . 0.0 113.819 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -124.11 -13.95 7.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.622 1.569 . . . . 0.0 113.172 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 150.55 6.46 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 126.551 2.024 . . . . 0.0 112.337 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.96 132.84 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.166 1.386 . . . . 0.0 109.614 174.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -138.34 149.86 46.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.874 1.67 . . . . 0.0 112.796 -168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -143.07 163.09 33.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.171 1.788 . . . . 0.0 113.45 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.81 174.72 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 128.334 2.654 . . . . 0.0 110.663 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.896 0 O-C-N 121.04 -1.037 . . . . 0.0 111.565 156.489 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 CA-C-O 120.337 -0.146 . . . . 0.0 113.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -148.59 167.37 25.62 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 117.75 0.775 . . . . 0.0 112.018 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.85 151.07 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 112.069 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -63.03 158.74 18.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 111.028 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -9.95 29.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 120.349 -1.47 . . . . 0.0 113.295 170.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.87 3.17 35.0 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 129.338 3.055 . . . . 0.0 113.88 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.34 178.54 8.68 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 130.241 3.416 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.62 163.52 32.63 Favored Glycine 0 N--CA 1.438 -1.223 0 O-C-N 119.848 -1.782 . . . . 0.0 115.407 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 134.97 52.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.036 1.734 . . . . 0.0 110.465 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -81.95 122.99 28.47 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.699 1.199 . . . . 0.0 112.233 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.7 m -145.46 165.76 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.144 1.378 . . . . 0.0 113.452 -168.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -147.36 138.27 23.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.772 2.029 . . . . 0.0 111.563 169.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -82.93 120.66 25.98 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 121.743 -0.598 . . . . 0.0 110.556 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.803 . . . . 0.0 113.999 -175.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.647 ' N ' ' HG ' ' A' ' 114' ' ' SER . 40.2 mm . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.411 0.624 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -136.08 -5.11 2.13 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.45 145.99 47.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.617 1.099 . . . . 0.0 111.741 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.36 -19.04 45.55 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.78 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.79 1.295 . . . . 0.0 114.019 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -85.87 -7.25 58.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.623 1.569 . . . . 0.0 114.618 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -91.97 152.06 20.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.776 1.23 . . . . 0.0 110.172 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.03 128.4 35.72 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.714 -0.616 . . . . 0.0 111.57 167.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 177.71 -153.68 13.8 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.212 0.911 . . . . 0.0 112.157 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -27.08 62.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.491 1.116 . . . . 0.0 111.538 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.4 7.51 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.574 -1.329 . . . . 0.0 113.357 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 123.866 0.866 . . . . 0.0 110.628 175.862 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.87 58.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.442 -1.411 . . . . 0.0 113.126 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.42 -44.8 34.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.641 0.776 . . . . 0.0 112.5 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.96 -34.36 77.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.49 78.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -82.91 -14.53 54.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.8 mt -80.48 -21.9 41.54 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.198 -0.939 . . . . 0.0 112.437 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.55 119.66 8.48 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.625 1.17 . . . . 0.0 111.486 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.0 m -72.21 -19.98 61.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.589 1.155 . . . . 0.0 113.947 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -104.65 -16.25 15.04 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.354 1.462 . . . . 0.0 113.183 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.91 42.49 37.63 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.012 1.291 . . . . 0.0 115.289 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.39 12.89 15.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.14 1.376 . . . . 0.0 113.677 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 t30 58.71 24.57 12.36 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.854 2.461 . . . . 0.0 115.129 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.58 131.17 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.016 1.327 . . . . 0.0 108.187 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.0 mm -89.28 107.46 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -130.03 168.17 17.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.097 1.359 . . . . 0.0 111.859 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.54 13.98 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.88 -23.04 63.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.2 142.61 31.05 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.718 1.207 . . . . 0.0 112.898 -173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.0 90.97 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 120.817 -1.177 . . . . 0.0 113.898 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.97 66.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.411 1.084 . . . . 0.0 113.583 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -57.48 -29.24 64.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.923 0.889 . . . . 0.0 112.229 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.72 -31.12 59.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.271 1.428 . . . . 0.0 112.842 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 m -83.34 -30.42 27.49 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.772 1.229 . . . . 0.0 113.755 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.56 149.0 40.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.023 0.929 . . . . 0.0 113.053 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -134.65 156.73 48.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.763 1.625 . . . . 0.0 110.354 171.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.38 128.21 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 124.058 0.943 . . . . 0.0 108.809 170.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.31 116.36 28.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.204 1.002 . . . . 0.0 109.011 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.54 108.05 17.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.006 1.723 . . . . 0.0 108.831 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -107.02 116.28 31.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.905 0.882 . . . . 0.0 111.214 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.49 -12.34 60.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -112.82 -16.76 12.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 46.8 65.19 1.28 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 126.468 1.907 . . . . 0.0 113.161 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -115.88 -8.57 11.92 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.599 1.56 . . . . 0.0 114.06 -171.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.98 10.95 84.12 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 125.225 1.393 . . . . 0.0 114.69 -173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.9 125.84 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-N 119.784 1.792 . . . . 0.0 108.523 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.647 ' HG ' ' N ' ' A' ' 55' ' ' ILE . 31.0 t -82.3 137.92 34.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.52 0.728 . . . . 0.0 111.922 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.1 147.46 51.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.521 1.128 . . . . 0.0 110.379 165.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.76 76.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -62.26 -19.32 63.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -86.06 -7.61 58.5 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.776 1.63 . . . . 0.0 112.9 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.95 127.39 36.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.754 1.222 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -106.81 140.23 39.97 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.508 1.923 . . . . 0.0 109.892 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -72.13 159.12 34.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 161.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.32 -32.93 73.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.212 -0.93 . . . . 0.0 111.781 171.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.18 -34.49 63.79 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.35 -19.45 63.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.445 -2.034 . . . . 0.0 113.631 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.72 -2.14 58.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.619 1.568 . . . . 0.0 112.783 170.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.12 25.08 74.61 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.523 1.059 . . . . 0.0 114.753 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.7 mt -77.29 142.81 13.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 118.486 1.143 . . . . 0.0 109.559 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.0 -47.99 3.16 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.312 1.445 . . . . 0.0 112.537 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -155.55 143.41 19.82 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.6 mt -117.24 100.35 7.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.254 2.622 . . . . 0.0 109.431 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -79.99 119.5 22.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.749 0.82 . . . . 0.0 111.007 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.4 mt -80.59 2.7 24.55 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 114.733 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.45 41.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.442 1.019 . . . . 0.0 112.046 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -146.58 152.28 38.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -116.14 143.13 45.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.974 2.51 . . . . 0.0 110.49 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.26 129.47 40.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.715 1.206 . . . . 0.0 110.63 171.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.14 -28.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m120 48.5 51.2 15.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.93 2.092 . . . . 0.0 115.707 166.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.35 140.32 31.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.79 1.636 . . . . 0.0 112.787 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -81.47 128.13 33.55 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.196 0.998 . . . . 0.0 108.879 162.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 37.4 mt -109.24 9.19 25.97 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 113.668 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 82.59 164.12 34.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 124.572 1.082 . . . . 0.0 113.638 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 53.33 29.38 8.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.06 1.744 . . . . 0.0 114.88 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.76 2.78 78.16 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 126.201 1.858 . . . . 0.0 115.28 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -95.15 144.15 26.01 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.977 1.311 . . . . 0.0 112.816 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -136.16 138.73 42.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 111.753 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -106.6 104.7 14.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.658 1.583 . . . . 0.0 109.186 168.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.03 -47.47 11.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -133.09 134.64 44.55 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.395 1.478 . . . . 0.0 110.721 -168.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -137.24 136.23 37.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.963 1.305 . . . . 0.0 113.116 -170.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.82 -167.27 13.28 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 127.221 2.344 . . . . 0.0 112.436 165.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.6 t -140.02 149.42 43.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.896 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -130.15 165.92 21.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.517 1.527 . . . . 0.0 112.292 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 83.0 m -128.3 141.43 51.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.351 1.061 . . . . 0.0 112.087 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -101.75 159.97 14.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.594 1.958 . . . . 0.0 113.408 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 61.8 p -64.19 -27.97 69.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -77.98 -1.65 33.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.64 -6.67 74.26 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.693 1.616 . . . . 0.0 115.302 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 65.1 p -75.16 155.94 36.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.814 1.307 . . . . 0.0 112.114 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 64.2 p -135.07 152.28 51.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.003 1.321 . . . . 0.0 111.933 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.2 40.32 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.263 1.425 . . . . 0.0 111.434 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -77.65 156.51 30.7 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.0 ptm -139.47 157.91 45.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.533 1.933 . . . . 0.0 109.64 167.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.79 174.19 43.04 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 121.191 1.814 . . . . 0.0 117.493 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -85.07 108.69 17.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.23 1.812 . . . . 0.0 110.41 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.4 mt -96.45 127.77 42.76 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.287 1.435 . . . . 0.0 110.608 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -89.81 111.0 21.89 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 158.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.514 -0.41 0 C-N-CA 123.963 0.905 . . . . 0.0 110.757 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 121.383 0.611 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.87 163.88 34.67 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.609 1.164 . . . . 0.0 109.994 170.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.81 116.97 9.91 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.66 168.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.91 146.19 40.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.553 1.541 . . . . 0.0 110.837 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.22 133.02 55.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.706 1.602 . . . . 0.0 110.52 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -77.23 124.65 28.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -81.92 -18.71 42.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.07 -22.12 11.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -166.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.88 43.09 18.65 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.925 0.784 . . . . 0.0 112.81 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -138.48 7.0 2.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.203 1.801 . . . . 0.0 114.428 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.98 24.0 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 125.92 1.724 . . . . 0.0 114.572 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.66 122.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 C-N-CA 124.777 1.231 . . . . 0.0 109.351 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -104.48 144.45 31.66 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.925 1.29 . . . . 0.0 113.111 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -138.37 148.93 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.652 1.181 . . . . 0.0 112.275 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -145.74 164.62 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 C-N-CA 126.594 1.958 . . . . 0.0 111.817 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.226 0 C-N-CA 125.639 1.576 . . . . 0.0 109.902 169.422 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.039 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -134.53 165.86 24.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.793 1.637 . . . . 0.0 111.539 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.44 128.13 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 120.489 -1.382 . . . . 0.0 110.843 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -54.23 156.45 3.16 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.389 1.876 . . . . 0.0 113.523 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.48 2.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 113.892 168.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.47 -20.7 50.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.572 1.549 . . . . 0.0 115.083 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.75 -177.84 5.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 127.045 2.138 . . . . 0.0 111.818 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.54 178.74 33.73 Favored Glycine 0 N--CA 1.443 -0.871 0 O-C-N 119.066 -2.271 . . . . 0.0 117.664 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.99 146.65 41.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.639 1.976 . . . . 0.0 113.245 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.43 124.37 29.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.632 1.173 . . . . 0.0 111.343 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.19 159.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.767 1.227 . . . . 0.0 113.384 -170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -156.74 116.43 3.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -70.72 119.72 15.27 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.395 1.078 . . . . 0.0 110.278 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 N--CA 1.447 -0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 113.105 -178.811 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.02 -6.45 0.75 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -120.17 149.05 42.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.822 1.649 . . . . 0.0 110.519 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.79 -27.42 72.03 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 120.143 -1.598 . . . . 0.0 115.598 -168.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -7.78 48.75 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.21 -7.38 53.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 113.394 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 144.02 28.19 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.774 1.23 . . . . 0.0 109.334 164.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -74.04 106.08 5.56 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 167.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -169.46 -161.24 19.48 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.609 2.052 . . . . 0.0 112.162 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -77.41 9.1 3.47 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.863 -1.375 . . . . 0.0 114.269 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -121.42 1.77 10.18 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.797 1.239 . . . . 0.0 113.772 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.515 -0.378 0 C-N-CA 124.878 1.271 . . . . 0.0 113.741 -170.17 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.446 -0.65 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.843 1.202 . . . . 0.0 112.305 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.85 63.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 173.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.77 -40.69 20.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.948 1.299 . . . . 0.0 111.943 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.61 -23.16 67.17 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.856 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.41 -20.95 65.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.813 1.645 . . . . 0.0 113.631 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.2 mt -96.57 -8.69 31.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.444 1.498 . . . . 0.0 114.12 -167.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -70.38 113.05 7.15 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 120.023 1.283 . . . . 0.0 109.966 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.7 p -86.12 -14.89 42.84 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.19 1.396 . . . . 0.0 114.444 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -109.93 -22.85 11.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -164.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.26 31.5 61.3 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 119.033 0.833 . . . . 0.0 113.914 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -97.85 -7.4 30.48 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.135 1.374 . . . . 0.0 112.075 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.281 5.3 t30 58.84 30.87 20.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.995 2.518 . . . . 0.0 114.644 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.8 pt -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.888 1.675 . . . . 0.0 111.039 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.93 116.35 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 167.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -149.56 177.71 9.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.798 1.639 . . . . 0.0 111.009 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.73 16.48 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.34 -24.99 66.61 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.8 142.09 28.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.826 1.651 . . . . 0.0 113.053 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.83 68.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.873 1.269 . . . . 0.0 113.533 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.33 62.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.943 1.297 . . . . 0.0 113.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.34 -20.69 64.64 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.841 -1.162 . . . . 0.0 113.217 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.97 -28.28 25.92 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.041 1.337 . . . . 0.0 113.894 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.8 p -105.76 -20.01 13.58 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.4 mt -63.73 140.87 58.91 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.709 1.204 . . . . 0.0 111.701 172.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -139.52 169.64 17.38 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.298 2.239 . . . . 0.0 109.345 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -119.21 127.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 124.177 0.991 . . . . 0.0 109.473 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -91.92 109.0 20.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.073 1.349 . . . . 0.0 109.957 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -110.11 99.7 8.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.271 1.828 . . . . 0.0 107.729 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.21 147.43 36.41 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.724 -0.61 . . . . 0.0 111.879 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.74 -42.21 15.44 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.115 0.966 . . . . 0.0 112.436 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -119.0 -7.32 10.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.26 20.4 mp0 60.57 42.07 14.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.712 2.405 . . . . 0.0 114.341 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -76.25 -25.34 54.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.572 1.549 . . . . 0.0 114.218 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.14 19.66 69.13 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 124.189 0.9 . . . . 0.0 113.834 -166.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.8 mt -129.35 112.01 23.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.84 1.656 . . . . 0.0 107.991 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -84.11 144.33 29.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.21 -0.931 . . . . 0.0 112.561 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -125.85 167.4 15.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.326 1.05 . . . . 0.0 111.945 165.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.4 60.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -91.15 -3.34 57.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.487 1.515 . . . . 0.0 113.333 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -93.1 7.75 42.92 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.385 1.474 . . . . 0.0 113.636 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 147.84 26.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.673 1.189 . . . . 0.0 112.01 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -122.87 147.63 46.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.908 2.083 . . . . 0.0 108.795 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.9 p -79.83 157.95 26.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.788 0.835 . . . . 0.0 111.565 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.75 -33.99 75.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.131 -0.981 . . . . 0.0 111.692 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -46.11 68.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.32 -27.69 64.57 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.828 1.194 . . . . 0.0 111.925 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.26 2.94 16.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.958 1.703 . . . . 0.0 113.585 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.77 79.81 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 119.724 1.147 . . . . 0.0 114.044 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.69 134.75 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 118.815 1.308 . . . . 0.0 110.198 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -94.57 -49.41 5.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.245 1.818 . . . . 0.0 111.277 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.2 p -161.55 168.14 24.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.68 1.192 . . . . 0.0 112.781 173.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.0 135.06 48.13 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.838 1.655 . . . . 0.0 110.299 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -89.45 130.22 35.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.408 1.083 . . . . 0.0 111.543 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.79 12.53 18.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -96.25 93.26 6.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 120.675 1.58 . . . . 0.0 112.498 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.06 144.33 29.22 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.421 1.889 . . . . 0.0 112.801 -173.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -131.05 143.18 50.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.488 1.515 . . . . 0.0 111.999 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.64 136.78 47.47 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.111 0.964 . . . . 0.0 112.093 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -134.07 -26.5 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 126.475 1.91 . . . . 0.0 114.112 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 42.57 45.94 4.09 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 127.322 2.249 . . . . 0.0 115.531 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -105.75 124.63 49.87 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.07 1.348 . . . . 0.0 111.548 -169.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -71.76 131.3 42.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 171.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.0 mt -116.31 -23.09 8.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.084 1.354 . . . . 0.0 113.242 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.99 179.52 38.18 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 125.034 1.302 . . . . 0.0 112.806 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -69.56 96.19 0.91 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.627 1.171 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.79 10.75 75.35 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 125.316 1.436 . . . . 0.0 116.079 -170.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -125.02 122.88 38.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 119.398 1.599 . . . . 0.0 112.248 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.2 m -145.59 137.48 25.37 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.664 1.186 . . . . 0.0 111.083 -168.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.8 tp -102.54 115.85 31.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.957 1.703 . . . . 0.0 110.735 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.12 3.57 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.048 0.939 . . . . 0.0 112.902 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -141.97 145.49 34.54 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.831 1.253 . . . . 0.0 111.325 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -139.17 133.12 30.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.042 1.337 . . . . 0.0 111.997 -162.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.25 -157.21 10.69 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 126.376 1.941 . . . . 0.0 111.837 161.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.5 m -134.7 170.18 16.21 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.254 1.022 . . . . 0.0 112.471 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -131.76 152.49 50.9 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.843 0.857 . . . . 0.0 110.701 160.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.0 m -104.82 138.99 40.25 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.448 1.099 . . . . 0.0 110.076 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -99.28 156.22 17.1 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 126.522 1.929 . . . . 0.0 110.764 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.3 p -60.69 -24.74 65.86 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.898 -1.127 . . . . 0.0 113.842 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -74.01 -1.56 20.46 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.851 1.66 . . . . 0.0 115.073 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.14 2.87 73.64 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 126.898 2.189 . . . . 0.0 115.918 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 170.85 8.35 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 119.314 1.557 . . . . 0.0 112.434 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.6 p -126.46 163.06 24.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.9 164.37 30.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.874 1.269 . . . . 0.0 110.809 160.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -87.52 152.41 22.23 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.285 1.034 . . . . 0.0 113.097 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.2 ptm -150.37 150.43 31.41 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.514 1.126 . . . . 0.0 112.055 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.73 177.62 48.08 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 117.013 1.565 . . . . 0.0 117.013 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -74.52 106.41 6.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 109.675 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.18 120.04 35.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.055 -165.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.8 tp -71.42 123.76 23.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.247 1.819 . . . . 0.0 111.01 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.446 -0.644 0 C-N-CA 126.81 2.044 . . . . 0.0 109.064 178.465 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.17 19.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -170.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.3 tp -88.29 114.07 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.833 1.253 . . . . 0.0 110.391 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 161.52 21.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.374 1.47 . . . . 0.0 114.103 -170.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.66 140.8 48.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.237 1.815 . . . . 0.0 111.522 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -84.56 106.31 16.03 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.241 1.016 . . . . 0.0 112.284 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.01 -17.73 36.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -166.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -113.78 -16.29 12.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.119 1.525 . . . . 0.0 115.119 172.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.5 25.94 24.38 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.342 -1.254 . . . . 0.0 114.528 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.21 10.25 30.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 120.038 1.919 . . . . 0.0 115.424 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 160.55 29.41 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 127.145 2.307 . . . . 0.0 112.691 -171.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.92 117.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -101.72 146.7 27.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 122.259 1.028 . . . . 0.0 113.509 -170.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 p -126.07 162.28 25.67 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 111.67 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.77 150.24 19.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.021 1.329 . . . . 0.0 111.123 -175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.406 0 C-N-CA 124.057 0.943 . . . . 0.0 111.901 173.244 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.474 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -154.23 173.65 15.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.911 1.684 . . . . 0.0 112.873 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.14 129.73 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 124.395 1.078 . . . . 0.0 110.384 172.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 156.93 31.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.459 1.104 . . . . 0.0 113.352 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -16.38 6.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.6 -33.02 72.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.663 1.585 . . . . 0.0 112.883 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -125.41 -177.01 3.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.537 1.935 . . . . 0.0 113.34 -170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.39 159.3 26.71 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 120.965 -1.084 . . . . 0.0 113.597 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.49 150.06 47.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.731 1.212 . . . . 0.0 112.674 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -79.75 133.99 36.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.287 1.035 . . . . 0.0 112.264 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.45 155.26 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.462 1.905 . . . . 0.0 111.929 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -151.58 127.46 10.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.185 1.394 . . . . 0.0 110.417 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -72.0 115.57 11.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.886 0.474 . . . . 0.0 110.308 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.45 -0.444 0 C-N-CA 123.696 0.798 . . . . 0.0 112.705 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.76 -10.73 2.36 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -135.69 160.56 38.15 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.16 0.984 . . . . 0.0 113.141 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.68 62.96 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 124.397 0.999 . . . . 0.0 113.886 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.65 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.157 1.783 . . . . 0.0 114.286 172.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -93.37 17.29 11.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.158 1.383 . . . . 0.0 113.336 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.85 151.98 26.33 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 128.087 2.555 . . . . 0.0 110.665 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -85.73 113.42 21.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.238 0.615 . . . . 0.0 109.821 162.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.34 -140.76 3.79 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 125.833 1.682 . . . . 0.0 112.288 -166.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -79.31 -14.94 58.68 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.402 1.481 . . . . 0.0 114.833 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.48 27.35 6.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.793 1.637 . . . . 0.0 114.156 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.449 -0.503 0 C-N-CA 125.425 1.49 . . . . 0.0 112.426 -170.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.26 90.38 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 120.804 -1.185 . . . . 0.0 112.645 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.85 96.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.424 -0.798 . . . . 0.0 112.919 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.96 -37.41 79.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.114 0.966 . . . . 0.0 111.605 172.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.01 67.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -69.99 -8.64 50.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.6 mt -88.13 2.41 52.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -75.08 119.01 18.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 120.474 -1.392 . . . . 0.0 111.019 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -90.39 -16.32 29.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.534 1.533 . . . . 0.0 113.845 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.45 -14.12 14.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -165.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.42 34.6 79.99 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 125.424 1.488 . . . . 0.0 114.774 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -103.21 -3.21 26.06 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.251 1.82 . . . . 0.0 112.462 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 60.51 27.86 17.52 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 127.389 2.276 . . . . 0.0 114.606 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.99 159.16 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.839 1.656 . . . . 0.0 111.934 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -106.55 116.16 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 124.42 1.088 . . . . 0.0 109.429 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.25 175.92 13.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.254 1.821 . . . . 0.0 111.996 -167.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.43 17.52 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.18 -12.13 59.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -79.97 138.26 37.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 119.924 1.238 . . . . 0.0 114.338 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.02 -28.65 69.2 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.14 52.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.5 -36.76 71.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -78.46 -15.1 59.0 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.559 1.072 . . . . 0.0 113.68 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -83.43 -21.26 33.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.416 1.486 . . . . 0.0 112.802 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.68 135.63 39.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.772 0.829 . . . . 0.0 110.818 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -137.86 166.27 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.087 1.755 . . . . 0.0 110.476 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.98 135.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.204 1.402 . . . . 0.0 109.762 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -102.49 125.85 49.34 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.986 1.314 . . . . 0.0 110.406 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -125.25 117.78 24.57 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 125.958 1.703 . . . . 0.0 109.819 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -111.04 105.55 14.34 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 123.659 0.783 . . . . 0.0 111.82 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 53.1 mt -77.58 -10.68 59.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.102 0.961 . . . . 0.0 113.081 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.56 -17.75 12.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 56.26 33.13 21.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.613 1.965 . . . . 0.0 116.195 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -80.1 1.55 27.51 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.822 -1.174 . . . . 0.0 113.465 171.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.85 7.08 58.3 Favored Glycine 0 N--CA 1.445 -0.73 0 O-C-N 120.583 -1.323 . . . . 0.0 115.223 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.74 134.91 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 126.715 2.006 . . . . 0.0 109.143 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.2 p -87.89 128.01 35.36 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 0.0 111.279 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.17 152.43 36.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.253 1.421 . . . . 0.0 110.273 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.41 -32.3 68.52 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -64.83 -22.98 67.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.17 5.83 28.38 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.516 1.526 . . . . 0.0 113.554 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -105.02 126.5 52.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.674 1.59 . . . . 0.0 111.76 -170.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -110.09 143.85 39.55 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.412 1.885 . . . . 0.0 110.285 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -73.93 164.61 26.4 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.679 0.792 . . . . 0.0 110.532 158.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.83 -33.23 75.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.279 -0.888 . . . . 0.0 111.33 169.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.15 -37.58 57.78 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.28 -17.72 61.86 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.7 -10.4 55.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.099 1.36 . . . . 0.0 113.389 167.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 33.41 80.17 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 125.339 1.447 . . . . 0.0 113.876 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.55 137.99 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 C-N-CA 124.318 1.047 . . . . 0.0 109.435 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.86 -43.65 3.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.343 1.457 . . . . 0.0 112.093 -173.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.9 m -153.96 151.69 29.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.885 1.274 . . . . 0.0 113.102 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.76 140.36 48.96 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.774 1.63 . . . . 0.0 110.345 168.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -92.72 134.56 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.896 0.879 . . . . 0.0 111.654 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.1 -5.49 52.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.011 1.324 . . . . 0.0 114.389 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.84 113.39 22.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.243 1.417 . . . . 0.0 111.243 174.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -130.11 168.13 17.26 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.966 1.306 . . . . 0.0 113.099 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -142.02 152.14 43.11 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.839 2.055 . . . . 0.0 111.074 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -80.12 132.4 35.93 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.088 0.955 . . . . 0.0 112.516 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.58 -25.68 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.102 1.361 . . . . 0.0 114.034 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 45.73 42.44 8.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 126.209 1.804 . . . . 0.0 115.463 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -83.43 121.49 27.25 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 126.797 2.039 . . . . 0.0 112.08 -172.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.63 137.2 56.55 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.205 -0.934 . . . . 0.0 111.839 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.4 mt -110.64 -8.76 14.57 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.697 1.599 . . . . 0.0 114.186 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 96.99 164.66 32.54 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 125.433 1.492 . . . . 0.0 113.605 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.68 30.77 9.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.026 1.731 . . . . 0.0 114.114 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.72 90.55 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -94.11 151.38 19.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.878 1.839 . . . . 0.0 112.105 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.4 m -141.93 137.33 31.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.28 1.032 . . . . 0.0 111.474 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 22.6 tp -91.33 113.77 26.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.426 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.24 -57.56 3.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -131.24 135.51 47.42 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.442 1.497 . . . . 0.0 111.454 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -122.18 144.9 48.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 112.009 -172.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.33 -162.87 9.42 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 127.826 2.631 . . . . 0.0 111.248 166.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.8 m -131.69 151.42 51.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.866 -1.373 . . . . 0.0 114.297 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -123.69 159.56 29.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.575 1.15 . . . . 0.0 111.63 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.6 m -118.31 134.77 54.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.982 1.713 . . . . 0.0 110.906 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -96.47 158.76 15.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.873 1.669 . . . . 0.0 111.839 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.7 p -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -77.62 3.75 13.04 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.62 0.79 87.84 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 125.341 1.448 . . . . 0.0 115.807 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.0 p -80.21 159.21 26.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 119.449 1.625 . . . . 0.0 112.611 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.1 p -127.71 147.12 50.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.042 1.337 . . . . 0.0 112.536 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.54 168.54 23.95 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.655 1.982 . . . . 0.0 109.857 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.06 154.19 24.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -171.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.2 ptm -139.6 156.39 46.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.497 1.919 . . . . 0.0 109.727 169.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.33 41.07 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 117.261 1.664 . . . . 0.0 117.261 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.79 107.81 19.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.063 2.145 . . . . 0.0 111.454 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.28 148.09 22.79 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 125.045 1.338 . . . . 0.0 113.962 -171.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.09 120.43 41.27 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.769 2.428 . . . . 0.0 107.509 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.445 -0.699 0 C-N-CA 123.441 0.697 . . . . 0.0 111.679 -171.157 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.92 165.23 34.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.38 1.872 . . . . 0.0 111.15 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tt -98.32 121.27 40.05 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 124.766 1.226 . . . . 0.0 109.122 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.15 146.67 41.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.36 1.464 . . . . 0.0 111.97 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.27 137.1 51.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.382 1.873 . . . . 0.0 110.353 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -77.51 103.46 7.45 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.178 1.391 . . . . 0.0 109.355 166.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -90.18 -34.88 15.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.082 -1.011 . . . . 0.0 113.251 -170.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -84.8 -19.04 33.16 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.217 1.372 . . . . 0.0 113.623 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.07 55.52 2.49 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 119.649 1.113 . . . . 0.0 114.206 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -140.33 10.8 2.33 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.01 147.53 11.67 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 126.378 1.942 . . . . 0.0 113.205 -172.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.96 130.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.373 -1.075 . . . . 0.0 109.216 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -127.5 145.78 50.73 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.8 p -119.73 158.66 26.04 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 124.873 1.269 . . . . 0.0 112.234 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.03 151.44 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 126.016 1.726 . . . . 0.0 111.217 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.442 0 C-N-CA 123.227 0.611 . . . . 0.0 110.19 169.777 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -147.25 172.36 13.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.285 2.234 . . . . 0.0 111.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.7 t -84.62 135.19 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 124.89 1.276 . . . . 0.0 111.716 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 145.34 17.7 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.722 1.609 . . . . 0.0 112.589 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.44 -16.13 63.87 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -80.49 -10.64 59.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.401 1.48 . . . . 0.0 114.093 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -116.08 178.26 4.38 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.292 2.637 . . . . 0.0 111.693 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.25 167.9 37.03 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 120.686 -1.259 . . . . 0.0 115.703 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.53 136.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.221 1.808 . . . . 0.0 111.325 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 tp -77.24 135.58 38.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 170.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.04 153.21 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 119.544 1.065 . . . . 0.0 113.378 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -136.92 158.66 43.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.401 1.881 . . . . 0.0 109.989 164.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.13 113.06 25.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.447 -0.575 0 C-N-CA 125.637 1.575 . . . . 0.0 114.816 -177.354 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 114' ' ' SER . 38.9 mm . . . . . 0 C--O 1.223 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.54 -22.56 8.07 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 125.795 1.638 . . . . 0.0 113.669 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -148.75 151.25 34.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.843 1.257 . . . . 0.0 111.501 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.23 -19.47 52.24 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 124.952 1.263 . . . . 0.0 114.639 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -17.18 33.41 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 170.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.63 -13.73 60.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 120.028 1.285 . . . . 0.0 113.952 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.76 146.0 24.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.85 1.66 . . . . 0.0 109.51 171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -76.75 102.87 6.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.499 -0.751 . . . . 0.0 110.299 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.55 174.41 41.31 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 125.899 1.714 . . . . 0.0 111.045 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.47 -10.99 60.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -164.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -91.81 6.38 46.27 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.065 1.346 . . . . 0.0 113.764 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.45 -0.461 0 O-C-N 120.772 -1.205 . . . . 0.0 114.231 177.257 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.06 71.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.895 -1.128 . . . . 0.0 113.616 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.91 52.35 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.498 1.119 . . . . 0.0 113.585 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.72 -43.31 31.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.04 0.936 . . . . 0.0 111.656 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.45 73.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -70.49 -5.69 30.66 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.97 -18.95 57.9 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.157 0.983 . . . . 0.0 113.46 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -67.82 124.69 24.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.092 0.957 . . . . 0.0 111.219 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.4 p -91.06 -35.59 14.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -110.56 -6.98 14.76 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.655 1.982 . . . . 0.0 114.709 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.95 22.09 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.456 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -101.37 1.91 39.01 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.814 1.646 . . . . 0.0 113.309 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.256 0.9 OUTLIER 67.98 21.63 8.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.663 2.385 . . . . 0.0 115.56 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -133.86 148.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 125.344 1.457 . . . . 0.0 111.912 168.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mm -100.0 103.07 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -135.51 172.68 12.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -166.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.96 -17.51 6.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.137 1.902 . . . . 0.0 116.137 -169.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.31 -26.73 32.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 120.049 1.295 . . . . 0.0 114.323 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -68.2 137.49 54.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 120.417 -1.427 . . . . 0.0 112.273 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.41 70.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.147 -0.971 . . . . 0.0 113.287 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -25.06 60.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 124.665 1.186 . . . . 0.0 114.107 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.66 -25.94 68.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -81.14 -29.52 34.73 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -92.76 -28.98 16.26 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 125.088 1.355 . . . . 0.0 114.241 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.9 148.48 25.45 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.038 1.335 . . . . 0.0 112.206 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -133.96 165.05 25.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.099 1.36 . . . . 0.0 110.836 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.7 t -114.26 131.08 67.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 C-N-CA 125.602 1.561 . . . . 0.0 108.935 167.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -117.59 135.9 53.65 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.162 1.785 . . . . 0.0 112.396 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -140.1 147.3 40.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.605 1.962 . . . . 0.0 107.575 165.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -138.85 114.61 9.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.194 0.998 . . . . 0.0 110.724 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.4 -22.81 58.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.272 0.629 . . . . 0.0 112.156 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -98.64 -11.71 21.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.37 1.468 . . . . 0.0 113.177 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 51.52 42.55 29.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.236 1.415 . . . . 0.0 113.893 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -110.3 17.92 20.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.234 1.414 . . . . 0.0 113.701 -169.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 5.65 80.4 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 168.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.5 mt -133.11 143.57 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 C-N-CA 126.961 2.105 . . . . 0.0 108.884 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 55' ' ' ILE . 77.9 p -97.34 167.97 10.69 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.428 1.491 . . . . 0.0 114.309 -178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -142.15 164.04 31.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.379 2.272 . . . . 0.0 109.463 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.83 89.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -67.58 -23.93 65.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -81.85 -11.06 59.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.311 1.444 . . . . 0.0 112.817 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.48 136.9 52.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.704 2.002 . . . . 0.0 111.849 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -135.9 149.35 48.94 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.607 1.563 . . . . 0.0 110.765 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.6 p -84.35 154.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.375 1.07 . . . . 0.0 111.711 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.04 -31.84 71.47 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.991 0.916 . . . . 0.0 111.366 170.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.05 -49.43 74.61 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.26 1.424 . . . . 0.0 112.654 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -24.8 63.72 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.073 -1.017 . . . . 0.0 112.867 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.84 -2.33 32.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 168.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.72 22.67 76.87 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-N 119.644 1.111 . . . . 0.0 114.278 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.2 mt -83.0 146.85 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 109.351 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -113.59 -41.81 3.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.567 1.547 . . . . 0.0 112.812 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -147.89 146.24 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.7 mt -110.46 122.21 47.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.205 2.202 . . . . 0.0 107.94 162.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -93.47 124.62 37.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 118.797 0.726 . . . . 0.0 111.665 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.7 -8.97 57.99 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.11 117.3 13.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 120.158 1.344 . . . . 0.0 112.644 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -109.63 150.53 28.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 114.56 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -111.32 144.41 40.56 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 128.109 2.564 . . . . 0.0 109.723 164.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -82.44 136.31 34.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.855 0.862 . . . . 0.0 112.282 172.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.6 -26.3 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 36.94 57.07 1.21 Allowed 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.329 2.252 . . . . 0.0 115.714 168.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -120.18 146.87 45.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 126.021 1.728 . . . . 0.0 114.387 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -84.89 120.14 26.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.497 1.519 . . . . 0.0 110.839 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.5 mt -88.8 -7.05 56.89 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.011 1.324 . . . . 0.0 113.724 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.04 144.07 4.45 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 126.359 1.933 . . . . 0.0 111.554 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 46.2 35.13 2.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 115.689 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 12.97 72.44 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.55 123.67 33.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.968 1.384 . . . . 0.0 109.73 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 83.1 m -123.45 122.57 38.58 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -163.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 tp -92.35 117.58 30.05 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.435 1.894 . . . . 0.0 109.632 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.37 -53.48 4.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.147 0.979 . . . . 0.0 112.968 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -130.52 153.74 48.52 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 124.704 1.202 . . . . 0.0 110.748 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -135.87 140.99 44.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.358 1.463 . . . . 0.0 111.645 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.6 -163.14 9.56 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 127.608 2.528 . . . . 0.0 111.303 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -138.52 158.33 44.46 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -121.91 151.96 40.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 126.42 1.888 . . . . 0.0 110.607 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 17.1 m -116.85 136.79 52.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.828 1.651 . . . . 0.0 110.59 -172.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.34 159.14 15.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.259 1.823 . . . . 0.0 113.013 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 75.8 p -66.58 -18.04 65.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -78.0 -8.28 57.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.001 1.32 . . . . 0.0 114.527 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 96.13 0.88 61.43 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 125.971 1.748 . . . . 0.0 115.92 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -83.86 159.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 119.704 1.752 . . . . 0.0 112.926 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.0 p -130.11 153.09 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.265 1.426 . . . . 0.0 112.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.24 162.91 39.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.826 1.25 . . . . 0.0 112.524 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -78.56 152.23 32.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.767 1.627 . . . . 0.0 114.946 -169.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -147.9 160.33 42.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.031 1.732 . . . . 0.0 111.444 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.05 176.75 48.15 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 117.582 1.793 . . . . 0.0 117.582 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -90.11 107.67 19.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.246 2.218 . . . . 0.0 111.404 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -123.7 116.55 23.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.76 1.624 . . . . 0.0 111.124 -162.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 66.0 tp -88.04 116.36 26.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.553 1.941 . . . . 0.0 109.688 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 124.307 1.043 . . . . 0.0 111.68 178.172 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -128.71 169.16 14.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.777 2.431 . . . . 0.0 111.761 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.15 122.28 43.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.38 1.072 . . . . 0.0 111.445 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.48 152.42 40.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.746 1.618 . . . . 0.0 114.162 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -125.78 144.13 50.76 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.205 2.202 . . . . 0.0 111.622 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -87.72 94.81 9.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.48 -14.06 36.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -164.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -102.7 -7.81 21.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 119.979 1.263 . . . . 0.0 113.465 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.52 28.6 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 168.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -122.19 19.57 10.68 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 120.212 2.006 . . . . 0.0 114.037 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.86 151.62 26.97 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.935 2.207 . . . . 0.0 113.639 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.45 130.82 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.395 1.078 . . . . 0.0 109.914 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -125.65 149.12 48.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.819 1.648 . . . . 0.0 112.461 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.8 p -127.82 153.54 46.47 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.326 1.45 . . . . 0.0 112.373 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.86 165.94 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 127.169 2.188 . . . . 0.0 110.697 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 O-C-N 121.55 -0.719 . . . . 0.0 110.781 168.087 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.185 0 N-CA-C 114.952 0.741 . . . . 0.0 114.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -147.34 171.58 15.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.279 1.831 . . . . 0.0 112.306 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.54 135.51 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.067 1.347 . . . . 0.0 110.677 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -55.18 151.61 9.18 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.1 1.36 . . . . 0.0 113.319 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.52 -11.14 59.47 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.98 -5.28 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.617 1.167 . . . . 0.0 113.23 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -122.87 179.78 4.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 129.126 2.97 . . . . 0.0 112.215 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.74 -174.65 34.71 Favored Glycine 0 CA--C 1.524 0.623 0 O-C-N 120.349 -1.469 . . . . 0.0 115.898 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.8 mt -117.62 147.88 42.46 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 126.19 1.796 . . . . 0.0 112.372 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -83.87 129.52 34.93 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.262 1.025 . . . . 0.0 110.677 170.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.9 161.74 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.754 1.622 . . . . 0.0 112.525 -172.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -151.33 128.69 11.3 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 125.123 1.369 . . . . 0.0 111.758 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.24 113.46 15.01 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.757 -0.589 . . . . 0.0 110.091 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.444 -0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.088 -178.586 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.32 -24.09 0.11 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -86.94 143.85 27.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.057 1.343 . . . . 0.0 110.402 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.71 -26.26 64.68 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 120.499 -1.375 . . . . 0.0 114.797 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.17 -9.43 58.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -86.26 6.35 30.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.798 1.239 . . . . 0.0 113.891 -171.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.42 157.29 17.13 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.877 2.071 . . . . 0.0 110.544 164.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -84.52 136.49 33.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 162.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.12 40.69 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.089 0.796 . . . . 0.0 115.089 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.96 -22.7 67.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -91.06 -6.1 54.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.459 1.104 . . . . 0.0 113.301 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.444 -0.763 0 O-C-N 120.745 -1.222 . . . . 0.0 110.685 175.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -34.88 76.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.44 73.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.626 -0.671 . . . . 0.0 111.733 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.38 -33.45 75.88 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.335 1.054 . . . . 0.0 112.93 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.82 -26.95 68.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.72 -17.9 57.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.208 -0.933 . . . . 0.0 112.993 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.22 -13.0 23.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.097 1.759 . . . . 0.0 113.838 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -66.9 123.84 21.31 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.952 0.901 . . . . 0.0 110.434 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.9 p -91.54 -29.43 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -110.53 -6.28 14.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.266 1.426 . . . . 0.0 114.125 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.21 20.13 73.14 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 118.434 -1.203 . . . . 0.0 115.267 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -76.74 -2.72 34.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 119.293 1.547 . . . . 0.0 113.125 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 t30 67.85 23.39 8.44 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.451 1.9 . . . . 0.0 114.199 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.77 149.32 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.172 1.389 . . . . 0.0 111.387 166.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mm -94.37 120.74 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 164.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -146.88 170.64 16.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.271 1.428 . . . . 0.0 110.895 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.9 -17.56 17.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.28 -14.03 57.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -79.37 129.41 34.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.85 -1.156 . . . . 0.0 112.049 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.41 68.32 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.765 -1.21 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.62 -19.4 65.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -56.12 -35.43 67.08 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.741 -1.224 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.21 -20.04 63.97 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t -74.29 -24.99 59.33 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.131 0.973 . . . . 0.0 112.41 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -72.57 140.94 48.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.215 1.006 . . . . 0.0 113.42 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.29 172.33 12.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.321 2.648 . . . . 0.0 109.322 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.65 144.58 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.553 1.541 . . . . 0.0 109.857 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -121.9 125.65 46.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.022 1.329 . . . . 0.0 111.658 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -120.12 100.3 7.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.394 1.478 . . . . 0.0 108.949 172.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 119.63 11.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.723 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.22 -15.91 39.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.254 1.022 . . . . 0.0 113.575 -166.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.91 -7.99 11.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 171.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 59.56 65.2 1.19 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.565 2.346 . . . . 0.0 114.45 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -116.62 -12.78 10.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 168.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.87 11.02 82.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 119.12 0.873 . . . . 0.0 114.55 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.27 125.27 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.259 1.423 . . . . 0.0 107.529 168.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.11 145.98 27.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 119.002 0.819 . . . . 0.0 113.012 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -135.2 155.25 50.99 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 110.479 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.59 72.75 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -167.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.91 -10.13 59.2 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.36 -8.68 58.92 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 112.668 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.3 mt -89.45 152.62 21.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.183 1.393 . . . . 0.0 112.473 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.29 148.41 44.64 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.683 1.993 . . . . 0.0 110.366 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.4 p -71.12 165.2 24.05 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.4 1.08 . . . . 0.0 111.924 164.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.1 -31.17 71.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.58 0.752 . . . . 0.0 111.527 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.77 -42.88 69.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.478 1.111 . . . . 0.0 113.411 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.82 -13.83 61.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -100.29 -1.65 35.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.755 2.022 . . . . 0.0 112.642 170.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.95 34.53 89.16 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 124.915 1.245 . . . . 0.0 114.68 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.12 129.29 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.892 1.677 . . . . 0.0 108.52 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -101.51 -59.67 1.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.161 1.384 . . . . 0.0 111.4 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 p -150.69 157.91 43.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.349 1.059 . . . . 0.0 113.03 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.32 130.02 56.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.751 1.62 . . . . 0.0 109.428 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.65 121.94 32.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.367 1.067 . . . . 0.0 111.167 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.6 -4.57 59.2 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.22 102.66 11.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 119.436 1.016 . . . . 0.0 110.248 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -98.41 157.78 15.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.248 1.419 . . . . 0.0 112.622 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -123.63 142.67 50.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 127.374 2.269 . . . . 0.0 109.129 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.86 145.51 34.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.43 0.559 . . . . 0.0 110.923 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.94 -26.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 C-N-CA 125.093 1.357 . . . . 0.0 113.46 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 32.02 65.15 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 128.006 2.522 . . . . 0.0 114.577 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.48 148.39 42.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.948 1.299 . . . . 0.0 114.178 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -70.86 127.65 33.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 166.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.5 mt -81.91 -41.07 21.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.875 0.87 . . . . 0.0 110.815 171.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 162.04 157.58 9.02 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 126.108 1.813 . . . . 0.0 111.481 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 50.86 32.21 7.01 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.952 1.701 . . . . 0.0 114.732 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.84 2.02 89.77 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 124.96 1.267 . . . . 0.0 115.888 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -84.1 133.39 34.63 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 119.418 1.609 . . . . 0.0 109.433 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 91.2 m -142.43 125.76 16.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.536 -0.728 . . . . 0.0 111.975 -162.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.56 122.95 44.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 109.321 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.88 -47.62 7.49 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 121.432 -0.793 . . . . 0.0 112.817 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -131.52 152.11 51.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.69 1.196 . . . . 0.0 111.55 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -134.7 141.74 46.61 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.742 1.617 . . . . 0.0 110.899 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.34 -157.48 7.17 Favored Glycine 0 C--N 1.341 0.809 0 C-N-CA 128.446 2.927 . . . . 0.0 110.583 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 80.8 p -146.98 166.46 26.74 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -123.75 147.83 47.16 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.0 1.32 . . . . 0.0 110.023 165.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.2 m -95.85 138.43 33.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.467 1.507 . . . . 0.0 110.347 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -101.88 158.54 16.06 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 126.672 1.989 . . . . 0.0 111.669 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.3 p -63.53 -24.76 67.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.496 1.118 . . . . 0.0 113.599 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -78.77 -9.34 59.4 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 99.36 -1.79 57.41 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 126.011 1.767 . . . . 0.0 116.487 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -79.25 167.47 20.9 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 119.559 1.679 . . . . 0.0 112.414 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.8 p -120.54 152.78 37.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.439 1.096 . . . . 0.0 111.71 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.48 154.76 45.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.988 1.315 . . . . 0.0 112.386 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -71.85 154.1 41.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 123.171 1.462 . . . . 0.0 113.918 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -145.81 166.05 27.05 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.435 1.894 . . . . 0.0 110.047 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.56 -178.7 45.59 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.421 1.728 . . . . 0.0 117.421 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -102.78 106.17 16.72 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 128.006 2.523 . . . . 0.0 108.826 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.0 tp -129.13 116.48 19.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.912 1.285 . . . . 0.0 112.852 -158.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -82.32 119.19 23.81 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.45 1.1 . . . . 0.0 109.88 169.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 111.487 177.467 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.81 163.13 39.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.374 1.07 . . . . 0.0 113.628 -161.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.5 118.14 23.57 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 121.595 -0.691 . . . . 0.0 110.545 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.11 152.02 36.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.546 1.938 . . . . 0.0 113.859 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -123.41 140.27 53.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.261 2.224 . . . . 0.0 110.628 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -82.33 101.86 10.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.391 1.476 . . . . 0.0 110.428 169.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.53 -12.47 31.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -167.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -105.95 -14.75 15.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 120.304 1.411 . . . . 0.0 114.132 167.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.79 36.56 7.77 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 119.735 1.152 . . . . 0.0 115.614 170.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -127.33 16.04 7.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 119.275 1.537 . . . . 0.0 114.157 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.49 149.92 24.02 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 126.835 2.16 . . . . 0.0 113.603 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.31 132.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 124.326 1.051 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.47 166.4 25.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.1 p -138.2 162.28 34.67 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.723 1.209 . . . . 0.0 113.987 -165.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.89 163.66 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 127.22 2.208 . . . . 0.0 111.115 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 125.35 1.46 . . . . 0.0 111.791 167.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 114.003 0.361 . . . . 0.0 114.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -129.98 170.42 13.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.883 1.673 . . . . 0.0 112.9 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.63 136.27 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 120.521 -1.362 . . . . 0.0 110.729 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 t -55.94 147.19 20.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.95 -7.56 36.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -85.88 -5.54 59.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.731 1.151 . . . . 0.0 113.559 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -121.16 -173.09 2.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.174 3.39 . . . . 0.0 111.767 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.64 175.63 45.03 Favored Glycine 0 C--N 1.334 0.458 0 O-C-N 120.51 -1.369 . . . . 0.0 116.366 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -106.83 142.61 36.19 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.188 1.395 . . . . 0.0 112.786 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 tp -78.89 130.75 35.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.293 1.037 . . . . 0.0 111.092 171.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -146.92 160.19 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 124.905 1.282 . . . . 0.0 113.053 -166.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -142.77 134.23 26.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.673 1.989 . . . . 0.0 110.18 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.74 125.76 29.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 118.551 0.614 . . . . 0.0 111.063 168.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.514 -0.411 0 C-N-CA 125.857 1.663 . . . . 0.0 114.707 -175.656 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.72 1.29 0.58 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -128.45 148.68 50.74 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 110.6 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -30.91 78.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 -170.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.63 -7.29 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.49 -10.04 59.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 113.117 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.21 149.7 22.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 126.658 1.983 . . . . 0.0 110.622 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -70.6 146.61 49.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.51 -0.744 . . . . 0.0 110.35 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.25 -172.53 40.87 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 121.598 -0.689 . . . . 0.0 112.822 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.59 -32.9 67.63 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -83.07 1.65 39.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.45 -0.435 0 CA-C-N 119.538 1.063 . . . . 0.0 111.19 178.37 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -33.27 74.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.235 -0.916 . . . . 0.0 112.881 172.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.61 92.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 121.3 -0.875 . . . . 0.0 112.009 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.89 -38.07 89.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 123.932 0.893 . . . . 0.0 112.836 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.35 67.72 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.73 -12.34 60.97 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.19 0.996 . . . . 0.0 113.577 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.03 1.81 57.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.238 1.415 . . . . 0.0 113.698 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -74.11 117.02 15.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 120.803 -1.185 . . . . 0.0 109.851 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -75.63 -37.69 59.51 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.245 -0.909 . . . . 0.0 112.579 -172.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.47 -12.56 14.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.94 69.03 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 119.801 1.182 . . . . 0.0 115.091 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -69.5 -3.14 13.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.515 1.658 . . . . 0.0 113.698 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 72.77 21.08 3.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.668 1.987 . . . . 0.0 114.244 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.0 pt -132.23 149.51 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.919 1.287 . . . . 0.0 111.729 164.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -93.96 115.55 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 124.458 1.103 . . . . 0.0 108.1 168.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -147.42 172.52 13.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 125.1 1.36 . . . . 0.0 111.555 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -23.7 51.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 -12.12 60.7 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -80.42 144.41 32.65 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 113.447 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.11 79.94 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -173.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.55 -16.41 60.82 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -60.52 -35.16 75.32 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.463 1.483 . . . . 0.0 114.37 -164.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -71.19 -18.85 62.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 p -79.62 -18.31 51.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.72 -1.238 . . . . 0.0 114.321 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.06 141.75 52.78 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.311 -0.868 . . . . 0.0 112.353 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -139.3 167.37 22.22 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.562 1.945 . . . . 0.0 110.362 168.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -129.24 134.28 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 109.189 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -109.95 123.4 49.56 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.187 1.395 . . . . 0.0 111.493 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -127.4 99.3 5.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.391 1.876 . . . . 0.0 110.764 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.48 135.1 33.9 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.958 1.303 . . . . 0.0 113.93 -168.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.0 mt -90.36 -32.63 16.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -116.01 -4.13 12.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 59.14 38.86 23.57 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.414 1.886 . . . . 0.0 114.614 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -91.04 -6.49 53.79 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 120.331 -1.481 . . . . 0.0 114.383 -176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 90.16 6.53 68.9 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 124.993 1.282 . . . . 0.0 115.783 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.59 146.57 32.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 C-N-CA 126.715 2.006 . . . . 0.0 109.188 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.1 p -92.93 154.84 17.95 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -121.88 159.63 26.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.148 1.779 . . . . 0.0 110.672 166.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.99 -21.17 64.62 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -73.48 -32.62 64.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.626 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -81.36 -8.97 59.82 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.953 1.701 . . . . 0.0 113.333 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.94 126.46 50.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.864 1.266 . . . . 0.0 111.5 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -125.39 149.74 47.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.443 1.897 . . . . 0.0 111.301 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.0 p -86.7 160.76 18.74 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.04 1.336 . . . . 0.0 111.815 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.31 -38.77 81.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.188 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.56 -36.71 84.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 174.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -64.75 -27.48 68.93 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.405 -1.434 . . . . 0.0 111.941 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 74.4 mt -92.97 1.97 57.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.246 1.818 . . . . 0.0 113.3 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.19 15.96 66.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.363 1.459 . . . . 0.0 115.62 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 60.3 mt -78.96 129.13 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 125.806 1.642 . . . . 0.0 109.865 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -100.43 -36.1 9.33 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.526 1.53 . . . . 0.0 112.367 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -160.45 160.83 32.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.907 -1.121 . . . . 0.0 113.456 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.77 133.65 53.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.362 1.865 . . . . 0.0 109.662 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -87.88 136.66 32.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.686 1.195 . . . . 0.0 111.975 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.81 -0.97 38.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.122 1.369 . . . . 0.0 114.016 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.93 75.04 7.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.454 1.101 . . . . 0.0 110.711 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -95.71 165.08 12.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.602 1.161 . . . . 0.0 112.894 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.41 142.39 50.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.489 1.916 . . . . 0.0 110.432 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.05 129.44 36.08 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.986 0.812 . . . . 0.0 109.578 168.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.52 -25.92 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 117.544 -1.217 . . . . 0.0 113.352 -171.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 45.53 45.9 10.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 113.15 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.46 130.81 35.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.576 1.95 . . . . 0.0 111.392 -161.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -78.44 131.54 36.95 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 124.34 1.056 . . . . 0.0 110.128 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.98 5.98 19.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.245 1.418 . . . . 0.0 112.944 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 155.17 31.53 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.4 1.476 . . . . 0.0 114.152 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 53.09 34.06 16.4 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.232 1.813 . . . . 0.0 113.808 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.76 9.23 85.79 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.4 1.476 . . . . 0.0 115.579 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -88.41 136.11 33.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 119.429 1.614 . . . . 0.0 110.528 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.24 129.85 25.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.928 0.491 . . . . 0.0 111.843 -171.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.25 114.8 28.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.297 1.439 . . . . 0.0 110.155 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.85 -60.8 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.044 0.938 . . . . 0.0 112.524 -172.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.005 1.322 . . . . 0.0 112.753 174.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -134.66 138.78 44.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.136 1.774 . . . . 0.0 111.844 -160.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -147.82 -152.99 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.992 2.234 . . . . 0.0 111.507 171.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -141.95 166.53 24.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.127 1.371 . . . . 0.0 113.582 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -123.06 155.73 36.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.084 1.354 . . . . 0.0 110.543 164.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 79.2 m -112.14 140.37 46.89 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.172 1.789 . . . . 0.0 110.883 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -101.56 160.75 14.18 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 125.973 1.709 . . . . 0.0 113.644 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -27.69 66.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -78.06 4.4 12.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.45 0.29 89.35 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.457 1.503 . . . . 0.0 116.048 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.2 p -77.43 158.26 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 119.303 1.552 . . . . 0.0 112.853 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 28.1 p -123.79 155.45 37.93 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.07 166.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.85 161.15 40.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.939 1.296 . . . . 0.0 111.12 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -79.1 153.01 30.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.504 1.122 . . . . 0.0 113.875 -167.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.5 ptm -149.96 158.88 44.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.738 1.615 . . . . 0.0 110.923 172.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.17 175.02 44.1 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 120.891 -1.131 . . . . 0.0 114.994 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.21 109.25 16.33 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.23 1.412 . . . . 0.0 109.131 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.39 130.75 56.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.994 1.718 . . . . 0.0 111.926 -165.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.0 tp -95.91 120.55 36.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.874 1.27 . . . . 0.0 109.987 166.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 123.412 0.685 . . . . 0.0 109.493 170.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.94 166.12 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.029 0.932 . . . . 0.0 113.29 -162.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.46 131.81 46.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.876 1.271 . . . . 0.0 109.868 163.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.53 49.43 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.934 1.294 . . . . 0.0 112.726 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.35 137.32 53.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.241 2.216 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -81.33 103.07 10.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.205 1.802 . . . . 0.0 111.035 171.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.45 -14.42 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -110.97 -8.74 14.46 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.74 24.46 25.51 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 165.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -119.36 13.75 12.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.926 1.29 . . . . 0.0 113.96 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.28 150.41 19.61 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 126.011 1.767 . . . . 0.0 113.249 -174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -71.75 126.49 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 109.154 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -121.02 152.04 39.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.808 1.243 . . . . 0.0 114.306 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 p -138.86 164.57 29.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.106 1.763 . . . . 0.0 112.794 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.03 167.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 127.545 2.338 . . . . 0.0 111.874 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 O-C-N 121.604 -0.685 . . . . 0.0 110.471 153.677 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -153.71 172.08 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.63 1.172 . . . . 0.0 111.893 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.37 150.52 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 t -62.65 155.5 26.04 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.182 0.993 . . . . 0.0 113.208 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -18.33 63.0 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -87.28 -9.84 53.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.438 1.095 . . . . 0.0 113.919 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -115.88 -179.4 3.65 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 127.287 2.235 . . . . 0.0 112.23 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.71 161.44 32.28 Favored Glycine 0 N--CA 1.449 -0.472 0 O-C-N 120.347 -1.47 . . . . 0.0 116.014 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -95.18 143.82 26.29 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.283 1.433 . . . . 0.0 112.275 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.7 tp -82.72 125.33 31.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.766 0.826 . . . . 0.0 110.664 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.93 163.61 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.643 1.177 . . . . 0.0 113.444 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -147.12 138.0 23.74 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -80.61 128.6 33.8 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.448 -0.563 0 C-N-CA 126.284 1.834 . . . . 0.0 114.684 -177.159 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.599 ' N ' ' HG ' ' A' ' 114' ' ' SER . 46.1 mm . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.272 0.558 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -136.2 -25.85 1.18 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -168.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -95.88 146.32 24.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 0.0 111.821 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.0 59.81 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 -6.18 58.51 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 119.391 1.595 . . . . 0.0 114.358 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.73 -3.4 58.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.59 143.82 30.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.129 1.771 . . . . 0.0 110.77 170.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.12 106.13 9.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.009 -1.057 . . . . 0.0 111.862 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.52 -161.26 25.14 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 124.793 1.187 . . . . 0.0 112.368 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.79 8.39 1.98 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -123.13 -8.69 8.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.831 1.652 . . . . 0.0 115.076 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -171.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 118.511 -0.756 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.88 81.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.786 1.176 . . . . 0.0 111.755 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -32.55 73.92 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.12 -41.21 64.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.261 1.025 . . . . 0.0 112.18 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.95 66.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.47 -34.8 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 118.515 0.598 . . . . 0.0 112.169 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -83.12 0.58 44.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 125.123 1.369 . . . . 0.0 114.323 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -79.2 103.44 9.14 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.194 0.997 . . . . 0.0 110.845 173.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -76.52 -25.08 53.77 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.246 1.419 . . . . 0.0 114.113 -166.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -111.25 -13.86 13.91 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 126.42 1.888 . . . . 0.0 114.692 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.28 60.11 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 120.277 1.399 . . . . 0.0 114.668 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -78.51 0.11 27.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 118.97 1.385 . . . . 0.0 113.533 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.263 7.0 t30 73.2 22.16 2.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.863 2.465 . . . . 0.0 114.361 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.0 pt -138.03 155.56 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.334 1.453 . . . . 0.0 111.761 168.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.1 mm -102.22 120.26 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 168.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.36 173.11 13.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.93 1.692 . . . . 0.0 112.15 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.86 60.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.5 -17.61 60.73 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 171.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -80.93 139.51 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.428 1.491 . . . . 0.0 111.953 166.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.84 73.06 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.54 -21.97 63.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.05 -29.33 65.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.899 -1.125 . . . . 0.0 113.269 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.69 -24.13 36.41 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -100.29 -25.53 14.21 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 120.346 1.43 . . . . 0.0 114.266 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.35 147.15 51.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.148 1.379 . . . . 0.0 112.342 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -138.03 158.38 44.43 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.143 1.377 . . . . 0.0 111.967 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.75 132.64 59.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.943 1.297 . . . . 0.0 108.742 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -103.45 117.51 34.62 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 124.681 1.192 . . . . 0.0 110.567 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -115.56 101.64 9.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.747 1.619 . . . . 0.0 110.009 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -94.66 82.33 3.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.525 -172.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -66.36 -18.44 65.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -3.39 47.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.075 0.852 . . . . 0.0 113.113 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 59.07 52.66 6.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.551 1.94 . . . . 0.0 113.994 160.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -120.58 -15.4 8.48 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.99 13.48 83.63 Favored Glycine 0 C--N 1.34 0.751 0 O-C-N 121.003 -1.061 . . . . 0.0 114.545 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.99 126.3 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.608 1.563 . . . . 0.0 109.386 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 55' ' ' ILE . 46.2 t -76.94 139.53 40.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.601 0.76 . . . . 0.0 113.01 -172.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -143.41 149.54 37.79 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.418 1.887 . . . . 0.0 109.927 168.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.6 72.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -67.59 -10.04 48.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 114.076 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -100.01 -2.86 33.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.475 1.51 . . . . 0.0 113.95 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.4 mt -98.11 127.69 44.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.045 1.338 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -125.31 148.23 48.8 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.22 1.808 . . . . 0.0 112.13 -169.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.4 p -75.66 163.03 27.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.301 1.04 . . . . 0.0 112.379 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.54 -40.47 76.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.212 -0.93 . . . . 0.0 111.604 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.16 -27.69 59.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.61 -23.55 62.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 120.429 1.468 . . . . 0.0 113.086 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.03 -1.28 57.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.145 1.778 . . . . 0.0 112.518 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.76 27.28 73.64 Favored Glycine 0 CA--C 1.527 0.805 0 O-C-N 121.153 -0.967 . . . . 0.0 113.336 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.9 mt -80.26 128.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 119.097 1.449 . . . . 0.0 108.697 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.45 -39.55 8.3 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.974 0.91 . . . . 0.0 111.762 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.4 p -158.28 159.14 35.63 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.71 138.57 38.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.242 1.417 . . . . 0.0 110.583 168.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -88.22 137.04 32.68 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.805 0.842 . . . . 0.0 111.642 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.57 12.86 30.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.672 1.189 . . . . 0.0 113.195 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.32 137.51 43.0 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.795 2.038 . . . . 0.0 113.086 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -153.76 167.46 29.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.196 1.798 . . . . 0.0 113.095 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -132.23 151.81 51.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.377 2.271 . . . . 0.0 111.577 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.39 133.2 41.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.208 1.003 . . . . 0.0 112.212 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -133.8 -32.47 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.8 m120 47.78 71.64 0.32 Allowed 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.501 1.92 . . . . 0.0 114.498 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -126.31 119.21 26.77 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.346 1.458 . . . . 0.0 111.725 -175.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.25 142.22 43.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 121.139 -0.975 . . . . 0.0 110.905 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.84 15.4 16.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 126.582 1.953 . . . . 0.0 113.256 -171.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 69.92 178.89 23.73 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 120.75 -1.219 . . . . 0.0 113.358 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 53.57 20.44 2.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.709 2.003 . . . . 0.0 115.186 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.38 1.68 88.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.075 1.322 . . . . 0.0 115.869 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -91.81 135.19 34.1 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.602 1.701 . . . . 0.0 111.649 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 94.3 m -138.5 137.35 37.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.056 -1.028 . . . . 0.0 111.7 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.0 tt -107.66 120.57 42.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.497 1.919 . . . . 0.0 110.28 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.62 -50.26 6.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.62 147.33 48.59 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.899 1.279 . . . . 0.0 111.125 -171.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -133.38 136.14 45.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.725 1.21 . . . . 0.0 111.977 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.26 -154.54 7.27 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 127.956 2.693 . . . . 0.0 110.425 172.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -134.04 167.88 19.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.794 1.237 . . . . 0.0 113.914 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -132.67 156.64 46.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 110.693 158.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 91.5 m -101.62 132.59 47.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.157 1.383 . . . . 0.0 111.024 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -96.97 147.31 24.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.495 1.918 . . . . 0.0 110.548 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.2 p -61.25 -23.98 66.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -72.33 -1.37 15.17 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 97.53 -7.25 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.223 1.868 . . . . 0.0 115.685 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 37.0 p -93.45 176.18 6.48 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.358 1.079 . . . . 0.0 112.657 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -129.38 154.03 47.31 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -138.13 157.82 45.55 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.838 1.255 . . . . 0.0 112.195 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -75.9 144.48 41.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.05 0.94 . . . . 0.0 112.644 -172.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.0 ptm -143.22 161.65 37.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.059 1.344 . . . . 0.0 110.975 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.96 172.99 44.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.11 114.73 23.98 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 127.669 2.388 . . . . 0.0 111.6 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.16 145.01 46.35 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 126.098 1.759 . . . . 0.0 111.494 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 64.0 tp -109.9 124.99 52.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.821 1.648 . . . . 0.0 108.157 163.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.517 -0.303 0 C-N-CA 125.182 1.393 . . . . 0.0 111.607 -175.611 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.86 15.42 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -166.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.57 127.38 53.58 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.976 1.711 . . . . 0.0 110.076 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.38 149.24 40.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.489 1.916 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.04 138.63 52.72 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.583 1.953 . . . . 0.0 110.572 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -80.77 88.22 5.82 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.414 1.886 . . . . 0.0 110.829 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.91 -21.21 44.2 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 120.456 -1.403 . . . . 0.0 114.462 -165.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -101.59 -3.54 28.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 171.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.81 16.08 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 168.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -135.69 18.53 3.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.882 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 155.94 24.33 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 126.716 2.103 . . . . 0.0 113.78 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 132.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.938 1.295 . . . . 0.0 109.276 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.64 154.68 35.82 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.558 1.543 . . . . 0.0 112.931 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.1 p -133.22 173.03 11.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 112.62 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.24 170.61 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 126.378 1.871 . . . . 0.0 111.024 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.409 0 O-C-N 120.998 -1.064 . . . . 0.0 112.164 161.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.836 0 CA-C-O 121.532 0.518 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -143.14 171.57 13.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.821 1.648 . . . . 0.0 112.498 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.6 141.28 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 110.873 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.7 t -64.11 155.51 31.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.612 0.765 . . . . 0.0 112.902 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.68 -28.28 60.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -85.59 -8.14 58.45 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.99 1.716 . . . . 0.0 114.547 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -121.1 -173.21 2.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.928 2.491 . . . . 0.0 112.467 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.06 166.72 38.88 Favored Glycine 0 N--CA 1.447 -0.576 0 O-C-N 121.114 -0.991 . . . . 0.0 115.122 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.83 141.5 28.56 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.971 1.309 . . . . 0.0 112.113 177.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.52 127.39 32.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.643 0.377 . . . . 0.0 109.987 166.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -142.4 160.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 112.626 -169.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -149.56 119.19 6.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.519 1.127 . . . . 0.0 109.222 166.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.08 128.39 36.35 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 170.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -167.659 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -141.14 -23.55 0.75 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -95.19 144.75 25.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 119.854 1.206 . . . . 0.0 110.718 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -23.6 46.9 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 115.151 0.82 . . . . 0.0 115.151 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.4 -15.58 60.92 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -84.53 -7.95 59.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.126 1.37 . . . . 0.0 113.682 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.11 171.37 15.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.313 1.445 . . . . 0.0 110.767 160.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -95.86 107.04 19.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 156.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.49 -179.95 39.53 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.99 1.281 . . . . 0.0 112.292 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -71.94 7.12 1.72 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -175.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -120.83 9.98 10.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 127.191 2.196 . . . . 0.0 113.0 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 N--CA 1.447 -0.601 0 C-N-CA 126.76 2.024 . . . . 0.0 112.948 -175.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.74 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.164 -0.96 . . . . 0.0 112.996 173.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.34 67.73 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 169.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.37 -41.92 17.63 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.081 1.352 . . . . 0.0 112.277 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.22 67.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.285 1.034 . . . . 0.0 113.766 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -56.53 -21.25 24.89 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.934 2.494 . . . . 0.0 114.667 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.33 -8.75 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -65.48 129.05 38.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.153 -0.967 . . . . 0.0 111.167 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -92.2 -33.04 14.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.605 1.962 . . . . 0.0 115.884 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -112.0 -12.63 13.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.391 1.476 . . . . 0.0 114.066 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.59 38.41 24.47 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 119.916 1.235 . . . . 0.0 114.127 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -94.93 1.31 55.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.471 1.108 . . . . 0.0 112.884 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.0 t30 61.69 25.82 15.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 128.353 2.661 . . . . 0.0 114.982 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.32 153.46 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 124.531 1.132 . . . . 0.0 111.792 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -102.9 114.81 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 123.903 0.881 . . . . 0.0 108.639 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -144.57 169.77 17.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.779 1.632 . . . . 0.0 111.8 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -17.66 59.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -168.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.8 -18.07 58.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -70.75 126.18 28.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 119.746 1.157 . . . . 0.0 111.243 167.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.84 68.72 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.773 -1.204 . . . . 0.0 113.927 -172.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.8 65.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.693 -1.254 . . . . 0.0 114.223 -168.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -66.09 -22.45 66.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.659 1.118 . . . . 0.0 113.818 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -85.15 -17.02 38.5 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -75.27 139.32 42.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.549 0.74 . . . . 0.0 111.08 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -135.29 166.21 23.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.617 1.167 . . . . 0.0 111.744 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.0 136.04 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.542 1.137 . . . . 0.0 109.558 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -107.99 106.23 16.38 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.691 1.596 . . . . 0.0 110.619 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.34 100.29 9.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.865 1.266 . . . . 0.0 108.547 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -68.02 131.11 44.87 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.341 0.656 . . . . 0.0 110.568 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.4 -27.15 38.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -116.78 -5.04 11.57 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 56.37 48.55 16.78 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.859 2.063 . . . . 0.0 114.623 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -97.86 -12.5 22.07 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.63 16.44 77.76 Favored Glycine 0 C--N 1.331 0.305 0 O-C-N 120.974 -1.079 . . . . 0.0 113.908 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.98 128.43 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 161.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -86.18 147.9 25.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.819 0.448 . . . . 0.0 111.532 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -134.19 149.89 51.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.329 1.052 . . . . 0.0 110.049 171.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.21 69.83 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.309 1.044 . . . . 0.0 112.392 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.61 -22.5 66.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.5 -1.17 57.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.172 1.389 . . . . 0.0 113.369 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.73 142.52 35.31 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 112.226 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -142.62 151.76 41.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.829 1.652 . . . . 0.0 111.263 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -78.31 161.57 27.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.529 0.732 . . . . 0.0 111.556 168.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.35 -36.67 81.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.835 -1.166 . . . . 0.0 112.468 -170.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 -15.92 60.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.57 -32.81 68.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 120.365 1.439 . . . . 0.0 111.586 166.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.26 -6.53 56.73 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.125 1.37 . . . . 0.0 114.106 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.4 18.89 78.83 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 124.057 0.837 . . . . 0.0 114.739 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -80.03 121.35 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 118.518 1.159 . . . . 0.0 108.608 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -89.43 -49.07 6.91 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.061 0.944 . . . . 0.0 112.188 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 81.3 p -156.72 157.33 34.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.8 mt -106.88 147.01 30.3 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.51 1.924 . . . . 0.0 109.824 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -93.51 138.24 31.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 124.135 0.974 . . . . 0.0 111.98 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.7 mt -94.55 -10.74 31.19 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.273 1.029 . . . . 0.0 113.59 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.26 130.82 34.52 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.443 1.097 . . . . 0.0 111.534 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -148.94 164.62 34.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.736 1.214 . . . . 0.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -128.16 151.19 49.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.268 2.627 . . . . 0.0 110.057 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.85 132.43 40.34 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.934 0.894 . . . . 0.0 111.965 172.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.4 -29.62 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 124.975 1.31 . . . . 0.0 113.385 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 m120 46.12 55.62 7.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.612 1.965 . . . . 0.0 114.47 170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.45 136.44 53.79 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.444 1.898 . . . . 0.0 112.227 -161.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -81.07 136.24 35.92 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.907 1.283 . . . . 0.0 111.273 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.4 15.8 20.14 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.153 1.781 . . . . 0.0 114.228 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 76.62 168.21 27.61 Favored Glycine 0 CA--C 1.527 0.812 0 O-C-N 121.156 -0.965 . . . . 0.0 113.165 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.3 m120 49.18 22.02 0.59 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.581 1.952 . . . . 0.0 116.097 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.77 7.33 84.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 126.1 1.809 . . . . 0.0 115.791 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -85.75 144.74 27.6 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.676 1.738 . . . . 0.0 111.944 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -139.99 130.84 26.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.049 0.939 . . . . 0.0 112.582 -172.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 31.0 tp -104.43 119.24 38.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 126.5 1.92 . . . . 0.0 110.323 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.6 -56.08 3.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.42 1.088 . . . . 0.0 112.19 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -136.74 150.79 48.61 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.943 1.697 . . . . 0.0 111.565 -171.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -139.92 137.9 35.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.849 1.259 . . . . 0.0 112.869 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.1 -152.26 6.0 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 128.203 2.811 . . . . 0.0 110.415 170.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.6 m -138.0 166.63 23.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -137.5 162.06 34.7 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.516 1.126 . . . . 0.0 110.953 166.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 93.6 m -120.66 138.64 53.83 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.255 1.822 . . . . 0.0 111.861 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -98.21 159.74 14.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.15 1.38 . . . . 0.0 111.923 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.8 p -65.28 -17.5 64.56 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -82.42 -4.86 58.14 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 170.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.58 69.8 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 125.621 1.581 . . . . 0.0 115.109 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 67.7 p -73.79 152.65 40.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.757 1.779 . . . . 0.0 111.834 173.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.2 p -126.48 153.44 45.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.647 1.179 . . . . 0.0 111.925 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.42 168.48 25.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.188 1.395 . . . . 0.0 111.461 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -74.62 155.46 37.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.79 158.56 43.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.091 0.957 . . . . 0.0 109.869 158.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.22 166.86 39.99 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 117.168 1.627 . . . . 0.0 117.168 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -84.53 108.89 17.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.347 2.259 . . . . 0.0 110.712 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.48 137.59 54.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.549 1.54 . . . . 0.0 110.754 -166.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -113.42 107.09 15.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.241 1.816 . . . . 0.0 108.958 173.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.326 -0.447 0 C-N-CA 123.162 0.585 . . . . 0.0 111.112 177.193 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.8 173.01 14.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 127.609 2.364 . . . . 0.0 112.306 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 tp -121.49 127.32 50.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.609 1.564 . . . . 0.0 107.953 164.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.06 153.9 51.89 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.8 1.24 . . . . 0.0 113.572 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -113.07 139.3 48.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.103 1.761 . . . . 0.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.38 106.08 13.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.932 0.893 . . . . 0.0 109.362 166.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.22 -29.68 18.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -97.3 -11.5 24.01 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 114.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.34 40.95 5.62 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 170.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -137.08 20.19 3.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 113.789 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 154.32 30.28 Favored Glycine 0 C--N 1.341 0.819 0 C-N-CA 126.166 1.841 . . . . 0.0 112.619 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mt -71.52 130.52 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 121.425 -1.044 . . . . 0.0 109.509 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -119.95 151.19 39.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.379 1.071 . . . . 0.0 113.073 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.6 p -140.8 158.06 44.5 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.523 1.529 . . . . 0.0 112.29 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 m -140.49 155.27 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.992 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 122.955 0.502 . . . . 0.0 110.824 165.097 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 120.797 0.109 . . . . 0.0 113.097 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -153.76 171.67 18.53 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.829 1.251 . . . . 0.0 112.047 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.77 137.22 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 125.92 1.688 . . . . 0.0 110.577 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -61.4 156.99 17.78 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 113.743 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -9.14 36.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -172.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.72 -13.72 31.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.72 1.608 . . . . 0.0 113.539 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -119.13 176.42 5.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.551 2.341 . . . . 0.0 111.798 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.04 159.77 30.26 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.334 -1.479 . . . . 0.0 116.217 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -88.3 142.07 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.023 1.729 . . . . 0.0 111.31 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.8 tp -80.34 128.49 33.61 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.284 1.033 . . . . 0.0 109.997 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 m -147.48 160.8 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.325 1.45 . . . . 0.0 112.725 -167.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -144.7 133.75 22.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.068 1.747 . . . . 0.0 111.499 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -79.05 126.33 30.56 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.006 0.523 . . . . 0.0 110.644 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 124.799 1.239 . . . . 0.0 114.102 -176.846 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.77 3.5 0.47 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -135.22 144.49 46.95 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.924 1.29 . . . . 0.0 110.71 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.04 59.93 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -15.87 63.36 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.6 -3.95 58.14 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.601 1.561 . . . . 0.0 113.676 -175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.49 161.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.358 1.863 . . . . 0.0 110.425 167.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.28 141.22 29.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.737 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.88 -158.13 28.69 Favored Glycine 0 C--N 1.342 0.865 0 O-C-N 121.703 -0.623 . . . . 0.0 114.553 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.31 -19.2 63.88 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.21 -16.24 47.27 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.993 -1.067 . . . . 0.0 112.45 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 CA--C 1.515 -0.403 0 CA-C-N 119.788 1.176 . . . . 0.0 111.874 -177.5 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 123.083 1.42 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.68 69.23 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -161.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.65 66.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.82 -27.37 21.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.768 0.827 . . . . 0.0 112.621 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.48 66.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.93 -17.41 63.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.07 -12.75 19.42 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.44 -1.413 . . . . 0.0 114.672 -167.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.57 127.7 33.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.187 0.995 . . . . 0.0 110.992 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.2 p -82.03 -44.92 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.319 1.048 . . . . 0.0 113.631 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -108.76 -8.87 15.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 125.585 1.554 . . . . 0.0 114.276 -166.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.56 28.43 57.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 118.889 -0.951 . . . . 0.0 114.574 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -81.73 -3.21 53.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.059 1.43 . . . . 0.0 112.47 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.4 t30 68.82 22.8 7.11 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.666 1.986 . . . . 0.0 114.877 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.64 150.52 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 111.844 170.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.7 mm -98.98 110.01 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 171.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -139.24 172.66 12.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.053 0.941 . . . . 0.0 112.109 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.65 -16.05 9.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.87 -25.35 43.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.54 140.32 48.07 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 119.98 1.264 . . . . 0.0 112.072 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.98 73.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 120.863 -1.148 . . . . 0.0 112.869 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.11 -23.9 56.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.52 -30.87 71.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.331 0.969 . . . . 0.0 112.384 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -82.65 -15.28 52.64 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 123.822 0.849 . . . . 0.0 113.243 173.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -93.64 -32.09 14.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.829 1.252 . . . . 0.0 113.55 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.32 150.36 41.93 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.473 1.109 . . . . 0.0 112.251 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -135.01 166.42 23.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.282 1.433 . . . . 0.0 110.726 172.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.6 129.15 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.069 1.348 . . . . 0.0 109.329 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -105.97 123.45 48.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.392 1.077 . . . . 0.0 111.651 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -124.05 99.19 6.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.885 2.074 . . . . 0.0 109.379 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.61 125.55 34.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.145 0.978 . . . . 0.0 111.395 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.64 -14.78 41.68 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -172.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -117.53 -11.88 10.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.05 1.34 . . . . 0.0 114.55 171.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 54.33 52.5 12.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 127.475 2.31 . . . . 0.0 113.786 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -107.69 7.75 28.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.21 1.404 . . . . 0.0 113.604 -174.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.71 6.7 88.39 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.345 -1.253 . . . . 0.0 115.739 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.5 mt -119.37 128.84 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.981 1.391 . . . . 0.0 109.052 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -101.03 157.46 16.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.021 1.328 . . . . 0.0 112.766 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -143.74 158.5 43.64 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 126.442 1.897 . . . . 0.0 109.524 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.22 70.01 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.596 -1.315 . . . . 0.0 113.276 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -69.5 -17.78 63.63 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 171.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -96.22 -11.74 25.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.556 1.142 . . . . 0.0 113.501 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -90.03 150.4 22.12 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 0.0 111.212 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -135.22 152.75 51.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.659 1.984 . . . . 0.0 110.371 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.8 p -82.71 158.55 22.86 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.386 1.475 . . . . 0.0 111.174 163.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.84 -37.35 84.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.1 -1.0 . . . . 0.0 111.392 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.44 -46.43 88.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.89 1.676 . . . . 0.0 113.655 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.72 -20.45 61.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -80.85 7.88 9.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.354 . . . . 0.0 112.199 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.47 70.65 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.06 -1.025 . . . . 0.0 113.819 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 49.4 mt -78.02 143.44 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.172 1.486 . . . . 0.0 108.885 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -121.4 -35.6 3.23 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.779 1.232 . . . . 0.0 111.843 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -146.22 158.09 43.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.275 1.43 . . . . 0.0 112.537 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.56 144.3 51.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 127.033 2.133 . . . . 0.0 109.752 169.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -77.79 148.27 34.86 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.42 0.628 . . . . 0.0 112.565 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.27 -10.64 27.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.386 1.075 . . . . 0.0 111.674 162.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.7 131.51 35.2 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.67 1.188 . . . . 0.0 113.025 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.23 173.06 8.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 127.204 2.202 . . . . 0.0 112.621 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -140.77 141.21 34.85 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.339 2.256 . . . . 0.0 109.864 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -78.9 123.66 27.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.172 0.896 . . . . 0.0 111.58 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 -30.23 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 52.82 52.81 13.21 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 124.906 1.282 . . . . 0.0 114.313 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.81 153.84 22.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.757 2.023 . . . . 0.0 114.102 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -96.21 133.83 40.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.096 1.358 . . . . 0.0 113.123 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.49 2.3 17.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.882 1.273 . . . . 0.0 113.453 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.45 165.39 39.37 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 114.343 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 50.02 27.36 2.43 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 115.15 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.81 -0.18 72.95 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 125.759 1.647 . . . . 0.0 115.592 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -87.94 137.5 32.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.513 1.657 . . . . 0.0 112.411 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.9 m -131.4 128.37 39.42 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.674 1.19 . . . . 0.0 112.168 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.1 105.27 17.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.369 1.868 . . . . 0.0 109.2 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.35 9.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.371 -0.831 . . . . 0.0 112.492 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -137.43 146.48 44.43 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.899 1.28 . . . . 0.0 112.045 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.76 137.53 54.89 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 126.216 1.807 . . . . 0.0 111.133 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.51 -164.17 11.06 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 126.647 2.07 . . . . 0.0 111.601 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.4 t -138.78 151.08 46.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.222 -1.163 . . . . 0.0 113.241 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -123.93 157.18 34.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.769 1.228 . . . . 0.0 112.317 164.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.7 m -121.24 130.32 53.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.603 1.561 . . . . 0.0 110.192 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 161' ' ' ALA . 87.4 mttt -90.55 164.2 14.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.71 1.204 . . . . 0.0 112.271 -177.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.4 p -61.66 -25.99 67.73 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -77.43 9.21 3.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.026 1.33 . . . . 0.0 114.202 171.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.66 -11.01 58.08 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.508 2.004 . . . . 0.0 115.518 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 36.6 p -85.39 155.72 21.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.173 1.389 . . . . 0.0 113.438 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.6 p -105.55 155.71 18.93 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.176 1.391 . . . . 0.0 113.422 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.4 ' HB2' ' HE3' ' A' ' 155' ' ' LYS . . . -149.95 158.94 44.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 112.076 -169.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -89.61 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -166.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.48 160.74 41.71 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.902 1.281 . . . . 0.0 112.108 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.78 167.91 40.33 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 117.561 1.784 . . . . 0.0 117.561 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -92.51 109.35 20.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.429 2.291 . . . . 0.0 110.248 -172.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.59 113.61 27.23 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.393 1.477 . . . . 0.0 111.192 -172.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 55.9 tp -83.74 106.17 15.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 165.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.444 -0.772 0 C-N-CA 123.853 0.861 . . . . 0.0 110.322 -176.743 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.34 168.38 24.96 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 122.732 0.413 . . . . 0.0 111.907 -176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -102.12 125.53 48.83 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 107.851 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.74 144.67 43.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.178 1.391 . . . . 0.0 111.37 -176.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -114.43 135.42 54.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.32 1.848 . . . . 0.0 110.817 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -76.42 105.85 7.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.002 1.321 . . . . 0.0 109.309 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.77 -27.15 20.2 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -171.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -105.38 -5.87 20.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.21 31.15 9.28 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 117.056 1.583 . . . . 0.0 117.056 166.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -125.84 20.59 7.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.278 1.539 . . . . 0.0 113.693 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.12 160.32 35.94 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 126.581 2.039 . . . . 0.0 113.36 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.59 131.13 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.854 1.262 . . . . 0.0 109.277 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -129.82 150.36 51.15 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.214 1.405 . . . . 0.0 112.247 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -135.15 156.57 48.77 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.98 132.81 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 127.502 2.321 . . . . 0.0 109.844 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 -176.188 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.863 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.26 172.44 12.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.217 1.407 . . . . 0.0 112.919 -163.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.1 m -72.06 152.7 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 120.571 -1.33 . . . . 0.0 112.797 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -57.26 155.56 8.68 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.454 1.502 . . . . 0.0 112.243 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -19.48 57.44 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.34 -24.28 34.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.47 176.58 5.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.42 1.888 . . . . 0.0 112.756 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.78 33.26 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 121.432 -0.793 . . . . 0.0 114.71 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.16 136.5 48.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.186 1.395 . . . . 0.0 111.289 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.2 127.67 32.62 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.341 1.056 . . . . 0.0 110.253 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -149.33 166.27 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.064 1.346 . . . . 0.0 111.763 -168.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -149.65 144.1 25.93 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.794 0.838 . . . . 0.0 111.757 161.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -76.92 120.3 21.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.353 0.661 . . . . 0.0 111.365 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.445 -0.714 0 C-N-CA 125.796 1.639 . . . . 0.0 113.896 -176.447 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -121.04 -6.98 9.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -171.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -131.36 147.06 52.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.631 1.172 . . . . 0.0 112.216 173.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.99 57.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.22 -17.44 61.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.766 1.283 . . . . 0.0 114.278 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.78 -17.02 61.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.46 1.104 . . . . 0.0 112.789 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.65 144.04 25.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.366 1.466 . . . . 0.0 110.248 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.2 112.39 10.3 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.524 0.329 . . . . 0.0 110.746 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.29 -172.63 38.3 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.682 1.134 . . . . 0.0 112.532 -172.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.07 -10.02 45.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -118.11 15.36 14.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.854 1.661 . . . . 0.0 114.124 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.557 0 C-N-CA 124.928 1.291 . . . . 0.0 113.732 -175.576 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 p90 . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.3 86.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.791 0.723 . . . . 0.0 112.678 169.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.9 93.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.359 1.064 . . . . 0.0 111.895 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.29 -36.89 84.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.281 -0.887 . . . . 0.0 112.562 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.94 -16.66 64.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -73.66 -27.95 61.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.471 1.032 . . . . 0.0 112.172 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.48 -14.45 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.285 1.434 . . . . 0.0 113.83 -177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.37 113.13 3.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.297 1.039 . . . . 0.0 112.178 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -73.77 -17.36 61.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -110.38 -23.65 11.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -165.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.22 35.02 35.18 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 118.813 0.733 . . . . 0.0 113.95 -168.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -105.28 -12.48 16.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.188 1.395 . . . . 0.0 113.135 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.63 26.83 15.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 127.396 2.278 . . . . 0.0 114.253 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.4 pt -129.02 153.37 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.336 1.454 . . . . 0.0 111.093 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.52 120.48 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 124.217 1.007 . . . . 0.0 109.681 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -149.65 175.5 11.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.477 1.511 . . . . 0.0 111.586 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 -17.85 14.24 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -173.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.27 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 120.854 -1.154 . . . . 0.0 113.056 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.8 123.47 27.74 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.813 1.245 . . . . 0.0 111.335 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.93 -30.61 66.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.185 -0.947 . . . . 0.0 112.966 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.67 58.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.98 -29.39 67.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 119.986 1.266 . . . . 0.0 112.573 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -78.26 -21.36 49.97 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.875 1.27 . . . . 0.0 114.219 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.4 p -115.15 -14.1 11.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.636 1.575 . . . . 0.0 114.887 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.41 147.23 53.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.633 1.173 . . . . 0.0 110.909 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -137.76 159.65 41.42 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.639 1.176 . . . . 0.0 110.689 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.88 126.34 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 109.233 170.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -99.96 127.42 46.15 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.909 1.284 . . . . 0.0 110.528 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -125.52 100.65 6.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.885 1.274 . . . . 0.0 109.175 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.4 131.88 44.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.147 -0.971 . . . . 0.0 111.35 -174.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.89 -17.46 37.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -116.08 1.15 13.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.663 1.185 . . . . 0.0 113.967 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 58.53 23.89 11.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 127.302 2.241 . . . . 0.0 114.624 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -77.19 -17.94 58.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.188 -1.57 . . . . 0.0 112.935 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.4 23.49 75.45 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.692 -1.06 . . . . 0.0 113.029 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -104.78 116.29 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 164.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 t -81.46 132.31 35.31 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.975 0.51 . . . . 0.0 112.276 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.35 150.51 37.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.408 1.483 . . . . 0.0 111.271 165.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -166.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -77.22 -6.25 52.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.73 -9.25 59.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.571 1.149 . . . . 0.0 113.896 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.51 145.19 29.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.262 1.425 . . . . 0.0 112.842 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.48 163.99 25.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.591 2.356 . . . . 0.0 113.219 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -77.25 165.93 23.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.062 1.345 . . . . 0.0 112.616 168.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.54 -36.64 79.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.209 1.003 . . . . 0.0 112.039 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.42 -31.27 62.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.56 -20.66 56.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.966 1.257 . . . . 0.0 113.087 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.09 2.79 37.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.533 1.533 . . . . 0.0 113.132 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.83 27.37 73.27 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 118.761 0.71 . . . . 0.0 114.394 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.1 mt -83.57 126.51 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 118.402 1.101 . . . . 0.0 109.856 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -90.41 -50.56 5.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.526 1.53 . . . . 0.0 110.925 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.2 p -157.59 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.612 1.165 . . . . 0.0 111.908 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.45 124.94 39.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.989 1.315 . . . . 0.0 110.966 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -94.29 113.9 25.89 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.495 1.118 . . . . 0.0 112.29 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 mt -73.65 0.13 13.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.242 1.417 . . . . 0.0 114.817 -174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.27 116.98 25.72 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 120.454 -1.404 . . . . 0.0 112.833 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -102.17 170.26 8.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.871 1.668 . . . . 0.0 114.233 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -121.92 147.22 46.3 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.227 1.811 . . . . 0.0 108.713 151.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.22 136.94 52.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.544 0.338 . . . . 0.0 111.721 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.78 -27.35 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 125.208 1.403 . . . . 0.0 114.232 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.4 m120 46.72 49.3 14.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.578 1.951 . . . . 0.0 113.998 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -101.23 122.49 43.75 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.588 1.955 . . . . 0.0 112.553 -166.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -66.35 127.66 33.12 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.664 -0.648 . . . . 0.0 110.836 168.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.35 -26.42 11.5 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.824 0.85 . . . . 0.0 112.623 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 178.61 -172.09 44.4 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 125.546 1.546 . . . . 0.0 112.167 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -57.8 108.26 0.55 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.597 -0.943 . . . . 0.0 112.427 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.37 69.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.362 -1.243 . . . . 0.0 116.133 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -113.87 121.91 45.4 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 119.613 1.707 . . . . 0.0 111.647 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.9 m -142.43 131.47 23.14 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.624 1.57 . . . . 0.0 111.179 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.93 112.38 24.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.431 1.893 . . . . 0.0 110.292 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.96 -53.17 7.31 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.676 -0.64 . . . . 0.0 112.581 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -133.68 142.71 48.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.255 1.422 . . . . 0.0 110.089 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -141.87 141.21 33.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.705 -168.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.01 -150.13 5.25 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 127.677 2.56 . . . . 0.0 110.501 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 67.6 m -141.28 164.53 30.01 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -123.88 160.12 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.802 2.041 . . . . 0.0 109.947 167.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.4 m -106.61 134.51 49.64 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.086 1.754 . . . . 0.0 111.19 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -92.64 161.46 14.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.313 1.845 . . . . 0.0 111.325 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 37.3 p -63.32 -17.99 63.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -79.64 0.09 31.64 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 125.831 1.652 . . . . 0.0 114.785 169.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.85 -2.71 78.95 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 126.66 2.076 . . . . 0.0 115.512 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.0 p -80.18 160.47 25.64 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 119.63 1.715 . . . . 0.0 110.906 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 69.9 p -117.73 154.55 31.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.514 -0.741 . . . . 0.0 112.473 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.49 157.04 45.65 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.595 1.158 . . . . 0.0 111.124 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.82 150.7 36.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.636 0.775 . . . . 0.0 112.79 -168.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -147.2 159.59 43.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.846 1.258 . . . . 0.0 111.203 168.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.75 173.32 44.71 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.02 123.28 27.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.035 1.734 . . . . 0.0 111.443 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 55.1 tp -129.45 134.52 47.87 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.892 1.677 . . . . 0.0 112.656 -167.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.91 127.63 33.37 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.678 1.591 . . . . 0.0 110.189 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.447 -0.62 0 C-N-CA 125.315 1.446 . . . . 0.0 110.092 171.557 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 20.9 p30 . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.59 155.96 24.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.473 1.909 . . . . 0.0 112.741 168.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.8 mt -83.71 139.37 32.8 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.08 1.352 . . . . 0.0 112.808 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.49 160.25 40.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.78 1.632 . . . . 0.0 113.861 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mp -126.59 146.92 49.97 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.923 1.289 . . . . 0.0 113.066 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -85.1 103.43 14.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.097 1.359 . . . . 0.0 109.882 167.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.05 -25.23 32.31 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -166.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.36 -5.81 12.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.38 35.84 8.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -126.18 16.71 7.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.33 1.565 . . . . 0.0 114.74 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.49 162.24 31.47 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 125.689 1.614 . . . . 0.0 112.447 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.78 106.03 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -89.32 129.01 35.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.934 0.894 . . . . 0.0 111.287 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -129.63 148.2 51.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.848 1.259 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.334 2.254 . . . . 0.0 111.419 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.714 . . . . 0.0 111.495 170.623 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -121.77 159.77 25.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.427 1.113 . . . . 0.0 111.434 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.7 128.31 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 122.032 0.92 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 t -61.06 161.7 8.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.289 1.836 . . . . 0.0 112.243 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.74 -9.36 1.71 Allowed 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.74 -27.59 55.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 126.012 1.725 . . . . 0.0 114.053 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -128.83 -172.79 2.8 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.848 2.459 . . . . 0.0 113.013 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.59 37.65 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -95.73 144.74 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.897 2.079 . . . . 0.0 111.677 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.69 127.12 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 119.345 0.975 . . . . 0.0 111.051 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.87 164.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 112.086 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -124.72 114.3 19.11 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.57 1.548 . . . . 0.0 109.108 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -88.19 96.34 10.51 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.001 0.819 . . . . 0.0 109.957 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.447 -0.595 0 C-N-CA 126.07 1.748 . . . . 0.0 114.153 -165.189 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -136.63 -14.42 1.67 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.197 1.399 . . . . 0.0 113.279 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -117.23 146.92 42.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.543 1.137 . . . . 0.0 111.502 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.25 -14.18 73.92 Favored Glycine 0 CA--C 1.525 0.701 0 O-C-N 120.855 -1.153 . . . . 0.0 115.62 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.33 -9.24 59.19 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 118.501 1.15 . . . . 0.0 113.859 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.3 -8.17 55.3 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.73 -1.231 . . . . 0.0 113.683 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -97.63 160.84 14.07 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.398 1.479 . . . . 0.0 111.749 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -107.31 133.1 52.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.131 0.972 . . . . 0.0 110.316 163.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.17 -178.99 40.53 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 125.482 1.515 . . . . 0.0 111.707 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.87 -1.57 20.08 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -123.36 3.74 9.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 125.517 1.527 . . . . 0.0 114.723 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 0.0 112.937 -178.266 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.35 59.1 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 112.299 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.78 81.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.767 1.227 . . . . 0.0 112.08 171.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.3 -39.7 71.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.077 0.951 . . . . 0.0 112.026 170.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.6 66.68 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.83 -24.14 65.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.811 1.187 . . . . 0.0 113.066 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.8 -13.0 60.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.47 1.108 . . . . 0.0 113.666 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.73 127.61 33.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 120.26 1.391 . . . . 0.0 112.303 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -90.67 -19.31 23.76 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.846 1.658 . . . . 0.0 115.287 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -110.92 -23.97 10.67 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -160.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.66 26.69 58.41 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.269 -0.895 . . . . 0.0 114.66 -165.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -102.34 8.49 40.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.644 1.722 . . . . 0.0 114.373 -174.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.0 t30 59.08 11.91 2.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.918 2.487 . . . . 0.0 116.281 -174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.7 pt -129.24 149.57 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 119.449 1.022 . . . . 0.0 113.547 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -98.59 115.72 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.781 1.633 . . . . 0.0 108.018 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.47 175.58 13.42 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 126.068 1.747 . . . . 0.0 112.131 -170.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.27 -17.77 8.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -13.8 61.9 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.84 1.2 . . . . 0.0 113.784 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -94.77 132.27 39.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.376 1.871 . . . . 0.0 112.398 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.22 -25.24 66.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.18 -16.84 55.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.14 -35.03 74.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -165.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -70.51 -19.9 62.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.818 -1.176 . . . . 0.0 113.963 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 p -79.43 -13.92 59.27 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.06 141.84 49.25 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.936 0.894 . . . . 0.0 111.902 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -141.31 162.53 35.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.944 1.698 . . . . 0.0 109.976 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.07 130.31 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.725 1.21 . . . . 0.0 109.021 165.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -99.62 107.7 19.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.936 0.894 . . . . 0.0 111.148 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -105.01 105.11 15.0 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.0 108.615 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -94.62 110.32 22.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.425 -0.797 . . . . 0.0 110.471 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.47 HD22 ' H ' ' A' ' 108' ' ' LEU . 2.7 mm? -61.43 -25.79 67.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.936 0.894 . . . . 0.0 112.974 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -115.58 -4.48 12.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.829 1.652 . . . . 0.0 115.345 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 53.48 28.51 7.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 116.798 2.148 . . . . 0.0 116.798 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.17 -1.7 30.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.92 -6.1 72.36 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 120.012 -1.68 . . . . 0.0 115.285 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.17 139.76 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.829 1.652 . . . . 0.0 108.942 171.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -96.37 151.67 19.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.341 1.056 . . . . 0.0 112.572 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -136.43 157.88 45.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.964 1.705 . . . . 0.0 110.095 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.74 71.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -169.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.92 -9.15 58.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.24 -23.99 15.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.883 1.273 . . . . 0.0 112.924 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.36 131.14 34.45 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.4 0.68 . . . . 0.0 109.714 169.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -126.27 156.69 39.93 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.933 2.493 . . . . 0.0 111.216 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.0 p -73.68 158.71 34.2 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.626 -0.671 . . . . 0.0 111.665 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.07 -42.42 80.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.119 0.568 . . . . 0.0 110.327 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.06 -31.85 71.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.65 -18.24 61.58 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 120.402 1.455 . . . . 0.0 113.613 172.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.15 10.69 30.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 111.998 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.69 17.16 77.97 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-O 118.564 -1.131 . . . . 0.0 114.767 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.23 131.95 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-N 119.432 1.616 . . . . 0.0 109.575 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -101.96 -44.1 5.59 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 112.916 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.4 p -159.29 156.81 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.711 1.205 . . . . 0.0 111.992 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.66 132.69 54.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 109.456 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.67 145.09 24.81 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.127 0.971 . . . . 0.0 112.665 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.86 1.6 53.17 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.62 126.54 31.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 120.437 -1.414 . . . . 0.0 112.307 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -122.73 152.78 40.26 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.809 1.243 . . . . 0.0 113.747 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -139.15 126.78 21.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 127.685 2.394 . . . . 0.0 109.958 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -75.3 135.6 40.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.829 1.195 . . . . 0.0 112.194 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.8 -32.14 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 C-N-CA 124.576 1.15 . . . . 0.0 113.43 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.63 39.3 28.02 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.987 2.115 . . . . 0.0 116.094 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -76.17 129.54 36.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.631 1.172 . . . . 0.0 112.205 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -64.28 127.86 33.3 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.014 0.926 . . . . 0.0 111.483 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 mt -108.5 0.32 20.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.542 1.137 . . . . 0.0 113.092 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.77 163.1 36.15 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 125.343 1.449 . . . . 0.0 114.359 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m120 57.17 22.48 7.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.63 4.39 76.3 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-O 118.277 -1.29 . . . . 0.0 115.626 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -91.22 144.93 25.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.94 1.87 . . . . 0.0 111.203 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 56.4 m -141.75 127.69 19.45 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 125.654 1.581 . . . . 0.0 111.138 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.43 98.99 4.73 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 168.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.16 -55.47 9.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 112.218 -174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -140.56 146.14 37.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.323 1.449 . . . . 0.0 111.893 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.16 141.96 47.94 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.622 1.569 . . . . 0.0 111.964 -166.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.41 -165.87 10.42 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.52 2.486 . . . . 0.0 111.14 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 96.9 p -140.68 161.05 38.68 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 29.3 p90 -130.36 149.83 51.87 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.822 1.249 . . . . 0.0 111.573 168.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.7 m -95.23 134.8 37.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.496 1.518 . . . . 0.0 109.706 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -87.94 162.16 17.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.814 1.246 . . . . 0.0 111.848 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -59.83 -23.77 63.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 114.361 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -92.43 13.77 18.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 114.141 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.93 -9.54 30.87 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 126.159 1.838 . . . . 0.0 116.309 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.8 p -71.03 154.81 41.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.64 1.72 . . . . 0.0 111.97 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 16.8 m -106.62 139.04 41.69 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.532 1.133 . . . . 0.0 110.75 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -136.6 165.01 26.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 124.842 1.257 . . . . 0.0 112.399 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -87.79 144.4 26.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.414 1.486 . . . . 0.0 113.749 -163.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.8 ptm -145.35 167.08 23.76 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.808 1.243 . . . . 0.0 111.282 164.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -166.37 168.3 39.9 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-O 122.05 0.805 . . . . 0.0 114.701 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -98.78 108.18 20.8 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 126.302 1.841 . . . . 0.0 109.102 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.0 mp -101.91 118.48 37.01 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.283 1.033 . . . . 0.0 111.426 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 38.5 tp -97.38 134.17 41.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.947 2.099 . . . . 0.0 111.631 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.442 -0.826 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 172.408 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 m -125.72 19.04 7.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.613 1.165 . . . . 0.0 113.196 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.18 142.83 29.18 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.665 1.186 . . . . 0.0 110.581 173.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.19 31.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -163.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.74 131.46 49.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.844 2.057 . . . . 0.0 108.154 170.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.65 160.57 39.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.812 1.245 . . . . 0.0 113.798 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -115.14 140.57 48.96 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.225 1.81 . . . . 0.0 110.184 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -80.71 103.68 10.71 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.165 0.986 . . . . 0.0 109.566 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.54 -25.55 22.47 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -109.75 6.26 23.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 114.068 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.74 27.76 34.03 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 117.237 1.655 . . . . 0.0 117.237 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -129.58 22.78 5.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.661 1.731 . . . . 0.0 114.392 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.81 155.12 31.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 127.266 2.365 . . . . 0.0 114.055 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mt -76.09 125.59 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 121.515 -0.991 . . . . 0.0 108.829 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.27 150.6 49.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 112.865 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -137.27 157.32 46.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.933 2.093 . . . . 0.0 112.051 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.32 165.37 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.869 2.068 . . . . 0.0 111.572 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.21 151.1 47.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 121.274 -0.891 . . . . 0.0 111.646 161.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -80.21 133.89 36.07 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.225 -0.922 . . . . 0.0 112.891 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -138.45 -10.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.858 1.663 . . . . 0.0 115.004 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.39 10.91 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 119.004 0.82 . . . . 0.0 113.218 -173.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -103.61 -7.86 20.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.307 1.843 . . . . 0.0 113.471 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -70.66 -4.62 24.39 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -166.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.63 -13.72 59.22 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.514 1.531 . . . . 0.0 114.464 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -135.29 121.86 20.71 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.168 0.987 . . . . 0.0 109.041 162.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.7 mt -104.28 135.76 45.14 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.622 1.569 . . . . 0.0 110.749 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -73.06 162.26 29.67 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.32 1.057 . . . . 0.0 111.419 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -136.15 -177.57 4.76 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.178 0.991 . . . . 0.0 111.874 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -71.56 -6.27 39.51 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.07 -27.28 3.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.124 1.329 . . . . 0.0 113.703 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -74.83 111.64 10.24 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 120.215 1.37 . . . . 0.0 110.52 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.75 144.66 55.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.19 0.596 . . . . 0.0 111.813 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.77 -140.71 5.09 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 124.352 0.977 . . . . 0.0 111.506 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 mm -108.01 143.93 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 126.837 2.055 . . . . 0.0 110.064 171.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.23 135.0 50.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.28 1.032 . . . . 0.0 112.836 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -70.07 115.02 8.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.031 0.933 . . . . 0.0 112.58 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.46 135.16 34.37 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.131 1.372 . . . . 0.0 111.651 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.6 p -103.28 -17.41 15.32 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.259 1.424 . . . . 0.0 112.118 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.15 154.63 26.08 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 125.786 1.66 . . . . 0.0 113.674 171.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -154.88 171.26 19.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.5 1.12 . . . . 0.0 112.909 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.78 123.15 25.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 124.828 1.251 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.5 p -71.89 140.34 49.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.476 0.71 . . . . 0.0 112.124 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -13.5 12.21 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -155.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.91 -24.02 67.4 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.72 1.145 . . . . 0.0 113.005 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.24 172.26 6.94 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.453 2.301 . . . . 0.0 112.547 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.43 156.5 27.02 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 115.19 0.836 . . . . 0.0 115.19 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.86 141.15 29.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.012 2.125 . . . . 0.0 110.262 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -85.38 127.09 34.24 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 123.74 0.816 . . . . 0.0 110.43 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.24 162.55 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.232 1.413 . . . . 0.0 112.989 -171.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -154.69 129.17 9.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.496 1.518 . . . . 0.0 110.123 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -71.87 114.61 10.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.021 0.439 . . . . 0.0 109.942 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.48 -4.92 42.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -103.81 2.48 32.83 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.863 2.065 . . . . 0.0 113.183 170.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 14.1 65.41 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 117.926 1.93 . . . . 0.0 117.926 168.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -103.4 5.32 37.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 119.549 1.675 . . . . 0.0 113.038 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.76 25.52 73.74 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.118 1.342 . . . . 0.0 114.98 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.7 mt -116.32 116.97 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.743 1.271 . . . . 0.0 110.134 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.37 125.84 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 126.247 1.819 . . . . 0.0 108.106 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -149.53 -19.73 0.28 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.22 154.27 31.44 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.136 1.374 . . . . 0.0 113.484 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.56 -17.42 62.26 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.2 -14.1 57.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 119.763 1.781 . . . . 0.0 113.912 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -84.65 -16.63 41.25 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.279 1.831 . . . . 0.0 112.665 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.72 139.09 37.45 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.08 1.352 . . . . 0.0 108.719 157.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.93 143.06 41.86 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.594 0.711 . . . . 0.0 111.104 163.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.1 176.11 22.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 125.814 1.674 . . . . 0.0 109.921 -165.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.45 -1.43 10.78 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.524 1.662 . . . . 0.0 115.476 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -102.8 9.27 39.09 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 126.177 1.791 . . . . 0.0 113.094 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 160.1 15.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.453 1.501 . . . . 0.0 112.248 165.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -112.08 155.16 24.31 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.594 1.158 . . . . 0.0 114.015 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.02 173.03 9.11 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 129.161 2.985 . . . . 0.0 111.96 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.0 -7.35 40.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -98.23 -7.52 29.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 120.242 1.383 . . . . 0.0 113.516 169.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.17 -0.26 58.7 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.191 1.853 . . . . 0.0 115.142 -173.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -74.41 146.55 42.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 120.153 1.976 . . . . 0.0 112.153 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.5 145.72 54.67 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.123 -0.985 . . . . 0.0 111.74 165.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.75 151.63 39.13 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.698 -0.626 . . . . 0.0 112.405 172.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.74 -33.48 60.25 Favored 'General case' 0 N--CA 1.444 -0.762 0 O-C-N 121.265 -0.897 . . . . 0.0 111.517 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -140.23 121.27 14.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.337 1.855 . . . . 0.0 109.14 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.25 -29.12 55.96 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.873 1.225 . . . . 0.0 116.16 -171.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.6 -37.32 85.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 119.471 1.635 . . . . 0.0 111.502 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -19.21 65.53 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.2 65.36 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.51 -24.59 61.99 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.043 0.838 . . . . 0.0 112.42 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.27 -18.74 64.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.643 1.11 . . . . 0.0 113.441 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -70.99 -17.89 62.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.261 1.024 . . . . 0.0 113.258 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.8 mt -94.36 -12.17 28.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.575 1.55 . . . . 0.0 113.839 -169.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.26 128.52 36.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.15 0.886 . . . . 0.0 109.895 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -89.73 -36.23 15.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -106.51 -15.06 14.89 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.094 1.358 . . . . 0.0 114.1 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.09 33.56 26.11 Favored Glycine 0 C--O 1.221 -0.688 0 CA-C-N 119.903 1.229 . . . . 0.0 114.2 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -84.48 -12.92 53.37 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.304 1.052 . . . . 0.0 112.307 168.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.317 5.9 t30 68.27 29.72 5.88 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 128.353 2.661 . . . . 0.0 115.854 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.2 pt -128.07 144.92 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 124.414 1.086 . . . . 0.0 111.518 161.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 104.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -135.38 173.15 12.04 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.597 1.159 . . . . 0.0 111.845 -172.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.39 9.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.5 -17.36 45.4 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.384 -1.448 . . . . 0.0 114.61 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -78.14 136.96 37.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 120.758 1.617 . . . . 0.0 113.363 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.05 80.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.025 -1.047 . . . . 0.0 113.313 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.1 65.12 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -59.71 -34.94 73.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 119.409 1.004 . . . . 0.0 112.258 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.75 -23.4 39.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.835 0.854 . . . . 0.0 112.881 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m -82.64 -30.18 29.56 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.949 1.3 . . . . 0.0 114.173 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.33 147.0 53.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.625 1.17 . . . . 0.0 110.933 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -141.87 166.83 23.66 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.738 1.615 . . . . 0.0 111.009 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.1 t -122.44 140.72 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.876 1.27 . . . . 0.0 109.695 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -117.84 130.35 56.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -129.73 109.22 10.79 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.765 1.626 . . . . 0.0 110.904 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -104.05 119.21 38.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.456 1.103 . . . . 0.0 110.586 -175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.7 mt -88.14 -12.58 43.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.143 1.777 . . . . 0.0 113.08 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -113.82 -13.2 12.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.205 1.402 . . . . 0.0 113.38 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 55.64 38.04 29.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.021 2.129 . . . . 0.0 115.253 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.87 -3.97 58.89 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 114.656 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.47 -13.15 29.76 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.145 1.355 . . . . 0.0 115.413 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.6 mm -90.34 136.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.326 1.063 . . . . 0.0 108.915 169.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -95.14 123.3 38.56 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.66 1.184 . . . . 0.0 110.171 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -112.09 158.32 19.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.691 1.596 . . . . 0.0 111.546 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.3 70.35 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -68.72 -19.0 64.34 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.86 -5.35 58.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.594 1.558 . . . . 0.0 113.016 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.51 150.72 23.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.113 1.765 . . . . 0.0 112.922 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -135.98 135.37 39.48 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.498 2.319 . . . . 0.0 111.063 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.4 p -76.65 159.41 30.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.733 0.697 . . . . 0.0 111.102 162.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.39 -36.78 85.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.259 -0.9 . . . . 0.0 112.409 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -69.47 -40.01 77.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.403 0.681 . . . . 0.0 112.07 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.37 -21.42 63.8 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 tp -94.01 3.34 55.48 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.255 1.822 . . . . 0.0 113.314 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 24.86 74.21 Favored Glycine 0 C--N 1.335 0.485 0 O-C-N 120.817 -1.177 . . . . 0.0 114.537 176.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -84.67 141.22 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 124.92 1.288 . . . . 0.0 109.105 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.22 -39.65 3.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.844 1.258 . . . . 0.0 113.0 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 p -157.25 156.73 33.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -114.98 138.67 50.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.541 1.936 . . . . 0.0 109.367 169.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -85.8 133.88 33.96 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.458 0.703 . . . . 0.0 112.591 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.13 41.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.876 1.271 . . . . 0.0 111.958 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.36 127.75 22.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.474 1.509 . . . . 0.0 111.128 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -142.6 161.67 37.46 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.605 1.562 . . . . 0.0 113.747 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -121.74 144.71 48.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.749 2.019 . . . . 0.0 110.718 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.53 125.84 29.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.377 1.071 . . . . 0.0 111.263 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.91 -26.42 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 m120 47.15 41.42 11.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.431 1.893 . . . . 0.0 114.462 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -96.39 138.46 33.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.734 2.014 . . . . 0.0 110.864 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -74.13 146.24 43.69 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 111.071 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.04 5.82 12.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.41 1.484 . . . . 0.0 113.378 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.17 165.05 22.97 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 124.944 1.259 . . . . 0.0 114.446 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 50.24 28.54 3.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 114.357 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.63 8.73 85.67 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 125.195 1.379 . . . . 0.0 115.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.98 155.22 16.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.264 1.532 . . . . 0.0 111.915 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.9 m -138.61 146.02 41.25 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.165 1.386 . . . . 0.0 111.518 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 tp -107.28 109.56 21.36 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 127.247 2.219 . . . . 0.0 108.912 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.58 6.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.935 -0.478 . . . . 0.0 112.031 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -141.83 143.27 33.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.632 1.573 . . . . 0.0 110.139 -165.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -135.06 128.71 32.78 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.897 0.879 . . . . 0.0 112.311 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -123.43 -153.02 8.61 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 127.583 2.516 . . . . 0.0 111.878 167.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.3 p -148.96 155.27 40.59 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -162.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -143.89 159.46 42.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.048 1.339 . . . . 0.0 113.349 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.6 m -115.27 135.57 54.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.43 1.892 . . . . 0.0 111.313 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.39 153.58 17.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 126.47 1.908 . . . . 0.0 111.677 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.7 p -59.37 -31.89 69.63 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.569 1.147 . . . . 0.0 112.927 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -72.86 3.0 5.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.627 1.571 . . . . 0.0 114.908 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.74 5.58 87.98 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.29 1.424 . . . . 0.0 116.042 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 26.0 m -83.01 146.2 28.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.258 1.023 . . . . 0.0 110.925 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 p -118.64 144.67 46.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.798 1.239 . . . . 0.0 112.767 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.64 169.18 22.77 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 113.763 -171.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -85.17 148.5 26.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 113.022 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.9 ptm -142.11 153.85 44.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.618 1.167 . . . . 0.0 110.066 166.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.8 167.49 40.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -93.64 127.07 39.15 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.779 2.031 . . . . 0.0 111.386 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.12 150.9 42.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.994 1.717 . . . . 0.0 112.079 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -110.86 126.4 54.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.49 1.116 . . . . 0.0 108.021 160.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.19 143.37 32.72 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 124.508 1.123 . . . . 0.0 111.142 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.07 136.73 46.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.852 -0.53 . . . . 0.0 112.274 -172.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -151.53 159.46 44.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.13 121.28 15.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.343 1.057 . . . . 0.0 110.539 174.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.32 -35.56 71.29 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 120.92 -1.113 . . . . 0.0 113.98 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.3 -43.24 61.31 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 118.706 0.685 . . . . 0.0 110.613 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.94 -34.24 77.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.114 -0.991 . . . . 0.0 112.514 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 49.7 m -71.11 -0.99 10.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 42.9 ttp85 -106.91 -29.61 9.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.995 1.318 . . . . 0.0 112.587 168.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -70.39 -31.69 69.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 119.033 0.833 . . . . 0.0 112.988 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -126.68 151.44 48.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.988 1.715 . . . . 0.0 111.998 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 126.965 2.106 . . . . 0.0 111.442 170.269 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 p -69.68 109.18 4.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.936 0.868 . . . . 0.0 110.144 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -148.44 135.0 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.613 -0.68 . . . . 0.0 111.66 -153.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.97 14.69 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -166.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.84 112.56 14.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.281 1.832 . . . . 0.0 109.503 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.85 150.88 36.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.185 0.994 . . . . 0.0 113.144 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -114.36 134.72 54.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 126.005 1.722 . . . . 0.0 109.59 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.03 108.53 7.83 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 163.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.0 -9.97 49.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.144 -0.972 . . . . 0.0 113.613 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -110.68 -20.73 12.41 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -170.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.25 36.95 6.84 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-O 119.286 -0.73 . . . . 0.0 114.118 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -145.36 26.63 1.3 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.113 1.365 . . . . 0.0 113.864 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 161.05 26.23 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 125.095 1.331 . . . . 0.0 114.299 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.77 132.83 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.268 1.027 . . . . 0.0 110.549 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -137.28 157.48 46.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.9 p -132.25 159.98 37.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.983 1.313 . . . . 0.0 113.57 -164.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 m -134.54 162.25 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 128.703 2.801 . . . . 0.0 110.623 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.19 154.41 19.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 121.058 -1.026 . . . . 0.0 112.242 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 p -130.18 167.52 18.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -173.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -68.41 -27.49 66.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.144 1.378 . . . . 0.0 114.088 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.5 -171.78 44.21 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.311 1.434 . . . . 0.0 112.676 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -146.23 139.98 26.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.581 1.153 . . . . 0.0 110.834 174.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -108.79 -15.42 14.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 129.658 3.183 . . . . 0.0 115.324 5.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.87 166.3 37.4 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 120.178 1.354 . . . . 0.0 115.199 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.288 59.7 p 54.97 18.56 2.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 129.43 3.092 . . . . 0.0 117.938 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.99 6.94 33.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 126.233 1.813 . . . . 0.0 115.018 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -79.55 135.09 36.52 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 121.037 -1.039 . . . . 0.0 110.417 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -135.11 147.44 49.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.32 1.448 . . . . 0.0 112.797 -171.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.37 156.09 26.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.252 1.421 . . . . 0.0 113.774 -168.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.258 23.6 m120 56.19 27.13 11.17 Favored 'General case' 0 C--N 1.343 0.313 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -130.31 125.76 35.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.949 1.7 . . . . 0.0 110.14 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.68 132.33 53.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 123.016 0.526 . . . . 0.0 111.455 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.63 154.53 6.9 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.274 0.94 . . . . 0.0 113.646 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -132.74 140.39 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 110.565 172.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -126.35 142.65 51.45 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.587 1.555 . . . . 0.0 111.249 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.8 p -139.11 5.41 2.31 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 125.214 1.406 . . . . 0.0 114.596 -171.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.28 63.27 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -174.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 p -121.4 153.31 38.0 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 111.714 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.41 159.13 25.68 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 -171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -152.58 171.99 17.29 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.96 2.104 . . . . 0.0 110.311 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 m -75.29 147.06 8.54 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 O-C-N 120.112 -1.617 . . . . 0.0 112.8 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -61.87 154.13 27.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.091 0.957 . . . . 0.0 112.102 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -10.92 45.71 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 120.68 -1.263 . . . . 0.0 113.303 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.3 -21.83 64.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.444 1.497 . . . . 0.0 113.255 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -128.08 -172.24 2.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.406 3.082 . . . . 0.0 112.411 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.79 168.28 37.57 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 120.187 -1.57 . . . . 0.0 114.935 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.46 145.29 30.49 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.725 1.61 . . . . 0.0 112.608 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -82.42 128.74 34.54 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.865 0.866 . . . . 0.0 111.309 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.81 160.41 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 125.12 1.368 . . . . 0.0 113.931 -168.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -153.96 138.81 17.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.133 2.173 . . . . 0.0 111.194 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.7 128.25 33.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 122.007 -0.433 . . . . 0.0 111.577 174.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.77 -4.52 20.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -129.45 24.56 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 24.55 74.09 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 124.395 0.998 . . . . 0.0 115.465 169.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.31 -12.21 14.46 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 125.456 1.502 . . . . 0.0 113.676 -175.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.28 13.13 81.64 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 126.453 1.978 . . . . 0.0 117.173 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.1 mm -125.55 141.78 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 126.238 1.815 . . . . 0.0 108.833 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.81 108.21 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 124.93 1.292 . . . . 0.0 108.004 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.63 -8.1 1.1 Allowed 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -119.66 150.08 40.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.766 1.226 . . . . 0.0 111.934 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.14 -27.95 60.71 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 124.554 1.073 . . . . 0.0 115.769 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.44 -16.3 62.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.4 -16.12 53.12 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.083 1.353 . . . . 0.0 112.848 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.7 mt -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.245 -0.909 . . . . 0.0 111.363 160.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -70.34 127.2 31.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 154.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.41 -179.48 38.5 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.671 1.605 . . . . 0.0 110.649 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.16 1.35 7.68 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.431 1.616 . . . . 0.0 115.266 -174.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 3.7 35.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.02 1.728 . . . . 0.0 112.541 168.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 t -74.62 149.97 39.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.315 -1.49 . . . . 0.0 112.617 -177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -102.0 130.29 48.5 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.729 1.211 . . . . 0.0 111.268 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.18 176.22 6.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.373 2.269 . . . . 0.0 111.738 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.75 -22.1 65.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -169.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -94.75 -4.24 47.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.435 1.494 . . . . 0.0 113.76 175.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.91 -0.31 72.8 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 125.228 1.394 . . . . 0.0 115.394 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.0 p -73.57 149.74 41.94 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 119.507 1.654 . . . . 0.0 111.769 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.58 131.49 34.38 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.615 -1.303 . . . . 0.0 111.053 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.22 151.06 48.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.88 -0.512 . . . . 0.0 111.144 170.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.98 -32.22 71.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.693 -0.629 . . . . 0.0 111.898 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.9 126.67 27.37 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.676 1.591 . . . . 0.0 112.387 -171.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.45 65.72 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -36.22 64.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.718 1.259 . . . . 0.0 112.059 176.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.1 75.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.174 -0.954 . . . . 0.0 112.747 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.16 -32.14 73.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -71.32 -38.93 71.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 118.843 0.747 . . . . 0.0 111.733 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.41 68.03 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -71.85 -3.29 21.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.87 0.43 46.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.466 1.506 . . . . 0.0 114.924 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.08 122.72 25.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 118.787 0.721 . . . . 0.0 111.484 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -83.45 -37.41 23.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -109.32 -16.68 13.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.707 1.603 . . . . 0.0 115.311 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.22 27.54 27.76 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.96 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -84.04 -2.54 56.87 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.35 1.575 . . . . 0.0 113.015 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 t30 65.68 24.54 11.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.339 1.856 . . . . 0.0 114.933 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.3 pt -133.52 155.34 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 125.522 1.529 . . . . 0.0 112.148 167.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.49 112.31 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 124.959 1.304 . . . . 0.0 108.503 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -141.65 172.84 12.14 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.572 1.949 . . . . 0.0 111.729 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.92 -15.55 22.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.987 2.217 . . . . 0.0 116.987 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.66 -16.21 45.95 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.685 1.194 . . . . 0.0 114.127 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.58 132.21 38.2 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.596 1.158 . . . . 0.0 110.784 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.88 76.48 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.654 -1.279 . . . . 0.0 113.923 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.11 66.49 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.38 -34.44 61.24 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.508 1.123 . . . . 0.0 113.064 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.81 -30.78 71.07 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.332 1.453 . . . . 0.0 113.569 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -92.46 -14.35 28.62 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.824 1.649 . . . . 0.0 113.612 -173.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.29 143.99 57.48 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 111.541 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.7 168.47 19.22 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.928 1.691 . . . . 0.0 109.677 166.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.7 t -118.63 135.2 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 124.771 1.228 . . . . 0.0 109.426 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -109.09 124.59 51.03 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.32 1.048 . . . . 0.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -123.85 99.55 6.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.914 1.286 . . . . 0.0 110.427 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -93.66 129.0 40.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.722 0.809 . . . . 0.0 112.418 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.5 mt -88.68 -22.9 23.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.462 1.505 . . . . 0.0 114.984 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -114.27 -8.29 12.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.353 1.461 . . . . 0.0 114.692 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 54.53 36.09 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.837 2.055 . . . . 0.0 114.467 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.72 5.64 31.3 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -173.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.95 5.86 88.92 Favored Glycine 0 N--CA 1.445 -0.743 0 O-C-N 120.608 -1.307 . . . . 0.0 115.754 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.4 tt -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 119.788 1.794 . . . . 0.0 111.156 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.0 p -107.88 162.03 14.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.519 1.128 . . . . 0.0 113.664 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 168.72 19.1 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.906 2.082 . . . . 0.0 109.487 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.47 67.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.19 -21.15 62.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -95.12 -17.85 21.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.358 1.063 . . . . 0.0 113.191 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.36 123.33 45.27 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.297 1.439 . . . . 0.0 110.706 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -125.63 152.94 44.51 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.569 1.547 . . . . 0.0 112.493 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.1 p -82.17 159.05 23.39 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.625 1.17 . . . . 0.0 112.57 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.37 -33.71 76.49 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.247 -0.908 . . . . 0.0 111.058 168.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.57 -46.91 88.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.84 1.256 . . . . 0.0 113.418 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.48 -17.27 58.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 119.423 1.01 . . . . 0.0 113.331 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.46 -4.51 58.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.88 1.272 . . . . 0.0 112.779 165.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.54 75.87 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 125.368 1.461 . . . . 0.0 115.06 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.81 127.78 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 119.109 1.455 . . . . 0.0 109.972 -173.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.95 -36.27 9.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.577 1.551 . . . . 0.0 112.686 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.9 p -157.56 162.55 38.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt -112.79 139.25 48.57 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.828 1.651 . . . . 0.0 110.338 168.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.75 153.37 40.04 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 118.809 0.731 . . . . 0.0 112.794 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.6 mt -105.62 -8.11 18.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.17 134.14 35.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.253 0.621 . . . . 0.0 111.506 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.32 161.82 41.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 111.788 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -137.33 148.22 46.15 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 112.091 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.06 132.3 52.42 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.887 1.275 . . . . 0.0 111.906 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.66 -25.1 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 114.128 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 m120 47.14 43.03 13.95 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.492 1.917 . . . . 0.0 115.308 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -83.34 133.44 34.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.628 1.971 . . . . 0.0 112.281 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -76.32 132.46 39.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.572 0.749 . . . . 0.0 111.244 167.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -106.54 -1.72 22.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.5 1.52 . . . . 0.0 113.705 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.87 163.27 38.54 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 126.571 2.034 . . . . 0.0 114.657 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.6 t30 57.35 17.24 3.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.067 1.747 . . . . 0.0 115.583 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.63 4.29 57.09 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 126.348 1.928 . . . . 0.0 115.739 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -93.97 146.83 23.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.907 1.353 . . . . 0.0 111.599 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -140.73 140.58 34.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.7 1.2 . . . . 0.0 111.277 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.8 tp -106.97 111.11 23.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.771 2.028 . . . . 0.0 109.339 167.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.2 -53.8 6.06 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.11 139.66 41.39 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.137 1.375 . . . . 0.0 110.626 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -131.37 138.01 48.96 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.774 1.229 . . . . 0.0 111.997 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.5 -148.54 6.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 128.656 3.027 . . . . 0.0 111.912 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.3 t -147.29 162.59 38.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.405 1.082 . . . . 0.0 113.496 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -130.3 158.83 38.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.655 1.582 . . . . 0.0 111.89 165.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.3 m -120.95 137.93 54.38 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.631 1.572 . . . . 0.0 111.623 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -102.89 162.55 12.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.838 1.655 . . . . 0.0 114.449 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.4 p -60.28 -34.8 74.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.523 1.929 . . . . 0.0 113.556 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 -77.97 2.68 16.81 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.64 -5.04 82.44 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.115 1.817 . . . . 0.0 115.596 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 62.4 p -76.42 154.63 34.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 119.553 1.677 . . . . 0.0 112.982 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 32.2 p -128.35 151.57 49.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.0 1.72 . . . . 0.0 111.47 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.69 160.88 43.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.392 1.077 . . . . 0.0 111.255 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.14 151.95 38.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.8 ptm -143.93 155.93 44.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.77 1.628 . . . . 0.0 110.951 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -172.82 166.02 38.53 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 118.559 2.184 . . . . 0.0 118.559 -172.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -76.83 113.71 14.8 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.239 2.215 . . . . 0.0 110.931 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.24 129.77 55.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.171 1.388 . . . . 0.0 111.738 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.61 111.21 23.38 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 107.636 167.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.03 150.36 33.86 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.838 0.855 . . . . 0.0 111.839 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.69 131.24 50.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.299 0.64 . . . . 0.0 110.612 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -130.85 153.34 49.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 126.818 2.047 . . . . 0.0 110.81 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -71.34 151.41 44.17 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.99 -1.069 . . . . 0.0 113.402 -170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 53.87 34.04 18.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.464 1.905 . . . . 0.0 114.951 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.16 -37.14 1.48 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.544 1.537 . . . . 0.0 113.199 -172.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -87.19 -22.05 25.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 120.497 -1.377 . . . . 0.0 112.316 170.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 76.7 p -58.58 -22.12 55.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.069 1.348 . . . . 0.0 113.406 165.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -68.45 -9.92 51.9 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.079 1.351 . . . . 0.0 113.972 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -123.19 44.65 2.62 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.868 2.067 . . . . 0.0 111.706 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.98 -28.14 5.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.083 1.353 . . . . 0.0 114.398 -169.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.704 1.602 . . . . 0.0 113.854 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.242 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.0 p -152.0 153.63 34.43 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.035 0.934 . . . . 0.0 112.722 -176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.92 137.59 38.17 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.685 1.594 . . . . 0.0 110.347 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.99 166.05 28.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.33 133.31 53.74 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.291 1.437 . . . . 0.0 111.304 162.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.0 147.24 49.59 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 125.605 1.562 . . . . 0.0 112.747 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.88 140.31 49.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.066 1.746 . . . . 0.0 110.106 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -97.51 115.05 27.08 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.27 -17.2 63.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -112.89 -2.81 14.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.641 1.976 . . . . 0.0 114.4 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.52 12.52 73.56 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 126.773 2.13 . . . . 0.0 117.0 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.66 -32.11 57.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 120.06 1.93 . . . . 0.0 114.135 -168.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.52 131.05 2.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 126.229 1.871 . . . . 0.0 110.614 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.91 131.29 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 O-C-N 120.869 -1.371 . . . . 0.0 110.435 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.83 150.43 39.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.301 1.84 . . . . 0.0 113.65 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -138.99 160.54 39.54 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.287 1.435 . . . . 0.0 114.153 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.26 170.06 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 127.763 2.425 . . . . 0.0 111.569 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.39 163.86 26.02 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.93 0.492 . . . . 0.0 110.982 155.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.5 p -82.67 140.99 32.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.26 -1.525 . . . . 0.0 114.013 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 57.28 167.3 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 128.538 2.735 . . . . 0.0 115.486 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.44 17.2 79.78 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 116.997 1.559 . . . . 0.0 116.997 169.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -127.61 -28.94 2.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 118.985 1.392 . . . . 0.0 113.865 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -116.81 -3.11 11.72 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.485 1.914 . . . . 0.0 113.633 167.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.74 157.87 10.33 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 126.057 1.789 . . . . 0.0 112.305 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.1 m -113.94 16.06 18.38 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.308 1.043 . . . . 0.0 113.787 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -53.22 127.83 25.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.243 1.017 . . . . 0.0 110.476 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 52.57 23.62 2.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -87.5 128.35 35.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.191 -1.568 . . . . 0.0 110.194 170.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -11.07 27.36 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.019 1.727 . . . . 0.0 114.466 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 49.81 32.91 5.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.034 1.734 . . . . 0.0 115.213 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.13 -13.73 60.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.054 -1.029 . . . . 0.0 113.543 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -136.3 131.46 34.41 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.778 2.031 . . . . 0.0 112.606 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.41 -18.35 57.24 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.222 1.392 . . . . 0.0 114.936 171.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 mm -89.24 -49.12 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 119.388 1.594 . . . . 0.0 112.137 -172.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.267 69.4 mtt180 61.49 7.12 1.68 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 128.353 2.661 . . . . 0.0 118.068 173.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 p -68.83 -1.49 7.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.49 -3.5 53.24 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.927 1.691 . . . . 0.0 114.315 165.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -134.73 155.48 50.5 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.992 1.717 . . . . 0.0 111.291 -175.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.7 149.84 17.66 Favored Glycine 0 N--CA 1.441 -1.013 0 O-C-N 121.242 -0.911 . . . . 0.0 114.571 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -152.45 171.89 17.37 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -78.58 146.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 124.099 0.96 . . . . 0.0 112.018 169.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -65.4 157.6 28.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 121.729 -0.607 . . . . 0.0 112.355 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.65 56.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.274 1.429 . . . . 0.0 114.156 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.37 -25.57 68.09 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.865 2.466 . . . . 0.0 114.823 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -120.57 177.1 5.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.246 2.218 . . . . 0.0 111.852 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.96 170.57 34.3 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.218 -1.551 . . . . 0.0 116.151 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.0 mt -106.38 150.18 26.26 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.428 1.491 . . . . 0.0 113.072 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -89.32 117.93 28.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.54 150.09 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 125.585 1.554 . . . . 0.0 112.945 -166.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.84 142.86 23.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.483 1.113 . . . . 0.0 111.642 169.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -78.82 114.03 17.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.529 0.681 . . . . 0.0 111.36 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.01 1.95 16.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.144 0.978 . . . . 0.0 112.235 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -108.52 -5.04 16.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.74 1.616 . . . . 0.0 113.987 168.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.25 23.35 71.36 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 118.204 2.042 . . . . 0.0 118.204 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -109.32 0.44 19.53 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 119.744 1.772 . . . . 0.0 112.964 170.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.14 7.7 88.29 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 125.444 1.497 . . . . 0.0 115.129 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.93 121.62 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.204 1.402 . . . . 0.0 110.292 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mm -99.63 125.47 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.896 1.278 . . . . 0.0 109.634 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -155.0 -20.93 0.12 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -104.11 146.11 29.22 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.309 1.044 . . . . 0.0 111.516 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.66 -33.31 81.79 Favored Glycine 0 CA--C 1.525 0.706 0 O-C-N 121.211 -0.931 . . . . 0.0 114.42 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.71 -9.38 58.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.9 -21.15 51.67 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.977 1.311 . . . . 0.0 112.493 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.21 135.02 36.67 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.176 2.19 . . . . 0.0 110.995 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -71.62 134.0 46.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.943 -0.473 . . . . 0.0 111.68 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.78 37.0 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.418 1.961 . . . . 0.0 110.125 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.29 -6.62 24.97 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -173.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -119.23 25.33 10.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.236 1.414 . . . . 0.0 112.805 170.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -71.58 160.71 32.21 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 121.104 -0.997 . . . . 0.0 111.842 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HE3' ' CZ ' ' A' ' 73' ' ' PHE . 85.4 mttt -96.26 150.37 20.63 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 124.199 0.999 . . . . 0.0 111.705 168.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.7 172.11 12.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.884 2.074 . . . . 0.0 110.564 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -31.62 59.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.42 -10.02 58.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.96 -4.07 58.9 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 115.91 1.124 . . . . 0.0 115.91 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.59 143.51 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 120.446 2.123 . . . . 0.0 111.832 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 67' ' ' LYS . 72.6 m-85 -72.91 145.68 46.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.17 0.588 . . . . 0.0 111.738 171.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.34 11.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 114.537 -175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.89 -44.12 14.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.933 1.693 . . . . 0.0 113.081 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -140.47 148.15 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.27 1.828 . . . . 0.0 111.558 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.33 -44.46 96.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 123.748 0.689 . . . . 0.0 113.895 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -68.66 -31.44 70.57 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.3 62.99 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 119.478 1.035 . . . . 0.0 112.804 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.18 -37.57 63.9 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.988 0.915 . . . . 0.0 112.546 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.47 -33.75 76.39 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.198 0.999 . . . . 0.0 112.794 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -17.27 60.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.35 -22.61 65.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.749 -1.219 . . . . 0.0 113.542 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.43 -12.85 60.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -171.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -72.43 124.83 25.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.271 0.941 . . . . 0.0 112.281 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -91.52 -35.47 14.28 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -111.15 -7.84 14.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.928 1.691 . . . . 0.0 114.402 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.55 24.12 59.21 Favored Glycine 0 C--N 1.342 0.897 0 O-C-N 121.07 -1.018 . . . . 0.0 114.739 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -80.94 -3.37 51.3 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.693 1.246 . . . . 0.0 113.114 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.59 22.26 10.56 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 126.88 2.072 . . . . 0.0 114.411 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 pt -130.2 143.71 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.85 1.26 . . . . 0.0 111.141 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -96.94 107.83 20.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -138.76 171.94 13.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.933 0.893 . . . . 0.0 112.971 -167.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.21 13.24 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.71 -12.95 49.9 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.62 133.97 39.46 Favored 'General case' 0 C--O 1.226 -0.179 0 O-C-N 121.119 -0.988 . . . . 0.0 110.619 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.13 73.02 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 120.402 -1.436 . . . . 0.0 113.908 -169.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -17.18 64.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.736 1.214 . . . . 0.0 114.205 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -66.37 -30.39 70.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 120.212 1.369 . . . . 0.0 112.781 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.03 -15.64 61.51 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -2.02 22.76 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.877 1.271 . . . . 0.0 113.757 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.4 tp -83.86 129.98 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.212 1.405 . . . . 0.0 110.853 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -132.86 163.84 28.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.648 1.579 . . . . 0.0 112.53 -169.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -123.4 136.91 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.767 1.627 . . . . 0.0 109.541 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -107.0 116.95 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.066 1.746 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -114.18 101.04 8.83 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 125.396 1.478 . . . . 0.0 109.172 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.14 137.24 56.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.291 1.037 . . . . 0.0 111.449 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.62 -29.99 36.8 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.01 -12.76 14.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.159 1.383 . . . . 0.0 113.783 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 57.54 52.67 8.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.842 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -98.96 -16.22 18.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.047 0.939 . . . . 0.0 113.165 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.22 22.71 77.33 Favored Glycine 0 N--CA 1.444 -0.77 0 O-C-N 121.486 -0.759 . . . . 0.0 113.144 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.6 mm -110.1 123.38 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 170.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -89.7 141.78 28.29 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -167.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -137.32 146.15 44.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 125.772 1.629 . . . . 0.0 110.387 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.55 66.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -63.99 -16.61 61.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -90.56 -1.02 57.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.484 1.514 . . . . 0.0 113.961 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.0 mt -96.3 154.27 17.35 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 126.011 1.725 . . . . 0.0 112.811 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.71 151.9 32.04 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.426 1.49 . . . . 0.0 111.892 167.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.0 p -83.42 153.52 24.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.831 0.853 . . . . 0.0 112.655 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -38.79 88.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.581 -0.699 . . . . 0.0 112.566 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -34.24 72.05 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 121.351 -0.843 . . . . 0.0 112.243 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -72.83 -29.69 63.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.389 -0.819 . . . . 0.0 112.713 172.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.79 -8.58 57.2 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.052 1.741 . . . . 0.0 113.727 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.37 19.95 77.62 Favored Glycine 0 C--N 1.334 0.438 0 CA-C-N 119.602 1.092 . . . . 0.0 115.088 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 69.2 mt -88.85 129.3 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.849 1.66 . . . . 0.0 108.75 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -106.97 -38.93 5.9 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.052 0.941 . . . . 0.0 113.381 -171.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 p -154.25 148.62 26.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.6 mt -109.36 133.87 52.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.633 1.973 . . . . 0.0 109.815 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.95 136.88 33.42 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.293 0.637 . . . . 0.0 111.354 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.14 -16.06 48.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.802 1.241 . . . . 0.0 113.894 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.92 145.86 33.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.586 1.085 . . . . 0.0 112.816 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.9 160.79 38.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.917 1.687 . . . . 0.0 112.933 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -133.04 145.23 50.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.578 1.951 . . . . 0.0 109.494 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . 0.276 3.0 p30 -79.83 151.3 30.34 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.155 0.979 . . . . 0.0 112.947 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.75 -31.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.931 1.692 . . . . 0.0 112.825 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.1 m120 48.31 59.71 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.288 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.08 140.52 48.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.762 1.625 . . . . 0.0 112.516 -173.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.9 141.3 32.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.348 1.059 . . . . 0.0 111.006 165.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.4 mt -110.51 8.22 22.93 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.645 1.578 . . . . 0.0 113.672 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.0 164.64 30.08 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 125.371 1.463 . . . . 0.0 113.022 -164.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.5 10.68 1.02 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.909 1.684 . . . . 0.0 114.95 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.16 13.49 73.15 Favored Glycine 0 N--CA 1.442 -0.943 0 O-C-N 119.865 -1.772 . . . . 0.0 114.966 -171.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -77.87 144.07 37.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.333 1.566 . . . . 0.0 110.018 165.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.1 m -140.27 137.93 34.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -162.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.1 tp -107.11 113.63 27.2 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.904 2.082 . . . . 0.0 110.198 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.71 -52.7 5.88 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 124.208 1.003 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.19 153.33 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.202 1.801 . . . . 0.0 111.039 -174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -130.96 147.09 52.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 0.0 111.448 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.52 -170.63 16.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 127.297 2.379 . . . . 0.0 112.06 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -142.2 143.73 33.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 17.8 p90 -124.28 160.05 28.85 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.825 1.25 . . . . 0.0 111.726 168.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 88.7 m -119.62 139.69 51.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.519 1.528 . . . . 0.0 111.296 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -100.33 162.43 12.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 112.896 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 28.1 p -62.76 -25.72 68.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -80.99 9.97 5.79 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.74 -11.53 59.21 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 125.811 1.672 . . . . 0.0 115.6 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.6 p -78.24 162.64 26.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 118.959 1.38 . . . . 0.0 112.674 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 55.7 p -114.5 161.27 18.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -155.14 163.06 40.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.56 1.144 . . . . 0.0 112.433 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -82.16 143.67 31.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.712 1.605 . . . . 0.0 113.555 -170.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.5 ptm -135.12 164.81 26.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.042 1.337 . . . . 0.0 110.102 162.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.71 171.38 39.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -112.72 113.4 25.49 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.243 1.817 . . . . 0.0 110.441 -172.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.85 147.09 35.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.078 1.351 . . . . 0.0 113.537 -170.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 41.9 tp -115.65 116.73 28.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.962 1.305 . . . . 0.0 109.204 159.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.1 139.23 30.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.507 1.523 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.58 139.66 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 112.382 -173.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -138.91 167.8 21.22 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 129.906 3.282 . . . . 0.0 112.993 2.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -69.2 141.04 54.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.694 1.598 . . . . 0.0 113.56 -173.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 55.01 3.36 0.06 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 128.071 2.548 . . . . 0.0 116.128 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 33.8 mt -100.33 167.0 10.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.178 1.391 . . . . 0.0 111.997 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -106.89 175.95 5.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.988 2.115 . . . . 0.0 112.072 -172.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 48.1 p -71.85 -17.27 62.14 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 168.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -95.16 138.16 33.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.996 2.119 . . . . 0.0 111.664 173.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -144.49 126.6 15.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.462 1.105 . . . . 0.0 110.271 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.6 mt 55.42 13.53 0.94 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.953 2.101 . . . . 0.0 116.285 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.881 2.072 . . . . 0.0 111.848 175.704 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 14.8 m -78.46 -4.37 48.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -167.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -128.14 146.1 50.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.414 1.006 . . . . 0.0 112.793 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -158.81 168.65 26.27 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.527 1.531 . . . . 0.0 112.807 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.67 134.84 34.35 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.071 0.948 . . . . 0.0 112.729 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.01 160.69 31.15 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.386 1.874 . . . . 0.0 113.062 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.9 143.4 50.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.54 1.936 . . . . 0.0 111.217 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -86.75 120.75 28.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.438 1.095 . . . . 0.0 111.426 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -88.74 -13.72 38.89 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.546 1.138 . . . . 0.0 113.696 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.15 -17.71 13.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.708 1.203 . . . . 0.0 113.617 -172.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.37 36.46 49.9 Favored Glycine 0 C--O 1.219 -0.787 0 C-N-CA 123.705 0.669 . . . . 0.0 113.819 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -124.11 -13.95 7.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.622 1.569 . . . . 0.0 113.172 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 150.55 6.46 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 126.551 2.024 . . . . 0.0 112.337 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.96 132.84 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.166 1.386 . . . . 0.0 109.614 174.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -138.34 149.86 46.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.874 1.67 . . . . 0.0 112.796 -168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -143.07 163.09 33.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.171 1.788 . . . . 0.0 113.45 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.81 174.72 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 128.334 2.654 . . . . 0.0 110.663 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.61 155.39 20.46 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 121.04 -1.037 . . . . 0.0 111.565 156.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.6 p -79.58 162.53 25.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.028 1.331 . . . . 0.0 113.516 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -95.43 158.05 15.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.454 1.502 . . . . 0.0 113.33 170.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.7 174.64 18.07 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 126.017 1.77 . . . . 0.0 114.075 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.05 -15.84 14.42 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.965 1.706 . . . . 0.0 112.8 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.1 p -143.45 168.59 19.47 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.313 2.245 . . . . 0.0 111.109 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.46 -89.76 0.09 OUTLIER Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.727 1.632 . . . . 0.0 113.995 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -64.16 -15.58 60.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.727 1.611 . . . . 0.0 113.792 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -97.28 126.79 42.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.635 1.574 . . . . 0.0 108.152 160.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -126.02 -53.32 1.52 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t0 51.1 28.97 4.31 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 173.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -54.89 -37.47 66.35 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.247 -1.533 . . . . 0.0 114.288 -165.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -99.68 5.0 45.85 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.582 -168.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.7 mmt-85 54.86 31.67 16.21 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.089 1.756 . . . . 0.0 113.82 177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -94.08 -10.53 33.07 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -167.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.75 11.78 60.9 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.804 1.669 . . . . 0.0 115.42 -173.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.31 -52.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.818 1.647 . . . . 0.0 111.483 -171.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -98.92 73.33 1.96 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.212 1.405 . . . . 0.0 108.648 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -104.46 -47.68 4.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.396 -162.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.8 154.87 50.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.425 1.49 . . . . 0.0 112.725 -169.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 p -71.13 162.27 29.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 123.906 0.882 . . . . 0.0 112.271 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.75 148.51 18.85 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 124.796 1.189 . . . . 0.0 113.155 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -148.59 167.37 25.62 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 117.75 0.775 . . . . 0.0 112.018 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.85 151.07 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 112.069 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -63.03 158.74 18.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 111.028 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -9.95 29.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 120.349 -1.47 . . . . 0.0 113.295 170.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.87 3.17 35.0 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 129.338 3.055 . . . . 0.0 113.88 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.34 178.54 8.68 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 130.241 3.416 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.62 163.52 32.63 Favored Glycine 0 N--CA 1.438 -1.223 0 O-C-N 119.848 -1.782 . . . . 0.0 115.407 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 134.97 52.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.036 1.734 . . . . 0.0 110.465 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -81.95 122.99 28.47 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.699 1.199 . . . . 0.0 112.233 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.7 m -145.46 165.76 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.144 1.378 . . . . 0.0 113.452 -168.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -147.36 138.27 23.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.772 2.029 . . . . 0.0 111.563 169.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -82.93 120.66 25.98 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 121.743 -0.598 . . . . 0.0 110.556 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.73 0.48 41.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.803 . . . . 0.0 113.999 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -140.49 9.11 2.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.43 87.06 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 168.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -80.72 -0.85 40.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.643 1.221 . . . . 0.0 114.246 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.91 0.17 89.16 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 117.716 -1.602 . . . . 0.0 115.374 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 pt -131.82 161.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 126.371 1.869 . . . . 0.0 112.89 -175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.2 mm -100.82 109.67 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 126.265 1.826 . . . . 0.0 109.32 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -136.08 -5.11 2.13 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.45 145.99 47.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.617 1.099 . . . . 0.0 111.741 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.36 -19.04 45.55 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.78 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.79 1.295 . . . . 0.0 114.019 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -85.87 -7.25 58.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.623 1.569 . . . . 0.0 114.618 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -91.97 152.06 20.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.776 1.23 . . . . 0.0 110.172 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.03 128.4 35.72 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.714 -0.616 . . . . 0.0 111.57 167.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 177.71 -153.68 13.8 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.212 0.911 . . . . 0.0 112.157 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -27.08 62.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.491 1.116 . . . . 0.0 111.538 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.4 7.51 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.574 -1.329 . . . . 0.0 113.357 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -73.47 129.35 37.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.866 0.866 . . . . 0.0 110.628 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -86.86 134.68 33.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.165 0.986 . . . . 0.0 111.196 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.3 mt -98.62 172.93 7.17 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.222 1.809 . . . . 0.0 114.37 -172.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 -17.81 56.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -97.62 7.11 47.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.827 1.251 . . . . 0.0 113.241 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.04 -5.77 74.59 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 126.062 1.791 . . . . 0.0 115.287 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -76.17 154.7 35.18 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 120.211 2.006 . . . . 0.0 113.384 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -81.77 141.93 33.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.114 -0.991 . . . . 0.0 110.852 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.67 154.37 41.43 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 122.848 1.309 . . . . 0.0 114.363 -168.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -60.75 -40.13 91.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.589 -1.32 . . . . 0.0 110.79 163.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -171.01 168.3 6.99 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 128.695 2.798 . . . . 0.0 109.945 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.42 -24.47 65.78 Favored Glycine 0 C--N 1.337 0.618 0 O-C-N 120.876 -1.14 . . . . 0.0 113.941 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.81 -27.55 65.97 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.609 1.704 . . . . 0.0 112.424 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.87 58.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.442 -1.411 . . . . 0.0 113.126 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.42 -44.8 34.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.641 0.776 . . . . 0.0 112.5 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.96 -34.36 77.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.49 78.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -82.91 -14.53 54.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.8 mt -80.48 -21.9 41.54 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.198 -0.939 . . . . 0.0 112.437 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.55 119.66 8.48 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.625 1.17 . . . . 0.0 111.486 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.0 m -72.21 -19.98 61.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.589 1.155 . . . . 0.0 113.947 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -104.65 -16.25 15.04 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.354 1.462 . . . . 0.0 113.183 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.91 42.49 37.63 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.012 1.291 . . . . 0.0 115.289 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.39 12.89 15.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.14 1.376 . . . . 0.0 113.677 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 t30 58.71 24.57 12.36 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.854 2.461 . . . . 0.0 115.129 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.58 131.17 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.016 1.327 . . . . 0.0 108.187 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.0 mm -89.28 107.46 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -130.03 168.17 17.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.097 1.359 . . . . 0.0 111.859 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.54 13.98 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.88 -23.04 63.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.2 142.61 31.05 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.718 1.207 . . . . 0.0 112.898 -173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.0 90.97 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 120.817 -1.177 . . . . 0.0 113.898 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.97 66.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.411 1.084 . . . . 0.0 113.583 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -57.48 -29.24 64.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.923 0.889 . . . . 0.0 112.229 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.72 -31.12 59.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.271 1.428 . . . . 0.0 112.842 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 m -83.34 -30.42 27.49 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.772 1.229 . . . . 0.0 113.755 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.56 149.0 40.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.023 0.929 . . . . 0.0 113.053 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -134.65 156.73 48.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.763 1.625 . . . . 0.0 110.354 171.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.38 128.21 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 124.058 0.943 . . . . 0.0 108.809 170.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.31 116.36 28.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.204 1.002 . . . . 0.0 109.011 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.54 108.05 17.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.006 1.723 . . . . 0.0 108.831 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -107.02 116.28 31.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.905 0.882 . . . . 0.0 111.214 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.49 -12.34 60.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -112.82 -16.76 12.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 46.8 65.19 1.28 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 126.468 1.907 . . . . 0.0 113.161 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -115.88 -8.57 11.92 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.599 1.56 . . . . 0.0 114.06 -171.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.98 10.95 84.12 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 125.225 1.393 . . . . 0.0 114.69 -173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.9 125.84 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-N 119.784 1.792 . . . . 0.0 108.523 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -82.3 137.92 34.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.52 0.728 . . . . 0.0 111.922 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.1 147.46 51.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.521 1.128 . . . . 0.0 110.379 165.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.76 76.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -62.26 -19.32 63.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -86.06 -7.61 58.5 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.776 1.63 . . . . 0.0 112.9 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.95 127.39 36.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.754 1.222 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -106.81 140.23 39.97 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.508 1.923 . . . . 0.0 109.892 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -72.13 159.12 34.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 161.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.32 -32.93 73.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.212 -0.93 . . . . 0.0 111.781 171.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.18 -34.49 63.79 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.35 -19.45 63.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.445 -2.034 . . . . 0.0 113.631 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.72 -2.14 58.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.619 1.568 . . . . 0.0 112.783 170.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.12 25.08 74.61 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.523 1.059 . . . . 0.0 114.753 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.7 mt -77.29 142.81 13.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 118.486 1.143 . . . . 0.0 109.559 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.0 -47.99 3.16 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.312 1.445 . . . . 0.0 112.537 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -155.55 143.41 19.82 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.6 mt -117.24 100.35 7.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.254 2.622 . . . . 0.0 109.431 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -79.99 119.5 22.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.749 0.82 . . . . 0.0 111.007 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.4 mt -80.59 2.7 24.55 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 114.733 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.45 41.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.442 1.019 . . . . 0.0 112.046 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -146.58 152.28 38.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -116.14 143.13 45.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.974 2.51 . . . . 0.0 110.49 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.26 129.47 40.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.715 1.206 . . . . 0.0 110.63 171.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.14 -28.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m120 48.5 51.2 15.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.93 2.092 . . . . 0.0 115.707 166.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.35 140.32 31.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.79 1.636 . . . . 0.0 112.787 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -81.47 128.13 33.55 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.196 0.998 . . . . 0.0 108.879 162.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 37.4 mt -109.24 9.19 25.97 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 113.668 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 82.59 164.12 34.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 124.572 1.082 . . . . 0.0 113.638 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 53.33 29.38 8.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.06 1.744 . . . . 0.0 114.88 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.76 2.78 78.16 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 126.201 1.858 . . . . 0.0 115.28 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -95.15 144.15 26.01 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.977 1.311 . . . . 0.0 112.816 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -136.16 138.73 42.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 111.753 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -106.6 104.7 14.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.658 1.583 . . . . 0.0 109.186 168.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.03 -47.47 11.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -133.09 134.64 44.55 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.395 1.478 . . . . 0.0 110.721 -168.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -137.24 136.23 37.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.963 1.305 . . . . 0.0 113.116 -170.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.82 -167.27 13.28 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 127.221 2.344 . . . . 0.0 112.436 165.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.6 t -140.02 149.42 43.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.896 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -130.15 165.92 21.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.517 1.527 . . . . 0.0 112.292 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 83.0 m -128.3 141.43 51.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.351 1.061 . . . . 0.0 112.087 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -101.75 159.97 14.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.594 1.958 . . . . 0.0 113.408 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 61.8 p -64.19 -27.97 69.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -77.98 -1.65 33.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.64 -6.67 74.26 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.693 1.616 . . . . 0.0 115.302 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 65.1 p -75.16 155.94 36.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.814 1.307 . . . . 0.0 112.114 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 64.2 p -135.07 152.28 51.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.003 1.321 . . . . 0.0 111.933 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.2 40.32 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.263 1.425 . . . . 0.0 111.434 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -77.65 156.51 30.7 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.0 ptm -139.47 157.91 45.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.533 1.933 . . . . 0.0 109.64 167.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.79 174.19 43.04 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 121.191 1.814 . . . . 0.0 117.493 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -85.07 108.69 17.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.23 1.812 . . . . 0.0 110.41 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.4 mt -96.45 127.77 42.76 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.287 1.435 . . . . 0.0 110.608 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -89.81 111.0 21.89 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 158.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.07 149.74 20.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.963 0.905 . . . . 0.0 110.757 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.27 144.26 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.574 -0.704 . . . . 0.0 112.203 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -141.85 176.2 9.12 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.126 1.371 . . . . 0.0 111.17 -171.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.62 126.46 28.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.55 0.691 . . . . 0.0 111.493 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -116.41 146.64 42.36 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.172 1.789 . . . . 0.0 111.008 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 96.2 mt -120.07 125.97 49.6 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.855 1.662 . . . . 0.0 110.397 171.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -147.66 -20.0 0.37 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 7.6 t -157.07 157.56 34.82 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 120.642 1.564 . . . . 0.0 114.046 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -112.32 10.03 19.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.069 2.147 . . . . 0.0 112.604 167.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.55 157.7 46.23 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.841 2.056 . . . . 0.0 113.039 -169.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 62.3 mt 61.95 141.39 0.02 OUTLIER 'General case' 0 C--O 1.233 0.212 0 C-N-CA 127.721 2.408 . . . . 0.0 114.48 -167.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.724 2.01 . . . . 0.0 112.196 -172.271 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.1 m -115.31 3.69 14.28 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.033 1.333 . . . . 0.0 114.15 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.28 166.03 14.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.566 1.146 . . . . 0.0 112.604 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.87 163.88 34.67 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.609 1.164 . . . . 0.0 109.994 170.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.81 116.97 9.91 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.66 168.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.91 146.19 40.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.553 1.541 . . . . 0.0 110.837 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.22 133.02 55.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.706 1.602 . . . . 0.0 110.52 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -77.23 124.65 28.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -81.92 -18.71 42.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.07 -22.12 11.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -166.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.88 43.09 18.65 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.925 0.784 . . . . 0.0 112.81 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -138.48 7.0 2.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.203 1.801 . . . . 0.0 114.428 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.98 24.0 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 125.92 1.724 . . . . 0.0 114.572 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.66 122.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 C-N-CA 124.777 1.231 . . . . 0.0 109.351 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -104.48 144.45 31.66 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.925 1.29 . . . . 0.0 113.111 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -138.37 148.93 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.652 1.181 . . . . 0.0 112.275 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -145.74 164.62 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 C-N-CA 126.594 1.958 . . . . 0.0 111.817 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.62 113.68 15.11 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 125.639 1.576 . . . . 0.0 109.902 169.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.8 p -86.54 -4.87 59.24 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -167.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 51.07 50.1 19.79 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.051 1.34 . . . . 0.0 113.241 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.31 -58.34 5.0 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 125.067 1.318 . . . . 0.0 113.96 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -154.38 16.02 0.46 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -92.12 47.19 1.31 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.595 2.358 . . . . 0.0 113.055 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.29 131.44 52.05 Favored Glycine 0 N--CA 1.443 -0.86 0 O-C-N 121.309 -0.869 . . . . 0.0 112.87 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m 48.75 34.57 5.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.401 2.28 . . . . 0.0 114.632 -170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.03 -49.15 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.651 1.581 . . . . 0.0 110.879 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 57.99 -11.13 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 129.54 3.136 . . . . 0.0 119.444 167.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -81.42 -39.17 25.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 120.049 1.295 . . . . 0.0 113.757 -165.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -133.13 163.75 28.58 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.982 1.713 . . . . 0.0 112.816 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.44 147.59 39.79 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.536 1.135 . . . . 0.0 112.158 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -139.45 133.49 31.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.854 1.262 . . . . 0.0 112.716 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.69 175.92 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 128.201 2.601 . . . . 0.0 115.154 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.58 16.09 8.57 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 125.253 1.406 . . . . 0.0 116.234 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.98 138.37 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 126.253 1.821 . . . . 0.0 109.598 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -98.57 136.39 38.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 123.775 0.83 . . . . 0.0 110.333 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -126.7 172.48 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.658 1.183 . . . . 0.0 112.313 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.72 150.03 48.05 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.549 0.739 . . . . 0.0 112.293 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.82 -19.66 58.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 125.157 1.383 . . . . 0.0 113.053 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.22 114.85 0.5 Allowed Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 126.546 2.022 . . . . 0.0 111.351 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -134.53 165.86 24.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.793 1.637 . . . . 0.0 111.539 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.44 128.13 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 120.489 -1.382 . . . . 0.0 110.843 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -54.23 156.45 3.16 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.389 1.876 . . . . 0.0 113.523 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.48 2.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 113.892 168.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.47 -20.7 50.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.572 1.549 . . . . 0.0 115.083 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.75 -177.84 5.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 127.045 2.138 . . . . 0.0 111.818 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.54 178.74 33.73 Favored Glycine 0 N--CA 1.443 -0.871 0 O-C-N 119.066 -2.271 . . . . 0.0 117.664 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.99 146.65 41.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.639 1.976 . . . . 0.0 113.245 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.43 124.37 29.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.632 1.173 . . . . 0.0 111.343 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.19 159.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.767 1.227 . . . . 0.0 113.384 -170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -156.74 116.43 3.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -70.72 119.72 15.27 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.395 1.078 . . . . 0.0 110.278 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.56 1.07 35.33 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 113.105 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.61 -6.26 19.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.37 1.468 . . . . 0.0 113.494 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.01 75.94 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 115.542 0.977 . . . . 0.0 115.542 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -105.74 -15.0 15.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.47 1.635 . . . . 0.0 113.098 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 26.97 18.33 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-O 117.508 -1.718 . . . . 0.0 114.708 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.01 126.03 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 119.365 1.582 . . . . 0.0 110.743 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.5 mm -100.81 107.95 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 126.369 1.868 . . . . 0.0 109.506 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.02 -6.45 0.75 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -120.17 149.05 42.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.822 1.649 . . . . 0.0 110.519 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.79 -27.42 72.03 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 120.143 -1.598 . . . . 0.0 115.598 -168.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -7.78 48.75 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.21 -7.38 53.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 113.394 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 144.02 28.19 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.774 1.23 . . . . 0.0 109.334 164.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -74.04 106.08 5.56 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 167.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -169.46 -161.24 19.48 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.609 2.052 . . . . 0.0 112.162 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -77.41 9.1 3.47 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.863 -1.375 . . . . 0.0 114.269 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -121.42 1.77 10.18 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.797 1.239 . . . . 0.0 113.772 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -59.09 143.16 49.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.878 1.271 . . . . 0.0 113.741 -170.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -109.94 139.8 44.64 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 125.309 1.444 . . . . 0.0 111.188 172.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.89 160.13 14.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.949 2.1 . . . . 0.0 112.63 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.42 69.79 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.745 1.218 . . . . 0.0 113.494 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.43 -9.22 58.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.669 1.188 . . . . 0.0 113.999 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.49 58.66 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.293 1.901 . . . . 0.0 116.206 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.9 p -89.45 164.69 14.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 119.386 1.593 . . . . 0.0 113.561 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -92.08 153.08 19.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.229 -0.92 . . . . 0.0 112.863 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.18 159.6 18.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.481 1.512 . . . . 0.0 112.536 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.5 -30.14 33.39 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.219 1.007 . . . . 0.0 113.48 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -157.22 162.58 39.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.535 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.94 97.31 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.864 1.221 . . . . 0.0 113.576 -175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.8 -43.43 96.32 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 119.319 1.559 . . . . 0.0 112.504 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.843 1.202 . . . . 0.0 112.305 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.85 63.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 173.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.77 -40.69 20.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.948 1.299 . . . . 0.0 111.943 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.61 -23.16 67.17 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.856 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.41 -20.95 65.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.813 1.645 . . . . 0.0 113.631 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.2 mt -96.57 -8.69 31.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.444 1.498 . . . . 0.0 114.12 -167.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -70.38 113.05 7.15 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 120.023 1.283 . . . . 0.0 109.966 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.7 p -86.12 -14.89 42.84 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.19 1.396 . . . . 0.0 114.444 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -109.93 -22.85 11.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -164.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.26 31.5 61.3 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 119.033 0.833 . . . . 0.0 113.914 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -97.85 -7.4 30.48 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.135 1.374 . . . . 0.0 112.075 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.281 5.3 t30 58.84 30.87 20.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.995 2.518 . . . . 0.0 114.644 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.8 pt -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.888 1.675 . . . . 0.0 111.039 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.93 116.35 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 167.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -149.56 177.71 9.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.798 1.639 . . . . 0.0 111.009 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.73 16.48 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.34 -24.99 66.61 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.8 142.09 28.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.826 1.651 . . . . 0.0 113.053 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.83 68.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.873 1.269 . . . . 0.0 113.533 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.33 62.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.943 1.297 . . . . 0.0 113.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.34 -20.69 64.64 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.841 -1.162 . . . . 0.0 113.217 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.97 -28.28 25.92 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.041 1.337 . . . . 0.0 113.894 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.8 p -105.76 -20.01 13.58 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.4 mt -63.73 140.87 58.91 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.709 1.204 . . . . 0.0 111.701 172.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -139.52 169.64 17.38 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.298 2.239 . . . . 0.0 109.345 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -119.21 127.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 124.177 0.991 . . . . 0.0 109.473 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -91.92 109.0 20.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.073 1.349 . . . . 0.0 109.957 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -110.11 99.7 8.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.271 1.828 . . . . 0.0 107.729 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.21 147.43 36.41 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.724 -0.61 . . . . 0.0 111.879 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.74 -42.21 15.44 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.115 0.966 . . . . 0.0 112.436 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -119.0 -7.32 10.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.26 20.4 mp0 60.57 42.07 14.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.712 2.405 . . . . 0.0 114.341 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -76.25 -25.34 54.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.572 1.549 . . . . 0.0 114.218 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.14 19.66 69.13 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 124.189 0.9 . . . . 0.0 113.834 -166.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.8 mt -129.35 112.01 23.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.84 1.656 . . . . 0.0 107.991 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -84.11 144.33 29.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.21 -0.931 . . . . 0.0 112.561 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -125.85 167.4 15.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.326 1.05 . . . . 0.0 111.945 165.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.4 60.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -91.15 -3.34 57.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.487 1.515 . . . . 0.0 113.333 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -93.1 7.75 42.92 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.385 1.474 . . . . 0.0 113.636 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 147.84 26.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.673 1.189 . . . . 0.0 112.01 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -122.87 147.63 46.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.908 2.083 . . . . 0.0 108.795 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.9 p -79.83 157.95 26.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.788 0.835 . . . . 0.0 111.565 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.75 -33.99 75.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.131 -0.981 . . . . 0.0 111.692 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -46.11 68.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.32 -27.69 64.57 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.828 1.194 . . . . 0.0 111.925 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.26 2.94 16.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.958 1.703 . . . . 0.0 113.585 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.77 79.81 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 119.724 1.147 . . . . 0.0 114.044 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.69 134.75 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 118.815 1.308 . . . . 0.0 110.198 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -94.57 -49.41 5.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.245 1.818 . . . . 0.0 111.277 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.2 p -161.55 168.14 24.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.68 1.192 . . . . 0.0 112.781 173.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.0 135.06 48.13 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.838 1.655 . . . . 0.0 110.299 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -89.45 130.22 35.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.408 1.083 . . . . 0.0 111.543 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.79 12.53 18.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -96.25 93.26 6.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 120.675 1.58 . . . . 0.0 112.498 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.06 144.33 29.22 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.421 1.889 . . . . 0.0 112.801 -173.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -131.05 143.18 50.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.488 1.515 . . . . 0.0 111.999 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.64 136.78 47.47 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.111 0.964 . . . . 0.0 112.093 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -134.07 -26.5 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 126.475 1.91 . . . . 0.0 114.112 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 42.57 45.94 4.09 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 127.322 2.249 . . . . 0.0 115.531 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -105.75 124.63 49.87 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.07 1.348 . . . . 0.0 111.548 -169.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -71.76 131.3 42.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 171.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.0 mt -116.31 -23.09 8.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.084 1.354 . . . . 0.0 113.242 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.99 179.52 38.18 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 125.034 1.302 . . . . 0.0 112.806 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -69.56 96.19 0.91 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.627 1.171 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.79 10.75 75.35 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 125.316 1.436 . . . . 0.0 116.079 -170.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -125.02 122.88 38.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 119.398 1.599 . . . . 0.0 112.248 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.2 m -145.59 137.48 25.37 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.664 1.186 . . . . 0.0 111.083 -168.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.8 tp -102.54 115.85 31.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.957 1.703 . . . . 0.0 110.735 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.12 3.57 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.048 0.939 . . . . 0.0 112.902 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -141.97 145.49 34.54 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.831 1.253 . . . . 0.0 111.325 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -139.17 133.12 30.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.042 1.337 . . . . 0.0 111.997 -162.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.25 -157.21 10.69 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 126.376 1.941 . . . . 0.0 111.837 161.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.5 m -134.7 170.18 16.21 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.254 1.022 . . . . 0.0 112.471 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -131.76 152.49 50.9 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.843 0.857 . . . . 0.0 110.701 160.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.0 m -104.82 138.99 40.25 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.448 1.099 . . . . 0.0 110.076 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -99.28 156.22 17.1 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 126.522 1.929 . . . . 0.0 110.764 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.3 p -60.69 -24.74 65.86 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.898 -1.127 . . . . 0.0 113.842 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -74.01 -1.56 20.46 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.851 1.66 . . . . 0.0 115.073 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.14 2.87 73.64 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 126.898 2.189 . . . . 0.0 115.918 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 170.85 8.35 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 119.314 1.557 . . . . 0.0 112.434 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.6 p -126.46 163.06 24.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.9 164.37 30.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.874 1.269 . . . . 0.0 110.809 160.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -87.52 152.41 22.23 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.285 1.034 . . . . 0.0 113.097 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.2 ptm -150.37 150.43 31.41 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.514 1.126 . . . . 0.0 112.055 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.73 177.62 48.08 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 117.013 1.565 . . . . 0.0 117.013 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -74.52 106.41 6.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 109.675 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.18 120.04 35.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.055 -165.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.8 tp -71.42 123.76 23.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.247 1.819 . . . . 0.0 111.01 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.4 mt -104.21 134.3 47.69 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.81 2.044 . . . . 0.0 109.064 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -99.0 121.85 41.49 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 110.556 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -153.0 168.1 26.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.737 1.215 . . . . 0.0 111.981 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -81.32 147.15 30.01 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 121.501 -0.75 . . . . 0.0 112.956 174.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -70.27 161.63 29.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.923 0.889 . . . . 0.0 110.529 163.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.91 -11.82 61.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -168.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.47 159.02 11.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.669 1.188 . . . . 0.0 113.256 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 89.7 p -71.63 -6.64 42.46 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -66.38 3.76 0.87 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 117.946 2.572 . . . . 0.0 117.946 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.36 -13.92 53.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.532 1.133 . . . . 0.0 113.406 172.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 77.2 mt -118.99 148.92 42.47 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.012 1.325 . . . . 0.0 109.774 157.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 129.696 3.198 . . . . 0.0 113.844 2.143 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.5 m -80.17 59.34 3.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.121 2.168 . . . . 0.0 113.04 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.87 131.28 11.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.04 1.336 . . . . 0.0 109.55 -175.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.17 19.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -170.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.3 tp -88.29 114.07 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.833 1.253 . . . . 0.0 110.391 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 161.52 21.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.374 1.47 . . . . 0.0 114.103 -170.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.66 140.8 48.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.237 1.815 . . . . 0.0 111.522 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -84.56 106.31 16.03 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.241 1.016 . . . . 0.0 112.284 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.01 -17.73 36.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -166.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -113.78 -16.29 12.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.119 1.525 . . . . 0.0 115.119 172.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.5 25.94 24.38 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.342 -1.254 . . . . 0.0 114.528 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.21 10.25 30.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 120.038 1.919 . . . . 0.0 115.424 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 160.55 29.41 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 127.145 2.307 . . . . 0.0 112.691 -171.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.92 117.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -101.72 146.7 27.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 122.259 1.028 . . . . 0.0 113.509 -170.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 p -126.07 162.28 25.67 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 111.67 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.77 150.24 19.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.021 1.329 . . . . 0.0 111.123 -175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.93 138.36 39.65 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.057 0.943 . . . . 0.0 111.901 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.6 p -120.71 -18.21 7.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -171.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -155.5 148.69 24.71 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.294 1.838 . . . . 0.0 111.0 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.2 -148.42 1.03 Allowed Glycine 0 CA--C 1.526 0.76 0 C-N-CA 126.118 1.818 . . . . 0.0 116.475 -175.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -130.48 4.09 4.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -165.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -20.28 64.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 120.288 1.404 . . . . 0.0 114.769 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.84 2.69 80.24 Favored Glycine 0 CA--C 1.525 0.656 0 C-N-CA 125.089 1.328 . . . . 0.0 114.745 169.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -110.75 1.44 17.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.205 2.202 . . . . 0.0 113.7 -172.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.79 -30.44 70.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 -164.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -74.19 -28.85 61.47 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.632 1.106 . . . . 0.0 112.66 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -72.94 -34.8 66.78 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 118.861 0.755 . . . . 0.0 111.622 169.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -66.96 -20.95 65.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 170.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -80.02 -13.76 59.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.386 0.994 . . . . 0.0 112.877 169.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -95.02 -53.61 3.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.326 1.451 . . . . 0.0 111.931 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -151.32 -47.02 0.11 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.576 1.15 . . . . 0.0 112.945 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 9.22 87.0 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 126.112 1.815 . . . . 0.0 116.288 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.3 pt -95.7 -7.7 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -137.22 38.09 2.52 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 125.283 1.433 . . . . 0.0 112.662 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -134.49 115.66 14.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.183 0.993 . . . . 0.0 111.025 171.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.3 155.41 15.53 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.897 2.079 . . . . 0.0 111.354 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -116.54 135.93 53.4 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.366 1.466 . . . . 0.0 111.465 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.84 172.61 43.26 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 -174.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -154.23 173.65 15.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.911 1.684 . . . . 0.0 112.873 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.14 129.73 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 124.395 1.078 . . . . 0.0 110.384 172.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 156.93 31.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.459 1.104 . . . . 0.0 113.352 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -16.38 6.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.6 -33.02 72.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.663 1.585 . . . . 0.0 112.883 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -125.41 -177.01 3.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.537 1.935 . . . . 0.0 113.34 -170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.39 159.3 26.71 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 120.965 -1.084 . . . . 0.0 113.597 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.49 150.06 47.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.731 1.212 . . . . 0.0 112.674 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -79.75 133.99 36.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.287 1.035 . . . . 0.0 112.264 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.45 155.26 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.462 1.905 . . . . 0.0 111.929 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -151.58 127.46 10.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.185 1.394 . . . . 0.0 110.417 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -72.0 115.57 11.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.886 0.474 . . . . 0.0 110.308 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.11 -3.56 33.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.696 0.798 . . . . 0.0 112.705 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -101.32 -5.03 25.96 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.418 1.887 . . . . 0.0 114.713 171.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.87 19.14 67.27 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 116.467 1.347 . . . . 0.0 116.467 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -96.05 -15.07 22.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 120.13 1.965 . . . . 0.0 112.779 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.39 18.55 41.69 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 126.065 1.793 . . . . 0.0 115.886 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mt -123.53 133.38 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 124.733 1.213 . . . . 0.0 111.386 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -103.77 120.1 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.617 1.967 . . . . 0.0 109.598 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.76 -10.73 2.36 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -135.69 160.56 38.15 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.16 0.984 . . . . 0.0 113.141 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.68 62.96 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 124.397 0.999 . . . . 0.0 113.886 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.65 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.157 1.783 . . . . 0.0 114.286 172.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -93.37 17.29 11.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.158 1.383 . . . . 0.0 113.336 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.85 151.98 26.33 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 128.087 2.555 . . . . 0.0 110.665 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -85.73 113.42 21.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.238 0.615 . . . . 0.0 109.821 162.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.34 -140.76 3.79 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 125.833 1.682 . . . . 0.0 112.288 -166.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -79.31 -14.94 58.68 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.402 1.481 . . . . 0.0 114.833 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.48 27.35 6.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.793 1.637 . . . . 0.0 114.156 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 m -60.79 149.64 35.17 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.425 1.49 . . . . 0.0 112.426 -170.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -115.7 128.58 56.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.502 -1.373 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -73.14 162.26 29.63 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.936 0.894 . . . . 0.0 112.152 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.1 72.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.966 -1.083 . . . . 0.0 113.319 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.89 -8.99 58.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.096 1.359 . . . . 0.0 113.234 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.06 -1.17 60.78 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 125.924 1.726 . . . . 0.0 115.953 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -72.14 153.17 41.82 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 120.168 1.984 . . . . 0.0 113.031 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.79 143.52 39.78 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 111.296 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.37 120.49 16.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.299 1.439 . . . . 0.0 111.637 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -70.74 -23.17 62.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.706 1.602 . . . . 0.0 113.472 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 116.09 24.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.746 1.218 . . . . 0.0 112.453 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.18 -29.8 66.05 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 124.445 1.021 . . . . 0.0 114.868 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -37.96 62.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.292 1.546 . . . . 0.0 110.382 175.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.26 90.38 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 120.804 -1.185 . . . . 0.0 112.645 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.85 96.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.424 -0.798 . . . . 0.0 112.919 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.96 -37.41 79.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.114 0.966 . . . . 0.0 111.605 172.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.01 67.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -69.99 -8.64 50.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.6 mt -88.13 2.41 52.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -75.08 119.01 18.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 120.474 -1.392 . . . . 0.0 111.019 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -90.39 -16.32 29.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.534 1.533 . . . . 0.0 113.845 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.45 -14.12 14.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -165.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.42 34.6 79.99 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 125.424 1.488 . . . . 0.0 114.774 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -103.21 -3.21 26.06 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.251 1.82 . . . . 0.0 112.462 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 60.51 27.86 17.52 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 127.389 2.276 . . . . 0.0 114.606 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.99 159.16 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.839 1.656 . . . . 0.0 111.934 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -106.55 116.16 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 124.42 1.088 . . . . 0.0 109.429 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.25 175.92 13.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.254 1.821 . . . . 0.0 111.996 -167.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.43 17.52 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.18 -12.13 59.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -79.97 138.26 37.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 119.924 1.238 . . . . 0.0 114.338 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.02 -28.65 69.2 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.14 52.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.5 -36.76 71.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -78.46 -15.1 59.0 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.559 1.072 . . . . 0.0 113.68 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -83.43 -21.26 33.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.416 1.486 . . . . 0.0 112.802 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.68 135.63 39.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.772 0.829 . . . . 0.0 110.818 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -137.86 166.27 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.087 1.755 . . . . 0.0 110.476 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.98 135.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.204 1.402 . . . . 0.0 109.762 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -102.49 125.85 49.34 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.986 1.314 . . . . 0.0 110.406 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -125.25 117.78 24.57 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 125.958 1.703 . . . . 0.0 109.819 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -111.04 105.55 14.34 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 123.659 0.783 . . . . 0.0 111.82 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 53.1 mt -77.58 -10.68 59.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.102 0.961 . . . . 0.0 113.081 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.56 -17.75 12.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 56.26 33.13 21.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.613 1.965 . . . . 0.0 116.195 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -80.1 1.55 27.51 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.822 -1.174 . . . . 0.0 113.465 171.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.85 7.08 58.3 Favored Glycine 0 N--CA 1.445 -0.73 0 O-C-N 120.583 -1.323 . . . . 0.0 115.223 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.74 134.91 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 126.715 2.006 . . . . 0.0 109.143 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.2 p -87.89 128.01 35.36 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 0.0 111.279 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.17 152.43 36.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.253 1.421 . . . . 0.0 110.273 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.41 -32.3 68.52 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -64.83 -22.98 67.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.17 5.83 28.38 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.516 1.526 . . . . 0.0 113.554 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -105.02 126.5 52.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.674 1.59 . . . . 0.0 111.76 -170.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -110.09 143.85 39.55 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.412 1.885 . . . . 0.0 110.285 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -73.93 164.61 26.4 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.679 0.792 . . . . 0.0 110.532 158.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.83 -33.23 75.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.279 -0.888 . . . . 0.0 111.33 169.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.15 -37.58 57.78 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.28 -17.72 61.86 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.7 -10.4 55.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.099 1.36 . . . . 0.0 113.389 167.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 33.41 80.17 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 125.339 1.447 . . . . 0.0 113.876 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.55 137.99 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 C-N-CA 124.318 1.047 . . . . 0.0 109.435 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.86 -43.65 3.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.343 1.457 . . . . 0.0 112.093 -173.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.9 m -153.96 151.69 29.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.885 1.274 . . . . 0.0 113.102 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.76 140.36 48.96 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.774 1.63 . . . . 0.0 110.345 168.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -92.72 134.56 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.896 0.879 . . . . 0.0 111.654 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.1 -5.49 52.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.011 1.324 . . . . 0.0 114.389 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.84 113.39 22.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.243 1.417 . . . . 0.0 111.243 174.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -130.11 168.13 17.26 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.966 1.306 . . . . 0.0 113.099 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -142.02 152.14 43.11 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.839 2.055 . . . . 0.0 111.074 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -80.12 132.4 35.93 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.088 0.955 . . . . 0.0 112.516 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.58 -25.68 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.102 1.361 . . . . 0.0 114.034 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 45.73 42.44 8.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 126.209 1.804 . . . . 0.0 115.463 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -83.43 121.49 27.25 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 126.797 2.039 . . . . 0.0 112.08 -172.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.63 137.2 56.55 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.205 -0.934 . . . . 0.0 111.839 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.4 mt -110.64 -8.76 14.57 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.697 1.599 . . . . 0.0 114.186 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 96.99 164.66 32.54 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 125.433 1.492 . . . . 0.0 113.605 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.68 30.77 9.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.026 1.731 . . . . 0.0 114.114 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.72 90.55 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -94.11 151.38 19.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.878 1.839 . . . . 0.0 112.105 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.4 m -141.93 137.33 31.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.28 1.032 . . . . 0.0 111.474 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 22.6 tp -91.33 113.77 26.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.426 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.24 -57.56 3.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -131.24 135.51 47.42 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.442 1.497 . . . . 0.0 111.454 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -122.18 144.9 48.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 112.009 -172.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.33 -162.87 9.42 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 127.826 2.631 . . . . 0.0 111.248 166.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.8 m -131.69 151.42 51.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.866 -1.373 . . . . 0.0 114.297 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -123.69 159.56 29.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.575 1.15 . . . . 0.0 111.63 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.6 m -118.31 134.77 54.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.982 1.713 . . . . 0.0 110.906 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -96.47 158.76 15.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.873 1.669 . . . . 0.0 111.839 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.7 p -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -77.62 3.75 13.04 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.62 0.79 87.84 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 125.341 1.448 . . . . 0.0 115.807 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.0 p -80.21 159.21 26.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 119.449 1.625 . . . . 0.0 112.611 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.1 p -127.71 147.12 50.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.042 1.337 . . . . 0.0 112.536 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.54 168.54 23.95 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.655 1.982 . . . . 0.0 109.857 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.06 154.19 24.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -171.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.2 ptm -139.6 156.39 46.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.497 1.919 . . . . 0.0 109.727 169.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.33 41.07 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 117.261 1.664 . . . . 0.0 117.261 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.79 107.81 19.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.063 2.145 . . . . 0.0 111.454 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.28 148.09 22.79 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 125.045 1.338 . . . . 0.0 113.962 -171.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.09 120.43 41.27 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.769 2.428 . . . . 0.0 107.509 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.7 mt -110.63 147.47 34.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.441 0.697 . . . . 0.0 111.679 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.07 30.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -160.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -92.25 170.59 9.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 -159.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.14 150.31 37.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.564 1.545 . . . . 0.0 112.77 173.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.69 119.27 7.45 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.935 1.694 . . . . 0.0 109.653 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 76.5 mt -138.8 -15.8 1.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.883 1.673 . . . . 0.0 113.372 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -77.94 -33.3 51.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.57 1.548 . . . . 0.0 113.304 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 37.4 m -81.69 44.05 0.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.276 2.231 . . . . 0.0 113.76 -171.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -61.81 -24.52 66.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 6.0 t80 61.31 -37.96 0.11 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 129.739 3.216 . . . . 0.0 117.725 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 58.8 mt -117.04 -10.9 10.82 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 126.277 1.831 . . . . 0.0 112.952 -168.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.45 1.9 . . . . 0.0 113.493 -162.592 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.0 m -133.75 143.9 48.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.703 1.201 . . . . 0.0 110.108 172.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -105.89 160.45 15.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.92 165.23 34.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.38 1.872 . . . . 0.0 111.15 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tt -98.32 121.27 40.05 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 124.766 1.226 . . . . 0.0 109.122 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.15 146.67 41.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.36 1.464 . . . . 0.0 111.97 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.27 137.1 51.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.382 1.873 . . . . 0.0 110.353 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -77.51 103.46 7.45 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.178 1.391 . . . . 0.0 109.355 166.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -90.18 -34.88 15.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.082 -1.011 . . . . 0.0 113.251 -170.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -84.8 -19.04 33.16 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.217 1.372 . . . . 0.0 113.623 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.07 55.52 2.49 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 119.649 1.113 . . . . 0.0 114.206 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -140.33 10.8 2.33 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.01 147.53 11.67 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 126.378 1.942 . . . . 0.0 113.205 -172.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.96 130.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.373 -1.075 . . . . 0.0 109.216 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -127.5 145.78 50.73 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.8 p -119.73 158.66 26.04 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 124.873 1.269 . . . . 0.0 112.234 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.03 151.44 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 126.016 1.726 . . . . 0.0 111.217 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 136.8 44.21 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 123.227 0.611 . . . . 0.0 110.19 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 p -65.17 157.47 28.66 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -167.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 60.07 -3.41 0.12 Allowed 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.545 2.738 . . . . 0.0 118.254 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.63 79.37 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 119.28 0.945 . . . . 0.0 113.921 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -159.89 133.82 7.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.656 1.582 . . . . 0.0 110.371 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -85.99 -2.81 58.65 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.27 172.6 47.97 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 118.866 0.757 . . . . 0.0 113.172 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 p -148.17 -47.41 0.16 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.002 1.321 . . . . 0.0 112.453 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -153.15 144.34 23.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.853 1.661 . . . . 0.0 111.983 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -156.47 151.2 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.852 0.861 . . . . 0.0 112.546 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.05 154.26 7.84 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.688 1.995 . . . . 0.0 114.171 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -105.23 -7.6 18.87 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -171.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -82.78 -11.87 57.95 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -163.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -122.01 142.8 49.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.323 1.449 . . . . 0.0 112.974 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -78.48 145.29 35.07 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.607 1.963 . . . . 0.0 113.052 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.08 18.2 57.04 Favored Glycine 0 C--O 1.22 -0.767 0 C-N-CA 125.396 1.474 . . . . 0.0 115.716 163.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -78.22 -18.24 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.744 1.618 . . . . 0.0 113.416 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -135.12 134.14 39.94 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.894 1.678 . . . . 0.0 110.56 168.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 p -142.73 146.49 34.39 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 124.706 1.203 . . . . 0.0 111.856 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.81 166.58 0.05 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 127.813 2.445 . . . . 0.0 116.723 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.0 m -130.78 -17.51 3.18 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.784 1.634 . . . . 0.0 113.357 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.19 150.21 18.79 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 114.534 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -147.25 172.36 13.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.285 2.234 . . . . 0.0 111.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.7 t -84.62 135.19 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 124.89 1.276 . . . . 0.0 111.716 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 145.34 17.7 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.722 1.609 . . . . 0.0 112.589 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.44 -16.13 63.87 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -80.49 -10.64 59.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.401 1.48 . . . . 0.0 114.093 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -116.08 178.26 4.38 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.292 2.637 . . . . 0.0 111.693 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.25 167.9 37.03 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 120.686 -1.259 . . . . 0.0 115.703 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.53 136.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.221 1.808 . . . . 0.0 111.325 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 tp -77.24 135.58 38.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 170.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.04 153.21 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 119.544 1.065 . . . . 0.0 113.378 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -136.92 158.66 43.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.401 1.881 . . . . 0.0 109.989 164.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.13 113.06 25.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.58 -20.53 60.59 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.637 1.575 . . . . 0.0 114.816 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.3 p30 -116.13 -9.8 11.61 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.192 1.397 . . . . 0.0 114.157 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.82 85.98 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 125.879 1.704 . . . . 0.0 116.708 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -79.49 -10.7 59.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 120.124 1.962 . . . . 0.0 114.735 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.29 9.0 84.45 Favored Glycine 0 C--N 1.338 0.663 0 O-C-N 120.244 -1.535 . . . . 0.0 116.272 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.63 148.45 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 126.231 1.813 . . . . 0.0 109.606 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.75 127.71 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.282 -1.512 . . . . 0.0 110.816 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.54 -22.56 8.07 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 125.795 1.638 . . . . 0.0 113.669 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -148.75 151.25 34.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.843 1.257 . . . . 0.0 111.501 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.23 -19.47 52.24 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 124.952 1.263 . . . . 0.0 114.639 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -17.18 33.41 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 170.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.63 -13.73 60.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 120.028 1.285 . . . . 0.0 113.952 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.76 146.0 24.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.85 1.66 . . . . 0.0 109.51 171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -76.75 102.87 6.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.499 -0.751 . . . . 0.0 110.299 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.55 174.41 41.31 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 125.899 1.714 . . . . 0.0 111.045 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.47 -10.99 60.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -164.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -91.81 6.38 46.27 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.065 1.346 . . . . 0.0 113.764 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -78.33 163.86 25.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.772 -1.205 . . . . 0.0 114.231 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -104.97 156.88 17.63 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.71 1.604 . . . . 0.0 112.104 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.99 166.38 22.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.801 1.641 . . . . 0.0 110.705 164.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.59 -20.84 65.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -87.79 6.28 36.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.762 1.225 . . . . 0.0 114.048 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.05 -5.19 85.63 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 125.422 1.487 . . . . 0.0 115.881 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 m -67.86 144.83 55.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 119.842 1.821 . . . . 0.0 112.3 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -72.05 126.92 30.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 121.432 -0.792 . . . . 0.0 110.943 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.57 144.44 35.55 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -72.16 -25.26 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.27 1.028 . . . . 0.0 113.718 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -157.51 160.6 38.4 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.983 2.513 . . . . 0.0 109.019 166.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.6 62.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -67.77 -31.11 70.78 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 125.023 1.329 . . . . 0.0 113.172 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.06 71.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.895 -1.128 . . . . 0.0 113.616 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.91 52.35 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.498 1.119 . . . . 0.0 113.585 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.72 -43.31 31.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.04 0.936 . . . . 0.0 111.656 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.45 73.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -70.49 -5.69 30.66 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.97 -18.95 57.9 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.157 0.983 . . . . 0.0 113.46 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -67.82 124.69 24.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.092 0.957 . . . . 0.0 111.219 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.4 p -91.06 -35.59 14.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -110.56 -6.98 14.76 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.655 1.982 . . . . 0.0 114.709 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.95 22.09 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.456 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -101.37 1.91 39.01 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.814 1.646 . . . . 0.0 113.309 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.256 0.9 OUTLIER 67.98 21.63 8.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.663 2.385 . . . . 0.0 115.56 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -133.86 148.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 125.344 1.457 . . . . 0.0 111.912 168.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mm -100.0 103.07 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -135.51 172.68 12.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -166.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.96 -17.51 6.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.137 1.902 . . . . 0.0 116.137 -169.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.31 -26.73 32.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 120.049 1.295 . . . . 0.0 114.323 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -68.2 137.49 54.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 120.417 -1.427 . . . . 0.0 112.273 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.41 70.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.147 -0.971 . . . . 0.0 113.287 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -25.06 60.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 124.665 1.186 . . . . 0.0 114.107 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.66 -25.94 68.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -81.14 -29.52 34.73 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -92.76 -28.98 16.26 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 125.088 1.355 . . . . 0.0 114.241 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.9 148.48 25.45 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.038 1.335 . . . . 0.0 112.206 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -133.96 165.05 25.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.099 1.36 . . . . 0.0 110.836 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.7 t -114.26 131.08 67.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 C-N-CA 125.602 1.561 . . . . 0.0 108.935 167.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -117.59 135.9 53.65 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.162 1.785 . . . . 0.0 112.396 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -140.1 147.3 40.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.605 1.962 . . . . 0.0 107.575 165.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -138.85 114.61 9.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.194 0.998 . . . . 0.0 110.724 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.4 -22.81 58.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.272 0.629 . . . . 0.0 112.156 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -98.64 -11.71 21.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.37 1.468 . . . . 0.0 113.177 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 51.52 42.55 29.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.236 1.415 . . . . 0.0 113.893 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -110.3 17.92 20.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.234 1.414 . . . . 0.0 113.701 -169.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 5.65 80.4 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 168.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.5 mt -133.11 143.57 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 C-N-CA 126.961 2.105 . . . . 0.0 108.884 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.9 p -97.34 167.97 10.69 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.428 1.491 . . . . 0.0 114.309 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -142.15 164.04 31.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.379 2.272 . . . . 0.0 109.463 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.83 89.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -67.58 -23.93 65.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -81.85 -11.06 59.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.311 1.444 . . . . 0.0 112.817 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.48 136.9 52.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.704 2.002 . . . . 0.0 111.849 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -135.9 149.35 48.94 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.607 1.563 . . . . 0.0 110.765 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.6 p -84.35 154.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.375 1.07 . . . . 0.0 111.711 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.04 -31.84 71.47 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.991 0.916 . . . . 0.0 111.366 170.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.05 -49.43 74.61 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.26 1.424 . . . . 0.0 112.654 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -24.8 63.72 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.073 -1.017 . . . . 0.0 112.867 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.84 -2.33 32.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 168.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.72 22.67 76.87 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-N 119.644 1.111 . . . . 0.0 114.278 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.2 mt -83.0 146.85 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 109.351 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -113.59 -41.81 3.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.567 1.547 . . . . 0.0 112.812 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -147.89 146.24 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.7 mt -110.46 122.21 47.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.205 2.202 . . . . 0.0 107.94 162.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -93.47 124.62 37.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 118.797 0.726 . . . . 0.0 111.665 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.7 -8.97 57.99 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.11 117.3 13.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 120.158 1.344 . . . . 0.0 112.644 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -109.63 150.53 28.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 114.56 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -111.32 144.41 40.56 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 128.109 2.564 . . . . 0.0 109.723 164.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -82.44 136.31 34.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.855 0.862 . . . . 0.0 112.282 172.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.6 -26.3 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 36.94 57.07 1.21 Allowed 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.329 2.252 . . . . 0.0 115.714 168.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -120.18 146.87 45.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 126.021 1.728 . . . . 0.0 114.387 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -84.89 120.14 26.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.497 1.519 . . . . 0.0 110.839 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.5 mt -88.8 -7.05 56.89 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.011 1.324 . . . . 0.0 113.724 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.04 144.07 4.45 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 126.359 1.933 . . . . 0.0 111.554 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 46.2 35.13 2.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 115.689 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 12.97 72.44 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.55 123.67 33.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.968 1.384 . . . . 0.0 109.73 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 83.1 m -123.45 122.57 38.58 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -163.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 tp -92.35 117.58 30.05 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.435 1.894 . . . . 0.0 109.632 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.37 -53.48 4.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.147 0.979 . . . . 0.0 112.968 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -130.52 153.74 48.52 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 124.704 1.202 . . . . 0.0 110.748 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -135.87 140.99 44.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.358 1.463 . . . . 0.0 111.645 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.6 -163.14 9.56 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 127.608 2.528 . . . . 0.0 111.303 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -138.52 158.33 44.46 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -121.91 151.96 40.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 126.42 1.888 . . . . 0.0 110.607 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 17.1 m -116.85 136.79 52.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.828 1.651 . . . . 0.0 110.59 -172.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.34 159.14 15.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.259 1.823 . . . . 0.0 113.013 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 75.8 p -66.58 -18.04 65.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -78.0 -8.28 57.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.001 1.32 . . . . 0.0 114.527 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 96.13 0.88 61.43 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 125.971 1.748 . . . . 0.0 115.92 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -83.86 159.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 119.704 1.752 . . . . 0.0 112.926 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.0 p -130.11 153.09 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.265 1.426 . . . . 0.0 112.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.24 162.91 39.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.826 1.25 . . . . 0.0 112.524 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -78.56 152.23 32.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.767 1.627 . . . . 0.0 114.946 -169.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -147.9 160.33 42.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.031 1.732 . . . . 0.0 111.444 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.05 176.75 48.15 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 117.582 1.793 . . . . 0.0 117.582 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -90.11 107.67 19.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.246 2.218 . . . . 0.0 111.404 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -123.7 116.55 23.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.76 1.624 . . . . 0.0 111.124 -162.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 66.0 tp -88.04 116.36 26.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.553 1.941 . . . . 0.0 109.688 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.14 147.6 22.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.307 1.043 . . . . 0.0 111.68 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.67 41.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.861 1.264 . . . . 0.0 113.661 -172.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -73.4 173.98 8.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.64 1.576 . . . . 0.0 111.693 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -64.22 128.41 35.69 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.293 1.437 . . . . 0.0 111.911 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -85.04 54.19 3.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.977 1.311 . . . . 0.0 112.457 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 92.8 mt -117.18 129.32 55.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.996 1.718 . . . . 0.0 109.368 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -117.09 -13.39 10.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.36 1.464 . . . . 0.0 113.989 -166.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 67.7 m -86.68 82.32 7.92 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.423 1.089 . . . . 0.0 109.016 165.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -107.11 133.01 52.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.003 -166.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -147.73 -34.07 0.25 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.306 1.442 . . . . 0.0 113.392 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 68.3 mt -106.16 -47.44 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -163.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.338 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -169.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.9 p -150.05 21.58 0.87 Allowed 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.271 1.428 . . . . 0.0 114.799 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 168.99 6.1 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -128.71 169.16 14.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.777 2.431 . . . . 0.0 111.761 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.15 122.28 43.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.38 1.072 . . . . 0.0 111.445 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.48 152.42 40.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.746 1.618 . . . . 0.0 114.162 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -125.78 144.13 50.76 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.205 2.202 . . . . 0.0 111.622 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -87.72 94.81 9.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.48 -14.06 36.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -164.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -102.7 -7.81 21.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 119.979 1.263 . . . . 0.0 113.465 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.52 28.6 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 168.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -122.19 19.57 10.68 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 120.212 2.006 . . . . 0.0 114.037 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.86 151.62 26.97 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.935 2.207 . . . . 0.0 113.639 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.45 130.82 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.395 1.078 . . . . 0.0 109.914 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -125.65 149.12 48.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.819 1.648 . . . . 0.0 112.461 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.8 p -127.82 153.54 46.47 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.326 1.45 . . . . 0.0 112.373 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.86 165.94 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 127.169 2.188 . . . . 0.0 110.697 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.16 151.63 46.12 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 121.55 -0.719 . . . . 0.0 110.781 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 p -68.5 137.66 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.707 -0.621 . . . . 0.0 110.243 164.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -133.05 -18.35 2.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.721 2.008 . . . . 0.0 114.146 -168.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 -16.19 80.97 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.979 1.551 . . . . 0.0 116.979 -169.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.18 174.23 10.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 119.61 1.705 . . . . 0.0 114.362 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 m -79.67 24.98 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -166.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.93 -174.68 52.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 125.173 1.368 . . . . 0.0 115.691 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 m -114.6 55.85 0.74 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.833 2.053 . . . . 0.0 110.635 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -90.89 -44.51 9.34 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.015 1.326 . . . . 0.0 113.043 -167.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -135.77 163.07 31.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.461 1.505 . . . . 0.0 112.86 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.91 124.62 21.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.099 0.96 . . . . 0.0 113.326 -172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -98.09 2.81 49.06 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.313 1.445 . . . . 0.0 114.054 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 59.11 41.68 20.15 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 125.01 1.324 . . . . 0.0 113.257 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 54.83 35.49 24.33 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 127.044 2.138 . . . . 0.0 114.869 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.46 61.12 1.24 Allowed 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 127.026 2.13 . . . . 0.0 112.522 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.37 -151.28 52.22 Favored Glycine 0 C--N 1.337 0.603 0 O-C-N 120.64 -1.287 . . . . 0.0 115.59 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.18 15.48 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -159.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.24 -6.55 14.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 O-C-N 118.991 -2.318 . . . . 0.0 115.491 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -18.56 59.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.697 1.599 . . . . 0.0 113.189 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 129.94 40.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p -107.32 -24.74 11.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.098 2.159 . . . . 0.0 113.322 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.15 153.45 19.45 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 125.096 1.332 . . . . 0.0 114.952 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -147.34 171.58 15.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.279 1.831 . . . . 0.0 112.306 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.54 135.51 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.067 1.347 . . . . 0.0 110.677 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -55.18 151.61 9.18 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.1 1.36 . . . . 0.0 113.319 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.52 -11.14 59.47 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.98 -5.28 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.617 1.167 . . . . 0.0 113.23 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -122.87 179.78 4.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 129.126 2.97 . . . . 0.0 112.215 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.74 -174.65 34.71 Favored Glycine 0 CA--C 1.524 0.623 0 O-C-N 120.349 -1.469 . . . . 0.0 115.898 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.8 mt -117.62 147.88 42.46 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 126.19 1.796 . . . . 0.0 112.372 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -83.87 129.52 34.93 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.262 1.025 . . . . 0.0 110.677 170.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.9 161.74 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.754 1.622 . . . . 0.0 112.525 -172.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -151.33 128.69 11.3 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 125.123 1.369 . . . . 0.0 111.758 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.24 113.46 15.01 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.757 -0.589 . . . . 0.0 110.091 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -76.47 -1.81 29.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.088 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.5 -17.32 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.649 1.58 . . . . 0.0 113.496 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 25.14 56.7 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -108.22 -7.94 15.86 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.969 1.884 . . . . 0.0 113.563 170.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.52 26.12 31.06 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.961 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.54 126.48 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 119.052 1.426 . . . . 0.0 110.819 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm -97.97 123.96 50.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 126.031 1.733 . . . . 0.0 108.576 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.32 -24.09 0.11 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -86.94 143.85 27.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.057 1.343 . . . . 0.0 110.402 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.71 -26.26 64.68 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 120.499 -1.375 . . . . 0.0 114.797 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.17 -9.43 58.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -86.26 6.35 30.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.798 1.239 . . . . 0.0 113.891 -171.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.42 157.29 17.13 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.877 2.071 . . . . 0.0 110.544 164.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -84.52 136.49 33.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 162.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.12 40.69 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.089 0.796 . . . . 0.0 115.089 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.96 -22.7 67.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -91.06 -6.1 54.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.459 1.104 . . . . 0.0 113.301 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.8 m -68.13 139.59 56.16 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.745 -1.222 . . . . 0.0 110.685 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -112.46 151.86 29.41 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -83.13 167.76 17.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 127.548 2.339 . . . . 0.0 110.287 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -34.69 66.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -96.98 7.27 47.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.759 1.224 . . . . 0.0 113.864 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.49 -1.17 57.04 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 m -66.19 152.41 44.89 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 120.373 2.086 . . . . 0.0 111.271 166.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -76.68 147.69 37.3 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.166 -0.959 . . . . 0.0 111.348 171.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.3 66.35 6.51 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.551 1.54 . . . . 0.0 110.481 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.37 -30.51 69.47 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.163 1.385 . . . . 0.0 114.356 -172.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -77.52 136.41 38.31 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 123.338 0.655 . . . . 0.0 109.945 162.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -0.77 28.56 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 -171.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -111.59 -10.8 14.1 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.884 2.073 . . . . 0.0 113.799 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -34.88 76.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.44 73.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.626 -0.671 . . . . 0.0 111.733 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.38 -33.45 75.88 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.335 1.054 . . . . 0.0 112.93 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.82 -26.95 68.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.72 -17.9 57.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.208 -0.933 . . . . 0.0 112.993 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.22 -13.0 23.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.097 1.759 . . . . 0.0 113.838 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -66.9 123.84 21.31 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.952 0.901 . . . . 0.0 110.434 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.9 p -91.54 -29.43 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -110.53 -6.28 14.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.266 1.426 . . . . 0.0 114.125 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.21 20.13 73.14 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 118.434 -1.203 . . . . 0.0 115.267 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -76.74 -2.72 34.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 119.293 1.547 . . . . 0.0 113.125 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 t30 67.85 23.39 8.44 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.451 1.9 . . . . 0.0 114.199 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.77 149.32 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.172 1.389 . . . . 0.0 111.387 166.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mm -94.37 120.74 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 164.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -146.88 170.64 16.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.271 1.428 . . . . 0.0 110.895 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.9 -17.56 17.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.28 -14.03 57.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -79.37 129.41 34.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.85 -1.156 . . . . 0.0 112.049 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.41 68.32 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.765 -1.21 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.62 -19.4 65.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -56.12 -35.43 67.08 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.741 -1.224 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.21 -20.04 63.97 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t -74.29 -24.99 59.33 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.131 0.973 . . . . 0.0 112.41 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -72.57 140.94 48.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.215 1.006 . . . . 0.0 113.42 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.29 172.33 12.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.321 2.648 . . . . 0.0 109.322 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.65 144.58 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.553 1.541 . . . . 0.0 109.857 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -121.9 125.65 46.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.022 1.329 . . . . 0.0 111.658 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -120.12 100.3 7.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.394 1.478 . . . . 0.0 108.949 172.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 119.63 11.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.723 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.22 -15.91 39.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.254 1.022 . . . . 0.0 113.575 -166.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.91 -7.99 11.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 171.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 59.56 65.2 1.19 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.565 2.346 . . . . 0.0 114.45 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -116.62 -12.78 10.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 168.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.87 11.02 82.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 119.12 0.873 . . . . 0.0 114.55 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.27 125.27 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.259 1.423 . . . . 0.0 107.529 168.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.11 145.98 27.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 119.002 0.819 . . . . 0.0 113.012 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -135.2 155.25 50.99 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 110.479 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.59 72.75 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -167.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.91 -10.13 59.2 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.36 -8.68 58.92 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 112.668 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.3 mt -89.45 152.62 21.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.183 1.393 . . . . 0.0 112.473 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.29 148.41 44.64 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.683 1.993 . . . . 0.0 110.366 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.4 p -71.12 165.2 24.05 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.4 1.08 . . . . 0.0 111.924 164.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.1 -31.17 71.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.58 0.752 . . . . 0.0 111.527 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.77 -42.88 69.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.478 1.111 . . . . 0.0 113.411 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.82 -13.83 61.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -100.29 -1.65 35.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.755 2.022 . . . . 0.0 112.642 170.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.95 34.53 89.16 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 124.915 1.245 . . . . 0.0 114.68 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.12 129.29 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.892 1.677 . . . . 0.0 108.52 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -101.51 -59.67 1.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.161 1.384 . . . . 0.0 111.4 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 p -150.69 157.91 43.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.349 1.059 . . . . 0.0 113.03 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.32 130.02 56.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.751 1.62 . . . . 0.0 109.428 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.65 121.94 32.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.367 1.067 . . . . 0.0 111.167 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.6 -4.57 59.2 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.22 102.66 11.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 119.436 1.016 . . . . 0.0 110.248 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -98.41 157.78 15.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.248 1.419 . . . . 0.0 112.622 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -123.63 142.67 50.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 127.374 2.269 . . . . 0.0 109.129 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.86 145.51 34.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.43 0.559 . . . . 0.0 110.923 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.94 -26.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 C-N-CA 125.093 1.357 . . . . 0.0 113.46 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 32.02 65.15 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 128.006 2.522 . . . . 0.0 114.577 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.48 148.39 42.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.948 1.299 . . . . 0.0 114.178 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -70.86 127.65 33.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 166.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.5 mt -81.91 -41.07 21.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.875 0.87 . . . . 0.0 110.815 171.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 162.04 157.58 9.02 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 126.108 1.813 . . . . 0.0 111.481 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 50.86 32.21 7.01 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.952 1.701 . . . . 0.0 114.732 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.84 2.02 89.77 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 124.96 1.267 . . . . 0.0 115.888 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -84.1 133.39 34.63 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 119.418 1.609 . . . . 0.0 109.433 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 91.2 m -142.43 125.76 16.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.536 -0.728 . . . . 0.0 111.975 -162.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.56 122.95 44.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 109.321 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.88 -47.62 7.49 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 121.432 -0.793 . . . . 0.0 112.817 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -131.52 152.11 51.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.69 1.196 . . . . 0.0 111.55 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -134.7 141.74 46.61 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.742 1.617 . . . . 0.0 110.899 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.34 -157.48 7.17 Favored Glycine 0 C--N 1.341 0.809 0 C-N-CA 128.446 2.927 . . . . 0.0 110.583 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 80.8 p -146.98 166.46 26.74 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -123.75 147.83 47.16 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.0 1.32 . . . . 0.0 110.023 165.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.2 m -95.85 138.43 33.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.467 1.507 . . . . 0.0 110.347 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -101.88 158.54 16.06 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 126.672 1.989 . . . . 0.0 111.669 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.3 p -63.53 -24.76 67.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.496 1.118 . . . . 0.0 113.599 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -78.77 -9.34 59.4 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 99.36 -1.79 57.41 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 126.011 1.767 . . . . 0.0 116.487 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -79.25 167.47 20.9 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 119.559 1.679 . . . . 0.0 112.414 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.8 p -120.54 152.78 37.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.439 1.096 . . . . 0.0 111.71 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.48 154.76 45.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.988 1.315 . . . . 0.0 112.386 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -71.85 154.1 41.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 123.171 1.462 . . . . 0.0 113.918 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -145.81 166.05 27.05 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.435 1.894 . . . . 0.0 110.047 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.56 -178.7 45.59 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.421 1.728 . . . . 0.0 117.421 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -102.78 106.17 16.72 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 128.006 2.523 . . . . 0.0 108.826 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.0 tp -129.13 116.48 19.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.912 1.285 . . . . 0.0 112.852 -158.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -82.32 119.19 23.81 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.45 1.1 . . . . 0.0 109.88 169.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -92.6 149.95 21.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 111.487 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -75.64 141.37 42.81 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.898 0.879 . . . . 0.0 113.324 -172.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -141.57 149.85 41.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.67 1.588 . . . . 0.0 110.501 169.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.23 140.68 58.46 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.349 1.06 . . . . 0.0 112.424 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -68.04 -28.59 67.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.877 1.271 . . . . 0.0 113.792 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.3 mt -117.48 -23.82 7.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.077 1.351 . . . . 0.0 113.997 -165.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -67.32 161.1 25.79 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.1 m -53.58 144.12 18.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.785 1.634 . . . . 0.0 113.411 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -88.29 170.46 10.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.502 0.721 . . . . 0.0 112.577 -168.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -144.03 -13.14 0.63 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.7 mt -123.48 5.51 8.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.162 1.785 . . . . 0.0 113.826 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.412 1.085 . . . . 0.0 113.285 -171.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.9 m -105.85 108.22 19.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 110.947 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -134.28 108.0 7.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.387 1.875 . . . . 0.0 109.229 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.81 163.13 39.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.374 1.07 . . . . 0.0 113.628 -161.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.5 118.14 23.57 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 121.595 -0.691 . . . . 0.0 110.545 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.11 152.02 36.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.546 1.938 . . . . 0.0 113.859 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -123.41 140.27 53.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.261 2.224 . . . . 0.0 110.628 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -82.33 101.86 10.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.391 1.476 . . . . 0.0 110.428 169.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.53 -12.47 31.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -167.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -105.95 -14.75 15.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 120.304 1.411 . . . . 0.0 114.132 167.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.79 36.56 7.77 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 119.735 1.152 . . . . 0.0 115.614 170.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -127.33 16.04 7.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 119.275 1.537 . . . . 0.0 114.157 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.49 149.92 24.02 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 126.835 2.16 . . . . 0.0 113.603 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.31 132.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 124.326 1.051 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.47 166.4 25.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.1 p -138.2 162.28 34.67 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.723 1.209 . . . . 0.0 113.987 -165.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.89 163.66 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 127.22 2.208 . . . . 0.0 111.115 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.4 159.25 21.35 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.35 1.46 . . . . 0.0 111.791 167.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -81.34 126.28 31.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.473 -0.767 . . . . 0.0 110.621 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -141.64 170.34 15.91 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.831 2.053 . . . . 0.0 111.743 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -35.18 77.5 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 118.811 0.732 . . . . 0.0 113.716 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.78 83.48 2.14 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.093 1.757 . . . . 0.0 109.361 164.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -67.05 142.16 57.27 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.371 1.068 . . . . 0.0 112.685 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.74 -19.36 35.49 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 115.075 0.79 . . . . 0.0 115.075 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -66.35 -17.69 64.92 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.722 2.009 . . . . 0.0 115.527 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 tp -131.12 -25.74 2.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.337 1.055 . . . . 0.0 112.683 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -117.14 85.9 2.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.417 1.887 . . . . 0.0 109.614 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.08 -10.09 57.58 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -160.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -72.81 -11.84 60.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.007 -1.058 . . . . 0.0 113.338 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.53 32.72 1.34 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.726 1.61 . . . . 0.0 112.488 171.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -111.48 23.28 14.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 127.232 2.213 . . . . 0.0 112.959 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -82.68 156.03 24.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.312 1.845 . . . . 0.0 113.176 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.34 -128.73 8.61 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 125.225 1.393 . . . . 0.0 114.038 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.57 136.12 26.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 C-N-CA 124.834 1.254 . . . . 0.0 109.449 169.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -85.01 -2.42 57.95 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -125.82 154.08 43.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.311 1.445 . . . . 0.0 112.744 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.83 -175.69 5.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.414 1.486 . . . . 0.0 111.744 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -98.41 105.17 17.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.257 1.423 . . . . 0.0 112.294 174.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.59 -104.59 0.21 Allowed Glycine 0 C--N 1.34 0.8 0 O-C-N 121.663 -0.648 . . . . 0.0 114.003 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -129.98 170.42 13.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.883 1.673 . . . . 0.0 112.9 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.63 136.27 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 120.521 -1.362 . . . . 0.0 110.729 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 t -55.94 147.19 20.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.95 -7.56 36.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -85.88 -5.54 59.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.731 1.151 . . . . 0.0 113.559 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -121.16 -173.09 2.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.174 3.39 . . . . 0.0 111.767 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.64 175.63 45.03 Favored Glycine 0 C--N 1.334 0.458 0 O-C-N 120.51 -1.369 . . . . 0.0 116.366 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -106.83 142.61 36.19 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.188 1.395 . . . . 0.0 112.786 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 tp -78.89 130.75 35.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.293 1.037 . . . . 0.0 111.092 171.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -146.92 160.19 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 124.905 1.282 . . . . 0.0 113.053 -166.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -142.77 134.23 26.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.673 1.989 . . . . 0.0 110.18 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.74 125.76 29.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 118.551 0.614 . . . . 0.0 111.063 168.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.66 2.59 28.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.857 1.663 . . . . 0.0 114.707 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.29 8.27 3.97 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.43 24.6 76.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -97.02 -2.44 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.562 1.545 . . . . 0.0 114.116 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.51 78.28 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 126.25 1.881 . . . . 0.0 115.081 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.76 150.0 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 126.59 1.956 . . . . 0.0 110.346 -170.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm -97.69 115.23 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.077 1.351 . . . . 0.0 109.192 170.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.72 1.29 0.58 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -128.45 148.68 50.74 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 110.6 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -30.91 78.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 -170.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.63 -7.29 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.49 -10.04 59.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 113.117 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.21 149.7 22.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 126.658 1.983 . . . . 0.0 110.622 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -70.6 146.61 49.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.51 -0.744 . . . . 0.0 110.35 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.25 -172.53 40.87 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 121.598 -0.689 . . . . 0.0 112.822 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.59 -32.9 67.63 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -83.07 1.65 39.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 m -67.71 130.96 44.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.538 1.063 . . . . 0.0 111.19 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HE2' ' HA2' ' A' ' 71' ' ' GLY . 76.9 tttt -91.86 138.71 31.32 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.582 1.153 . . . . 0.0 110.64 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.4 mt -89.76 162.39 15.56 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 125.627 1.571 . . . . 0.0 110.988 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -17.9 60.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.29 -15.73 30.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.053 1.341 . . . . 0.0 113.486 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.435 ' HA2' ' HE2' ' A' ' 67' ' ' LYS . . . 110.81 -12.6 29.73 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.877 1.703 . . . . 0.0 116.79 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.7 m -69.17 164.78 21.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.245 1.523 . . . . 0.0 112.551 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.75 154.78 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 124.418 1.087 . . . . 0.0 111.852 171.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 161.65 29.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -170.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -73.92 -34.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.208 1.403 . . . . 0.0 112.88 171.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -175.69 175.14 2.1 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 130.167 3.387 . . . . 0.0 108.644 175.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.51 -28.72 73.55 Favored Glycine 0 N--CA 1.442 -0.917 0 O-C-N 120.441 -1.412 . . . . 0.0 115.407 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -36.68 57.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 118.56 1.18 . . . . 0.0 111.986 177.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -33.27 74.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.235 -0.916 . . . . 0.0 112.881 172.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.61 92.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 121.3 -0.875 . . . . 0.0 112.009 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.89 -38.07 89.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 123.932 0.893 . . . . 0.0 112.836 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.35 67.72 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.73 -12.34 60.97 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.19 0.996 . . . . 0.0 113.577 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.03 1.81 57.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.238 1.415 . . . . 0.0 113.698 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -74.11 117.02 15.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 120.803 -1.185 . . . . 0.0 109.851 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -75.63 -37.69 59.51 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.245 -0.909 . . . . 0.0 112.579 -172.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.47 -12.56 14.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.94 69.03 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 119.801 1.182 . . . . 0.0 115.091 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -69.5 -3.14 13.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.515 1.658 . . . . 0.0 113.698 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 72.77 21.08 3.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.668 1.987 . . . . 0.0 114.244 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.0 pt -132.23 149.51 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.919 1.287 . . . . 0.0 111.729 164.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -93.96 115.55 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 124.458 1.103 . . . . 0.0 108.1 168.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -147.42 172.52 13.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 125.1 1.36 . . . . 0.0 111.555 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -23.7 51.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 -12.12 60.7 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -80.42 144.41 32.65 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 113.447 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.11 79.94 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -173.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.55 -16.41 60.82 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -60.52 -35.16 75.32 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.463 1.483 . . . . 0.0 114.37 -164.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -71.19 -18.85 62.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 p -79.62 -18.31 51.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.72 -1.238 . . . . 0.0 114.321 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.06 141.75 52.78 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.311 -0.868 . . . . 0.0 112.353 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -139.3 167.37 22.22 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.562 1.945 . . . . 0.0 110.362 168.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -129.24 134.28 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 109.189 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -109.95 123.4 49.56 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.187 1.395 . . . . 0.0 111.493 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -127.4 99.3 5.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.391 1.876 . . . . 0.0 110.764 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.48 135.1 33.9 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.958 1.303 . . . . 0.0 113.93 -168.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.0 mt -90.36 -32.63 16.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -116.01 -4.13 12.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 59.14 38.86 23.57 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.414 1.886 . . . . 0.0 114.614 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -91.04 -6.49 53.79 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 120.331 -1.481 . . . . 0.0 114.383 -176.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 90.16 6.53 68.9 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 124.993 1.282 . . . . 0.0 115.783 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.59 146.57 32.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 C-N-CA 126.715 2.006 . . . . 0.0 109.188 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.1 p -92.93 154.84 17.95 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -121.88 159.63 26.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.148 1.779 . . . . 0.0 110.672 166.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.99 -21.17 64.62 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -73.48 -32.62 64.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.626 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -81.36 -8.97 59.82 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.953 1.701 . . . . 0.0 113.333 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.94 126.46 50.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.864 1.266 . . . . 0.0 111.5 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -125.39 149.74 47.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.443 1.897 . . . . 0.0 111.301 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.0 p -86.7 160.76 18.74 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.04 1.336 . . . . 0.0 111.815 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.31 -38.77 81.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.188 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.56 -36.71 84.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 174.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -64.75 -27.48 68.93 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.405 -1.434 . . . . 0.0 111.941 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 74.4 mt -92.97 1.97 57.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.246 1.818 . . . . 0.0 113.3 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.19 15.96 66.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.363 1.459 . . . . 0.0 115.62 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 60.3 mt -78.96 129.13 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 125.806 1.642 . . . . 0.0 109.865 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -100.43 -36.1 9.33 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.526 1.53 . . . . 0.0 112.367 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -160.45 160.83 32.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.907 -1.121 . . . . 0.0 113.456 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.77 133.65 53.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.362 1.865 . . . . 0.0 109.662 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -87.88 136.66 32.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.686 1.195 . . . . 0.0 111.975 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.81 -0.97 38.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.122 1.369 . . . . 0.0 114.016 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.93 75.04 7.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.454 1.101 . . . . 0.0 110.711 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -95.71 165.08 12.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.602 1.161 . . . . 0.0 112.894 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.41 142.39 50.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.489 1.916 . . . . 0.0 110.432 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.05 129.44 36.08 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.986 0.812 . . . . 0.0 109.578 168.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.52 -25.92 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 117.544 -1.217 . . . . 0.0 113.352 -171.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 45.53 45.9 10.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 113.15 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.46 130.81 35.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.576 1.95 . . . . 0.0 111.392 -161.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -78.44 131.54 36.95 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 124.34 1.056 . . . . 0.0 110.128 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.98 5.98 19.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.245 1.418 . . . . 0.0 112.944 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 155.17 31.53 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.4 1.476 . . . . 0.0 114.152 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 53.09 34.06 16.4 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.232 1.813 . . . . 0.0 113.808 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.76 9.23 85.79 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.4 1.476 . . . . 0.0 115.579 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -88.41 136.11 33.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 119.429 1.614 . . . . 0.0 110.528 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.24 129.85 25.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.928 0.491 . . . . 0.0 111.843 -171.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.25 114.8 28.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.297 1.439 . . . . 0.0 110.155 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.85 -60.8 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.044 0.938 . . . . 0.0 112.524 -172.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.005 1.322 . . . . 0.0 112.753 174.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -134.66 138.78 44.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.136 1.774 . . . . 0.0 111.844 -160.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -147.82 -152.99 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.992 2.234 . . . . 0.0 111.507 171.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -141.95 166.53 24.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.127 1.371 . . . . 0.0 113.582 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -123.06 155.73 36.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.084 1.354 . . . . 0.0 110.543 164.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 79.2 m -112.14 140.37 46.89 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.172 1.789 . . . . 0.0 110.883 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -101.56 160.75 14.18 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 125.973 1.709 . . . . 0.0 113.644 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -27.69 66.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -78.06 4.4 12.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.45 0.29 89.35 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.457 1.503 . . . . 0.0 116.048 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.2 p -77.43 158.26 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 119.303 1.552 . . . . 0.0 112.853 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 28.1 p -123.79 155.45 37.93 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.07 166.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.85 161.15 40.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.939 1.296 . . . . 0.0 111.12 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -79.1 153.01 30.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.504 1.122 . . . . 0.0 113.875 -167.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.5 ptm -149.96 158.88 44.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.738 1.615 . . . . 0.0 110.923 172.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.17 175.02 44.1 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 120.891 -1.131 . . . . 0.0 114.994 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.21 109.25 16.33 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.23 1.412 . . . . 0.0 109.131 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.39 130.75 56.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.994 1.718 . . . . 0.0 111.926 -165.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.0 tp -95.91 120.55 36.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.874 1.27 . . . . 0.0 109.987 166.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.67 134.3 35.84 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.412 0.685 . . . . 0.0 109.493 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.67 132.28 47.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.367 1.067 . . . . 0.0 112.424 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.96 136.15 40.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.725 0.81 . . . . 0.0 111.761 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -89.0 151.83 22.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.913 1.685 . . . . 0.0 112.967 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -78.12 60.27 2.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.118 0.967 . . . . 0.0 112.022 168.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 tp 53.38 63.27 2.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 127.801 2.44 . . . . 0.0 113.91 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -147.11 -24.6 0.4 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.7 m -96.8 -46.84 6.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -107.32 137.6 45.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.362 1.065 . . . . 0.0 111.459 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.16 -24.82 6.84 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.708 1.203 . . . . 0.0 113.534 171.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.39 165.3 9.93 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 111.86 167.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.742 163.813 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.09 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.1 m 57.96 5.89 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 119.024 2.972 . . . . 0.0 119.024 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.16 124.79 51.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.283 1.433 . . . . 0.0 110.253 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.94 166.12 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.029 0.932 . . . . 0.0 113.29 -162.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.46 131.81 46.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.876 1.271 . . . . 0.0 109.868 163.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.53 49.43 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.934 1.294 . . . . 0.0 112.726 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.35 137.32 53.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.241 2.216 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -81.33 103.07 10.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.205 1.802 . . . . 0.0 111.035 171.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.45 -14.42 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -110.97 -8.74 14.46 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.74 24.46 25.51 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 165.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -119.36 13.75 12.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.926 1.29 . . . . 0.0 113.96 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.28 150.41 19.61 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 126.011 1.767 . . . . 0.0 113.249 -174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -71.75 126.49 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 109.154 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -121.02 152.04 39.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.808 1.243 . . . . 0.0 114.306 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 p -138.86 164.57 29.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.106 1.763 . . . . 0.0 112.794 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.03 167.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 127.545 2.338 . . . . 0.0 111.874 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.42 149.1 27.83 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.604 -0.685 . . . . 0.0 110.471 153.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.4 p -113.13 -23.13 10.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.215 1.006 . . . . 0.0 113.475 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -159.01 172.26 18.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.381 1.872 . . . . 0.0 111.53 165.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.18 -153.49 5.62 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 125.672 1.606 . . . . 0.0 115.411 172.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -90.77 -20.59 22.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -169.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.4 p -68.0 137.8 55.38 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -170.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.59 166.07 45.0 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 124.618 1.104 . . . . 0.0 114.236 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.9 p -72.24 166.8 21.7 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.325 1.05 . . . . 0.0 112.523 172.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.13 -22.77 14.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 118.003 -0.998 . . . . 0.0 113.049 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -141.57 158.66 43.56 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.493 1.917 . . . . 0.0 112.42 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -76.82 139.17 40.24 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -82.99 146.76 28.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.065 1.346 . . . . 0.0 113.77 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.09 -18.89 61.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -170.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -85.54 144.05 28.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 120.229 1.377 . . . . 0.0 112.876 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.699 1.2 . . . . 0.0 114.105 -171.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.96 -24.26 0.03 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 mm -83.22 76.23 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-N 118.466 1.133 . . . . 0.0 109.389 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.46 167.05 28.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 112.196 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.285 81.4 p 50.7 41.55 26.18 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 127.117 2.167 . . . . 0.0 116.088 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.07 149.49 49.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.592 -0.693 . . . . 0.0 111.78 166.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.3 p -125.44 -7.77 6.93 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.176 1.39 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.97 150.33 22.19 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 126.138 1.827 . . . . 0.0 112.048 168.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -153.71 172.08 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.63 1.172 . . . . 0.0 111.893 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.37 150.52 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 t -62.65 155.5 26.04 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.182 0.993 . . . . 0.0 113.208 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -18.33 63.0 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -87.28 -9.84 53.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.438 1.095 . . . . 0.0 113.919 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -115.88 -179.4 3.65 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 127.287 2.235 . . . . 0.0 112.23 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.71 161.44 32.28 Favored Glycine 0 N--CA 1.449 -0.472 0 O-C-N 120.347 -1.47 . . . . 0.0 116.014 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -95.18 143.82 26.29 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.283 1.433 . . . . 0.0 112.275 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.7 tp -82.72 125.33 31.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.766 0.826 . . . . 0.0 110.664 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.93 163.61 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.643 1.177 . . . . 0.0 113.444 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -147.12 138.0 23.74 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -80.61 128.6 33.8 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.62 -5.05 18.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.284 1.834 . . . . 0.0 114.684 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.63 5.32 4.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.17 21.01 78.42 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -88.36 -10.23 50.05 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 119.053 1.426 . . . . 0.0 114.358 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.21 1.13 72.73 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.689 1.614 . . . . 0.0 116.236 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -135.82 161.77 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 125.534 1.533 . . . . 0.0 112.655 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mm -99.04 102.57 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 126.308 1.843 . . . . 0.0 109.733 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -136.2 -25.85 1.18 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -168.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -95.88 146.32 24.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 0.0 111.821 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.0 59.81 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 -6.18 58.51 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 119.391 1.595 . . . . 0.0 114.358 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.73 -3.4 58.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.59 143.82 30.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.129 1.771 . . . . 0.0 110.77 170.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.12 106.13 9.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.009 -1.057 . . . . 0.0 111.862 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.52 -161.26 25.14 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 124.793 1.187 . . . . 0.0 112.368 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.79 8.39 1.98 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -123.13 -8.69 8.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.831 1.652 . . . . 0.0 115.076 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -74.92 160.56 30.46 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -171.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -101.79 137.97 39.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.124 1.77 . . . . 0.0 111.401 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.5 mt -90.66 169.44 10.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.065 1.746 . . . . 0.0 112.094 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.42 77.64 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 113.033 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -88.83 21.84 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.626 1.57 . . . . 0.0 114.033 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.43 -15.06 31.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 125.829 1.681 . . . . 0.0 116.102 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -66.63 153.78 42.22 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.584 1.154 . . . . 0.0 111.713 173.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -79.6 147.26 32.15 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.975 -1.078 . . . . 0.0 111.882 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.43 153.33 39.24 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.845 0.858 . . . . 0.0 112.881 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -81.44 -38.95 25.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.887 168.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -158.16 168.77 26.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.744 1.218 . . . . 0.0 113.368 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.5 92.29 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.832 1.206 . . . . 0.0 115.945 -171.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.91 -34.07 77.53 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.909 1.355 . . . . 0.0 112.671 175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.88 81.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.786 1.176 . . . . 0.0 111.755 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -32.55 73.92 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.12 -41.21 64.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.261 1.025 . . . . 0.0 112.18 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.95 66.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.47 -34.8 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 118.515 0.598 . . . . 0.0 112.169 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -83.12 0.58 44.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 125.123 1.369 . . . . 0.0 114.323 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -79.2 103.44 9.14 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.194 0.997 . . . . 0.0 110.845 173.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -76.52 -25.08 53.77 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.246 1.419 . . . . 0.0 114.113 -166.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -111.25 -13.86 13.91 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 126.42 1.888 . . . . 0.0 114.692 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.28 60.11 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 120.277 1.399 . . . . 0.0 114.668 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -78.51 0.11 27.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 118.97 1.385 . . . . 0.0 113.533 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.263 7.0 t30 73.2 22.16 2.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.863 2.465 . . . . 0.0 114.361 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.0 pt -138.03 155.56 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.334 1.453 . . . . 0.0 111.761 168.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.1 mm -102.22 120.26 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 168.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.36 173.11 13.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.93 1.692 . . . . 0.0 112.15 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.86 60.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.5 -17.61 60.73 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 171.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -80.93 139.51 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.428 1.491 . . . . 0.0 111.953 166.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.84 73.06 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.54 -21.97 63.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.05 -29.33 65.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.899 -1.125 . . . . 0.0 113.269 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.69 -24.13 36.41 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -100.29 -25.53 14.21 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 120.346 1.43 . . . . 0.0 114.266 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.35 147.15 51.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.148 1.379 . . . . 0.0 112.342 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -138.03 158.38 44.43 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.143 1.377 . . . . 0.0 111.967 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.75 132.64 59.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.943 1.297 . . . . 0.0 108.742 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -103.45 117.51 34.62 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 124.681 1.192 . . . . 0.0 110.567 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -115.56 101.64 9.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.747 1.619 . . . . 0.0 110.009 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -94.66 82.33 3.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.525 -172.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -66.36 -18.44 65.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -3.39 47.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.075 0.852 . . . . 0.0 113.113 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 59.07 52.66 6.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.551 1.94 . . . . 0.0 113.994 160.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -120.58 -15.4 8.48 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.99 13.48 83.63 Favored Glycine 0 C--N 1.34 0.751 0 O-C-N 121.003 -1.061 . . . . 0.0 114.545 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.99 126.3 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.608 1.563 . . . . 0.0 109.386 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -76.94 139.53 40.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.601 0.76 . . . . 0.0 113.01 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -143.41 149.54 37.79 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.418 1.887 . . . . 0.0 109.927 168.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.6 72.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -67.59 -10.04 48.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 114.076 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -100.01 -2.86 33.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.475 1.51 . . . . 0.0 113.95 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.4 mt -98.11 127.69 44.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.045 1.338 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -125.31 148.23 48.8 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.22 1.808 . . . . 0.0 112.13 -169.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.4 p -75.66 163.03 27.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.301 1.04 . . . . 0.0 112.379 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.54 -40.47 76.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.212 -0.93 . . . . 0.0 111.604 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.16 -27.69 59.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.61 -23.55 62.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 120.429 1.468 . . . . 0.0 113.086 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.03 -1.28 57.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.145 1.778 . . . . 0.0 112.518 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.76 27.28 73.64 Favored Glycine 0 CA--C 1.527 0.805 0 O-C-N 121.153 -0.967 . . . . 0.0 113.336 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.9 mt -80.26 128.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 119.097 1.449 . . . . 0.0 108.697 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.45 -39.55 8.3 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.974 0.91 . . . . 0.0 111.762 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.4 p -158.28 159.14 35.63 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.71 138.57 38.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.242 1.417 . . . . 0.0 110.583 168.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -88.22 137.04 32.68 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.805 0.842 . . . . 0.0 111.642 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.57 12.86 30.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.672 1.189 . . . . 0.0 113.195 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.32 137.51 43.0 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.795 2.038 . . . . 0.0 113.086 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -153.76 167.46 29.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.196 1.798 . . . . 0.0 113.095 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -132.23 151.81 51.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.377 2.271 . . . . 0.0 111.577 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.39 133.2 41.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.208 1.003 . . . . 0.0 112.212 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -133.8 -32.47 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.8 m120 47.78 71.64 0.32 Allowed 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.501 1.92 . . . . 0.0 114.498 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -126.31 119.21 26.77 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.346 1.458 . . . . 0.0 111.725 -175.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.25 142.22 43.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 121.139 -0.975 . . . . 0.0 110.905 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.84 15.4 16.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 126.582 1.953 . . . . 0.0 113.256 -171.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 69.92 178.89 23.73 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 120.75 -1.219 . . . . 0.0 113.358 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 53.57 20.44 2.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.709 2.003 . . . . 0.0 115.186 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.38 1.68 88.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.075 1.322 . . . . 0.0 115.869 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -91.81 135.19 34.1 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.602 1.701 . . . . 0.0 111.649 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 94.3 m -138.5 137.35 37.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.056 -1.028 . . . . 0.0 111.7 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.0 tt -107.66 120.57 42.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.497 1.919 . . . . 0.0 110.28 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.62 -50.26 6.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.62 147.33 48.59 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.899 1.279 . . . . 0.0 111.125 -171.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -133.38 136.14 45.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.725 1.21 . . . . 0.0 111.977 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.26 -154.54 7.27 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 127.956 2.693 . . . . 0.0 110.425 172.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -134.04 167.88 19.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.794 1.237 . . . . 0.0 113.914 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -132.67 156.64 46.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 110.693 158.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 91.5 m -101.62 132.59 47.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.157 1.383 . . . . 0.0 111.024 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -96.97 147.31 24.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.495 1.918 . . . . 0.0 110.548 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.2 p -61.25 -23.98 66.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -72.33 -1.37 15.17 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 97.53 -7.25 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.223 1.868 . . . . 0.0 115.685 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 37.0 p -93.45 176.18 6.48 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.358 1.079 . . . . 0.0 112.657 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -129.38 154.03 47.31 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -138.13 157.82 45.55 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.838 1.255 . . . . 0.0 112.195 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -75.9 144.48 41.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.05 0.94 . . . . 0.0 112.644 -172.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.0 ptm -143.22 161.65 37.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.059 1.344 . . . . 0.0 110.975 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.96 172.99 44.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.11 114.73 23.98 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 127.669 2.388 . . . . 0.0 111.6 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.16 145.01 46.35 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 126.098 1.759 . . . . 0.0 111.494 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 64.0 tp -109.9 124.99 52.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.821 1.648 . . . . 0.0 108.157 163.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.5 mt -105.66 151.98 23.71 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.182 1.393 . . . . 0.0 111.607 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -74.61 135.72 42.01 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -135.86 148.88 48.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.964 1.305 . . . . 0.0 111.39 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.49 136.33 57.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.302 1.041 . . . . 0.0 113.028 -164.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -141.93 128.14 19.79 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.564 1.945 . . . . 0.0 110.989 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.11 -30.41 71.57 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.292 1.437 . . . . 0.0 114.066 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -75.22 -13.48 60.45 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.996 1.271 . . . . 0.0 113.342 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.2 m -94.84 3.07 55.43 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.684 1.594 . . . . 0.0 112.708 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -112.42 144.81 41.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 127.58 2.352 . . . . 0.0 110.036 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -136.79 132.69 35.05 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.01 1.324 . . . . 0.0 110.752 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 74.9 mt -100.28 163.29 12.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.012 0.925 . . . . 0.0 112.199 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.945 0 C-N-CA 128.141 2.576 . . . . 0.0 112.208 175.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.3 m -76.41 58.81 1.36 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.221 1.408 . . . . 0.0 111.845 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -88.45 127.69 35.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.866 1.666 . . . . 0.0 111.464 -175.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.86 15.42 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -166.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.57 127.38 53.58 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.976 1.711 . . . . 0.0 110.076 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.38 149.24 40.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.489 1.916 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.04 138.63 52.72 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.583 1.953 . . . . 0.0 110.572 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -80.77 88.22 5.82 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.414 1.886 . . . . 0.0 110.829 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.91 -21.21 44.2 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 120.456 -1.403 . . . . 0.0 114.462 -165.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -101.59 -3.54 28.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 171.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.81 16.08 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 168.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -135.69 18.53 3.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.882 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 155.94 24.33 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 126.716 2.103 . . . . 0.0 113.78 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 132.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.938 1.295 . . . . 0.0 109.276 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.64 154.68 35.82 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.558 1.543 . . . . 0.0 112.931 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.1 p -133.22 173.03 11.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 112.62 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.24 170.61 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 126.378 1.871 . . . . 0.0 111.024 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.98 44.21 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.998 -1.064 . . . . 0.0 112.164 161.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.4 m -67.74 120.65 14.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.399 1.08 . . . . 0.0 111.984 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.2 tttt 49.21 47.48 22.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.082 1.753 . . . . 0.0 114.047 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -143.51 46.97 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.44 1.019 . . . . 0.0 113.292 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -137.64 162.37 34.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.364 1.466 . . . . 0.0 112.09 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -63.98 129.61 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 125.969 1.708 . . . . 0.0 112.126 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.7 19.05 79.69 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 m -61.93 134.68 56.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -171.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.9 tp -94.01 -24.31 17.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.898 1.679 . . . . 0.0 113.78 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.97 -34.08 1.01 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.167 1.787 . . . . 0.0 113.504 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.31 173.49 12.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.539 1.936 . . . . 0.0 111.273 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -66.93 135.77 54.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.462 -1.399 . . . . 0.0 111.31 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -92.5 112.38 24.3 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.386 1.075 . . . . 0.0 111.264 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -67.3 132.9 48.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.773 2.029 . . . . 0.0 110.768 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -95.06 -15.6 23.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.41 156.66 20.56 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 126.264 1.888 . . . . 0.0 111.309 175.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 pt -84.0 160.15 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -120.86 170.92 9.02 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.885 2.074 . . . . 0.0 110.677 164.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 p -68.48 -29.69 68.37 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.211 1.004 . . . . 0.0 112.43 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.05 122.44 24.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.701 1.2 . . . . 0.0 111.16 168.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -97.56 -21.67 16.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.788 1.235 . . . . 0.0 113.779 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.07 156.58 20.35 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 124.667 1.127 . . . . 0.0 113.568 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -143.14 171.57 13.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.821 1.648 . . . . 0.0 112.498 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.6 141.28 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 110.873 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.7 t -64.11 155.51 31.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.612 0.765 . . . . 0.0 112.902 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.68 -28.28 60.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -85.59 -8.14 58.45 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.99 1.716 . . . . 0.0 114.547 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -121.1 -173.21 2.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.928 2.491 . . . . 0.0 112.467 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.06 166.72 38.88 Favored Glycine 0 N--CA 1.447 -0.576 0 O-C-N 121.114 -0.991 . . . . 0.0 115.122 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.83 141.5 28.56 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.971 1.309 . . . . 0.0 112.113 177.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.52 127.39 32.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.643 0.377 . . . . 0.0 109.987 166.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -142.4 160.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 112.626 -169.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -149.56 119.19 6.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.519 1.127 . . . . 0.0 109.222 166.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.08 128.39 36.35 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 170.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -104.87 -2.98 23.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -167.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -134.34 17.4 3.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 21.89 71.41 Favored Glycine 0 C--N 1.341 0.824 0 O-C-N 120.766 -1.209 . . . . 0.0 115.859 164.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.52 -10.69 14.86 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 118.842 1.321 . . . . 0.0 114.074 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.8 17.22 76.62 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-O 118.592 -1.116 . . . . 0.0 115.821 173.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.75 128.92 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.916 1.686 . . . . 0.0 107.948 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.33 108.93 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -141.14 -23.55 0.75 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -95.19 144.75 25.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 119.854 1.206 . . . . 0.0 110.718 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -23.6 46.9 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 115.151 0.82 . . . . 0.0 115.151 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.4 -15.58 60.92 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -84.53 -7.95 59.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.126 1.37 . . . . 0.0 113.682 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.11 171.37 15.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.313 1.445 . . . . 0.0 110.767 160.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -95.86 107.04 19.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 156.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.49 -179.95 39.53 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.99 1.281 . . . . 0.0 112.292 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -71.94 7.12 1.72 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -175.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -120.83 9.98 10.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 127.191 2.196 . . . . 0.0 113.0 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m -79.88 143.32 34.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.76 2.024 . . . . 0.0 112.948 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -99.01 143.46 29.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.054 1.742 . . . . 0.0 112.249 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.3 162.75 13.02 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 126.96 2.104 . . . . 0.0 111.865 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.57 68.91 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.818 -1.176 . . . . 0.0 113.358 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -72.36 -8.82 56.99 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.615 -1.303 . . . . 0.0 113.58 172.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.48 -13.21 61.42 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 125.532 1.539 . . . . 0.0 114.708 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 p -75.97 170.18 16.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 120.284 2.042 . . . . 0.0 112.78 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -102.84 153.52 20.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.647 1.179 . . . . 0.0 112.601 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.29 153.34 36.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.03 0.932 . . . . 0.0 112.342 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -88.88 -26.26 21.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.266 1.826 . . . . 0.0 112.953 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.66 129.66 21.96 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.642 1.977 . . . . 0.0 111.281 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.12 -30.92 61.32 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.988 1.28 . . . . 0.0 115.799 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -32.44 58.43 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.816 1.308 . . . . 0.0 112.022 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.74 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.164 -0.96 . . . . 0.0 112.996 173.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.34 67.73 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 169.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.37 -41.92 17.63 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.081 1.352 . . . . 0.0 112.277 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.22 67.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.285 1.034 . . . . 0.0 113.766 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -56.53 -21.25 24.89 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.934 2.494 . . . . 0.0 114.667 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.33 -8.75 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -65.48 129.05 38.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.153 -0.967 . . . . 0.0 111.167 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -92.2 -33.04 14.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.605 1.962 . . . . 0.0 115.884 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -112.0 -12.63 13.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.391 1.476 . . . . 0.0 114.066 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.59 38.41 24.47 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 119.916 1.235 . . . . 0.0 114.127 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -94.93 1.31 55.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.471 1.108 . . . . 0.0 112.884 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.0 t30 61.69 25.82 15.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 128.353 2.661 . . . . 0.0 114.982 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.32 153.46 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 124.531 1.132 . . . . 0.0 111.792 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -102.9 114.81 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 123.903 0.881 . . . . 0.0 108.639 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -144.57 169.77 17.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.779 1.632 . . . . 0.0 111.8 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -17.66 59.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -168.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.8 -18.07 58.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -70.75 126.18 28.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 119.746 1.157 . . . . 0.0 111.243 167.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.84 68.72 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.773 -1.204 . . . . 0.0 113.927 -172.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.8 65.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.693 -1.254 . . . . 0.0 114.223 -168.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -66.09 -22.45 66.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.659 1.118 . . . . 0.0 113.818 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -85.15 -17.02 38.5 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -75.27 139.32 42.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.549 0.74 . . . . 0.0 111.08 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -135.29 166.21 23.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.617 1.167 . . . . 0.0 111.744 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.0 136.04 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.542 1.137 . . . . 0.0 109.558 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -107.99 106.23 16.38 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.691 1.596 . . . . 0.0 110.619 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.34 100.29 9.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.865 1.266 . . . . 0.0 108.547 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -68.02 131.11 44.87 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.341 0.656 . . . . 0.0 110.568 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.4 -27.15 38.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -116.78 -5.04 11.57 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 56.37 48.55 16.78 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.859 2.063 . . . . 0.0 114.623 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -97.86 -12.5 22.07 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.63 16.44 77.76 Favored Glycine 0 C--N 1.331 0.305 0 O-C-N 120.974 -1.079 . . . . 0.0 113.908 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.98 128.43 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 161.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -86.18 147.9 25.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.819 0.448 . . . . 0.0 111.532 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -134.19 149.89 51.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.329 1.052 . . . . 0.0 110.049 171.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.21 69.83 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.309 1.044 . . . . 0.0 112.392 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.61 -22.5 66.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.5 -1.17 57.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.172 1.389 . . . . 0.0 113.369 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.73 142.52 35.31 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 112.226 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -142.62 151.76 41.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.829 1.652 . . . . 0.0 111.263 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -78.31 161.57 27.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.529 0.732 . . . . 0.0 111.556 168.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.35 -36.67 81.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.835 -1.166 . . . . 0.0 112.468 -170.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 -15.92 60.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.57 -32.81 68.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 120.365 1.439 . . . . 0.0 111.586 166.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.26 -6.53 56.73 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.125 1.37 . . . . 0.0 114.106 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.4 18.89 78.83 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 124.057 0.837 . . . . 0.0 114.739 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -80.03 121.35 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 118.518 1.159 . . . . 0.0 108.608 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -89.43 -49.07 6.91 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.061 0.944 . . . . 0.0 112.188 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 81.3 p -156.72 157.33 34.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.8 mt -106.88 147.01 30.3 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.51 1.924 . . . . 0.0 109.824 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -93.51 138.24 31.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 124.135 0.974 . . . . 0.0 111.98 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.7 mt -94.55 -10.74 31.19 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.273 1.029 . . . . 0.0 113.59 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.26 130.82 34.52 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.443 1.097 . . . . 0.0 111.534 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -148.94 164.62 34.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.736 1.214 . . . . 0.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -128.16 151.19 49.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.268 2.627 . . . . 0.0 110.057 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.85 132.43 40.34 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.934 0.894 . . . . 0.0 111.965 172.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.4 -29.62 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 124.975 1.31 . . . . 0.0 113.385 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 m120 46.12 55.62 7.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.612 1.965 . . . . 0.0 114.47 170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.45 136.44 53.79 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.444 1.898 . . . . 0.0 112.227 -161.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -81.07 136.24 35.92 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.907 1.283 . . . . 0.0 111.273 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.4 15.8 20.14 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.153 1.781 . . . . 0.0 114.228 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 76.62 168.21 27.61 Favored Glycine 0 CA--C 1.527 0.812 0 O-C-N 121.156 -0.965 . . . . 0.0 113.165 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.3 m120 49.18 22.02 0.59 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.581 1.952 . . . . 0.0 116.097 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.77 7.33 84.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 126.1 1.809 . . . . 0.0 115.791 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -85.75 144.74 27.6 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.676 1.738 . . . . 0.0 111.944 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -139.99 130.84 26.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.049 0.939 . . . . 0.0 112.582 -172.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 31.0 tp -104.43 119.24 38.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 126.5 1.92 . . . . 0.0 110.323 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.6 -56.08 3.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.42 1.088 . . . . 0.0 112.19 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -136.74 150.79 48.61 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.943 1.697 . . . . 0.0 111.565 -171.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -139.92 137.9 35.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.849 1.259 . . . . 0.0 112.869 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.1 -152.26 6.0 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 128.203 2.811 . . . . 0.0 110.415 170.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.6 m -138.0 166.63 23.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -137.5 162.06 34.7 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.516 1.126 . . . . 0.0 110.953 166.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 93.6 m -120.66 138.64 53.83 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.255 1.822 . . . . 0.0 111.861 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -98.21 159.74 14.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.15 1.38 . . . . 0.0 111.923 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.8 p -65.28 -17.5 64.56 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -82.42 -4.86 58.14 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 170.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.58 69.8 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 125.621 1.581 . . . . 0.0 115.109 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 67.7 p -73.79 152.65 40.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.757 1.779 . . . . 0.0 111.834 173.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.2 p -126.48 153.44 45.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.647 1.179 . . . . 0.0 111.925 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.42 168.48 25.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.188 1.395 . . . . 0.0 111.461 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -74.62 155.46 37.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.79 158.56 43.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.091 0.957 . . . . 0.0 109.869 158.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.22 166.86 39.99 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 117.168 1.627 . . . . 0.0 117.168 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -84.53 108.89 17.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.347 2.259 . . . . 0.0 110.712 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.48 137.59 54.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.549 1.54 . . . . 0.0 110.754 -166.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -113.42 107.09 15.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.241 1.816 . . . . 0.0 108.958 173.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.45 150.08 36.74 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.162 0.585 . . . . 0.0 111.112 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.28 146.62 47.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -172.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -133.65 162.74 31.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.242 1.817 . . . . 0.0 113.039 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.51 130.51 40.81 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -93.67 -33.99 13.45 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.374 1.47 . . . . 0.0 113.352 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.49 -46.47 89.89 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.774 1.23 . . . . 0.0 112.909 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -132.42 -27.93 1.71 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.872 1.269 . . . . 0.0 113.126 -175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 m 58.43 -3.93 0.07 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 128.26 2.624 . . . . 0.0 117.193 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -126.36 -5.4 6.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.975 1.71 . . . . 0.0 114.596 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.76 130.97 34.41 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 119.447 1.021 . . . . 0.0 112.61 -172.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 147.26 31.66 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 126.112 1.765 . . . . 0.0 112.083 170.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.248 0.982 0 C-N-CA 125.872 1.669 . . . . 0.0 113.729 -178.675 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.54 0 CA-C-O 119.305 -0.719 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.5 m -150.37 20.36 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 120.775 2.287 . . . . 0.0 114.954 8.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -123.01 174.65 7.06 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.157 -1.589 . . . . 0.0 113.463 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.8 173.01 14.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 127.609 2.364 . . . . 0.0 112.306 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 tp -121.49 127.32 50.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.609 1.564 . . . . 0.0 107.953 164.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.06 153.9 51.89 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.8 1.24 . . . . 0.0 113.572 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -113.07 139.3 48.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.103 1.761 . . . . 0.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.38 106.08 13.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.932 0.893 . . . . 0.0 109.362 166.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.22 -29.68 18.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -97.3 -11.5 24.01 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 114.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.34 40.95 5.62 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 170.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -137.08 20.19 3.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 113.789 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 154.32 30.28 Favored Glycine 0 C--N 1.341 0.819 0 C-N-CA 126.166 1.841 . . . . 0.0 112.619 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mt -71.52 130.52 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 121.425 -1.044 . . . . 0.0 109.509 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -119.95 151.19 39.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.379 1.071 . . . . 0.0 113.073 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.6 p -140.8 158.06 44.5 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.523 1.529 . . . . 0.0 112.29 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 m -140.49 155.27 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.992 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.49 145.09 35.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.955 0.502 . . . . 0.0 110.824 165.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -126.07 155.29 41.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.705 0.802 . . . . 0.0 112.817 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -77.71 52.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.321 1.448 . . . . 0.0 114.7 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.18 166.47 28.99 Favored Glycine 0 C--N 1.336 0.533 0 O-C-N 121.164 -0.96 . . . . 0.0 115.262 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -117.92 163.09 17.07 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.132 2.173 . . . . 0.0 112.297 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.6 p -140.95 -20.92 0.79 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.55 -37.64 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.031 1.3 . . . . 0.0 113.684 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 98.7 p -83.97 -36.43 23.23 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.548 1.539 . . . . 0.0 113.308 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt 52.91 22.33 2.35 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.238 2.215 . . . . 0.0 115.093 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -66.78 116.09 7.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.234 1.013 . . . . 0.0 111.605 -170.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 48.66 24.17 0.75 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -169.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -84.55 160.03 20.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.434 -1.416 . . . . 0.0 114.47 -171.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -63.82 155.08 31.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.401 1.48 . . . . 0.0 113.996 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -83.26 -11.7 57.5 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -124.26 139.7 53.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.731 1.212 . . . . 0.0 112.952 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.0 167.01 11.35 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.646 1.593 . . . . 0.0 114.034 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.34 -30.79 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 125.269 1.427 . . . . 0.0 113.363 -172.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 48.81 48.78 19.9 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.832 2.053 . . . . 0.0 114.592 170.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.7 p -110.5 -26.39 9.52 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.67 176.34 9.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.238 1.415 . . . . 0.0 112.563 -176.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.5 p -110.42 -30.4 7.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.338 1.855 . . . . 0.0 112.652 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.58 168.44 53.71 Favored Glycine 0 C--N 1.341 0.816 0 O-C-N 121.458 -0.776 . . . . 0.0 113.097 163.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -153.76 171.67 18.53 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.829 1.251 . . . . 0.0 112.047 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.77 137.22 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 125.92 1.688 . . . . 0.0 110.577 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -61.4 156.99 17.78 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 113.743 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -9.14 36.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -172.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.72 -13.72 31.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.72 1.608 . . . . 0.0 113.539 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -119.13 176.42 5.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.551 2.341 . . . . 0.0 111.798 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.04 159.77 30.26 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.334 -1.479 . . . . 0.0 116.217 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -88.3 142.07 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.023 1.729 . . . . 0.0 111.31 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.8 tp -80.34 128.49 33.61 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.284 1.033 . . . . 0.0 109.997 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 m -147.48 160.8 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.325 1.45 . . . . 0.0 112.725 -167.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -144.7 133.75 22.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.068 1.747 . . . . 0.0 111.499 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -79.05 126.33 30.56 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.006 0.523 . . . . 0.0 110.644 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -106.89 1.02 24.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.799 1.239 . . . . 0.0 114.102 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.44 15.03 4.1 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.26 41.91 99.72 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.703 -1.054 . . . . 0.0 115.532 168.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -109.36 -5.33 15.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.957 1.703 . . . . 0.0 113.775 174.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.8 13.07 80.82 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 124.955 1.264 . . . . 0.0 115.095 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.9 mt -133.11 149.56 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 126.631 1.972 . . . . 0.0 108.787 -172.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.3 mm -94.86 120.7 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 O-C-N 121.159 -0.963 . . . . 0.0 109.157 171.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.77 3.5 0.47 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -135.22 144.49 46.95 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.924 1.29 . . . . 0.0 110.71 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.04 59.93 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -15.87 63.36 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.6 -3.95 58.14 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.601 1.561 . . . . 0.0 113.676 -175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.49 161.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.358 1.863 . . . . 0.0 110.425 167.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.28 141.22 29.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.737 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.88 -158.13 28.69 Favored Glycine 0 C--N 1.342 0.865 0 O-C-N 121.703 -0.623 . . . . 0.0 114.553 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.31 -19.2 63.88 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.21 -16.24 47.27 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.993 -1.067 . . . . 0.0 112.45 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -66.24 134.66 53.14 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 119.788 1.176 . . . . 0.0 111.874 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -108.61 160.7 15.72 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.953 1.701 . . . . 0.0 111.641 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -90.09 168.17 12.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.302 1.441 . . . . 0.0 110.456 168.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.23 3.31 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -95.41 -2.14 49.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 126.293 1.837 . . . . 0.0 113.863 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.87 2.7 86.23 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 125.364 1.459 . . . . 0.0 115.837 -175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -83.62 153.8 24.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 118.917 1.358 . . . . 0.0 112.024 173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -74.76 134.88 41.77 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.616 -1.303 . . . . 0.0 111.807 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.36 59.23 2.29 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.631 1.573 . . . . 0.0 113.149 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -82.65 -25.73 32.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -164.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -67.63 143.87 55.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 120.237 1.381 . . . . 0.0 111.805 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.52 110.94 3.14 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-O 119.003 -0.887 . . . . 0.0 112.575 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.28 80.14 1.94 Allowed 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 122.31 3.055 . . . . 0.0 109.647 -3.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.68 69.23 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -161.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.65 66.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.82 -27.37 21.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.768 0.827 . . . . 0.0 112.621 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.48 66.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.93 -17.41 63.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.07 -12.75 19.42 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.44 -1.413 . . . . 0.0 114.672 -167.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.57 127.7 33.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.187 0.995 . . . . 0.0 110.992 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.2 p -82.03 -44.92 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.319 1.048 . . . . 0.0 113.631 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -108.76 -8.87 15.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 125.585 1.554 . . . . 0.0 114.276 -166.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.56 28.43 57.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 118.889 -0.951 . . . . 0.0 114.574 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -81.73 -3.21 53.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.059 1.43 . . . . 0.0 112.47 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.4 t30 68.82 22.8 7.11 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.666 1.986 . . . . 0.0 114.877 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.64 150.52 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 111.844 170.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.7 mm -98.98 110.01 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 171.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -139.24 172.66 12.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.053 0.941 . . . . 0.0 112.109 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.65 -16.05 9.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.87 -25.35 43.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.54 140.32 48.07 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 119.98 1.264 . . . . 0.0 112.072 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.98 73.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 120.863 -1.148 . . . . 0.0 112.869 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.11 -23.9 56.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.52 -30.87 71.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.331 0.969 . . . . 0.0 112.384 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -82.65 -15.28 52.64 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 123.822 0.849 . . . . 0.0 113.243 173.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -93.64 -32.09 14.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.829 1.252 . . . . 0.0 113.55 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.32 150.36 41.93 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.473 1.109 . . . . 0.0 112.251 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -135.01 166.42 23.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.282 1.433 . . . . 0.0 110.726 172.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.6 129.15 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.069 1.348 . . . . 0.0 109.329 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -105.97 123.45 48.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.392 1.077 . . . . 0.0 111.651 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -124.05 99.19 6.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.885 2.074 . . . . 0.0 109.379 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.61 125.55 34.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.145 0.978 . . . . 0.0 111.395 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.64 -14.78 41.68 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -172.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -117.53 -11.88 10.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.05 1.34 . . . . 0.0 114.55 171.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 54.33 52.5 12.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 127.475 2.31 . . . . 0.0 113.786 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -107.69 7.75 28.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.21 1.404 . . . . 0.0 113.604 -174.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.71 6.7 88.39 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.345 -1.253 . . . . 0.0 115.739 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.5 mt -119.37 128.84 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.981 1.391 . . . . 0.0 109.052 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -101.03 157.46 16.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.021 1.328 . . . . 0.0 112.766 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -143.74 158.5 43.64 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 126.442 1.897 . . . . 0.0 109.524 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.22 70.01 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.596 -1.315 . . . . 0.0 113.276 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -69.5 -17.78 63.63 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 171.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -96.22 -11.74 25.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.556 1.142 . . . . 0.0 113.501 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -90.03 150.4 22.12 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 0.0 111.212 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -135.22 152.75 51.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.659 1.984 . . . . 0.0 110.371 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.8 p -82.71 158.55 22.86 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.386 1.475 . . . . 0.0 111.174 163.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.84 -37.35 84.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.1 -1.0 . . . . 0.0 111.392 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.44 -46.43 88.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.89 1.676 . . . . 0.0 113.655 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.72 -20.45 61.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -80.85 7.88 9.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.354 . . . . 0.0 112.199 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.47 70.65 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.06 -1.025 . . . . 0.0 113.819 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 49.4 mt -78.02 143.44 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.172 1.486 . . . . 0.0 108.885 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -121.4 -35.6 3.23 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.779 1.232 . . . . 0.0 111.843 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -146.22 158.09 43.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.275 1.43 . . . . 0.0 112.537 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.56 144.3 51.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 127.033 2.133 . . . . 0.0 109.752 169.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -77.79 148.27 34.86 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.42 0.628 . . . . 0.0 112.565 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.27 -10.64 27.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.386 1.075 . . . . 0.0 111.674 162.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.7 131.51 35.2 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.67 1.188 . . . . 0.0 113.025 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.23 173.06 8.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 127.204 2.202 . . . . 0.0 112.621 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -140.77 141.21 34.85 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.339 2.256 . . . . 0.0 109.864 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -78.9 123.66 27.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.172 0.896 . . . . 0.0 111.58 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 -30.23 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 52.82 52.81 13.21 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 124.906 1.282 . . . . 0.0 114.313 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.81 153.84 22.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.757 2.023 . . . . 0.0 114.102 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -96.21 133.83 40.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.096 1.358 . . . . 0.0 113.123 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.49 2.3 17.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.882 1.273 . . . . 0.0 113.453 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.45 165.39 39.37 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 114.343 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 50.02 27.36 2.43 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 115.15 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.81 -0.18 72.95 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 125.759 1.647 . . . . 0.0 115.592 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -87.94 137.5 32.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.513 1.657 . . . . 0.0 112.411 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.9 m -131.4 128.37 39.42 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.674 1.19 . . . . 0.0 112.168 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.1 105.27 17.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.369 1.868 . . . . 0.0 109.2 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.35 9.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.371 -0.831 . . . . 0.0 112.492 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -137.43 146.48 44.43 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.899 1.28 . . . . 0.0 112.045 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.76 137.53 54.89 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 126.216 1.807 . . . . 0.0 111.133 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.51 -164.17 11.06 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 126.647 2.07 . . . . 0.0 111.601 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.4 t -138.78 151.08 46.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.222 -1.163 . . . . 0.0 113.241 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -123.93 157.18 34.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.769 1.228 . . . . 0.0 112.317 164.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.7 m -121.24 130.32 53.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.603 1.561 . . . . 0.0 110.192 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 161' ' ' ALA . 87.4 mttt -90.55 164.2 14.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.71 1.204 . . . . 0.0 112.271 -177.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.4 p -61.66 -25.99 67.73 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -77.43 9.21 3.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.026 1.33 . . . . 0.0 114.202 171.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.66 -11.01 58.08 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.508 2.004 . . . . 0.0 115.518 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 36.6 p -85.39 155.72 21.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.173 1.389 . . . . 0.0 113.438 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.6 p -105.55 155.71 18.93 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.176 1.391 . . . . 0.0 113.422 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.4 ' HB2' ' HE3' ' A' ' 155' ' ' LYS . . . -149.95 158.94 44.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 112.076 -169.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -89.61 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -166.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.48 160.74 41.71 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.902 1.281 . . . . 0.0 112.108 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.78 167.91 40.33 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 117.561 1.784 . . . . 0.0 117.561 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -92.51 109.35 20.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.429 2.291 . . . . 0.0 110.248 -172.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.59 113.61 27.23 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.393 1.477 . . . . 0.0 111.192 -172.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 55.9 tp -83.74 106.17 15.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 165.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.2 mt -77.54 150.52 34.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 123.853 0.861 . . . . 0.0 110.322 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.42 140.36 56.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.453 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -143.99 157.47 44.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.359 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.85 133.38 46.44 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.441 1.496 . . . . 0.0 111.999 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.13 -27.55 23.02 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.795 1.238 . . . . 0.0 113.295 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.32 154.66 41.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.674 1.124 . . . . 0.0 111.536 172.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -135.94 145.76 46.58 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.605 1.162 . . . . 0.0 113.381 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.6 t -152.9 162.56 41.15 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.078 1.351 . . . . 0.0 111.962 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -145.26 150.53 36.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.8 2.04 . . . . 0.0 111.414 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.36 114.87 6.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.573 0.749 . . . . 0.0 110.307 159.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.6 mt -129.33 133.89 47.65 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 110.769 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.37 1.868 . . . . 0.0 112.982 -179.374 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 56.0 p -122.6 -28.41 4.22 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.712 1.605 . . . . 0.0 114.6 -171.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.82 136.99 26.06 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.105 1.762 . . . . 0.0 109.898 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.34 168.38 24.96 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 122.732 0.413 . . . . 0.0 111.907 -176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -102.12 125.53 48.83 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 107.851 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.74 144.67 43.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.178 1.391 . . . . 0.0 111.37 -176.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -114.43 135.42 54.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.32 1.848 . . . . 0.0 110.817 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -76.42 105.85 7.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.002 1.321 . . . . 0.0 109.309 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.77 -27.15 20.2 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -171.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -105.38 -5.87 20.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.21 31.15 9.28 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 117.056 1.583 . . . . 0.0 117.056 166.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -125.84 20.59 7.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.278 1.539 . . . . 0.0 113.693 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.12 160.32 35.94 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 126.581 2.039 . . . . 0.0 113.36 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.59 131.13 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.854 1.262 . . . . 0.0 109.277 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -129.82 150.36 51.15 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.214 1.405 . . . . 0.0 112.247 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -135.15 156.57 48.77 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.98 132.81 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 127.502 2.321 . . . . 0.0 109.844 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.85 154.45 48.04 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -118.04 165.9 13.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.306 1.842 . . . . 0.0 111.455 172.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -123.75 153.26 41.17 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.266 1.426 . . . . 0.0 112.336 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.09 154.51 43.06 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 123.775 0.702 . . . . 0.0 112.641 167.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -152.59 152.98 32.47 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.415 1.486 . . . . 0.0 110.132 167.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -57.36 126.4 27.09 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.637 0.775 . . . . 0.0 112.558 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.05 -31.86 1.31 Allowed Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 126.274 1.892 . . . . 0.0 116.751 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -64.44 -21.08 66.54 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -92.59 -3.81 54.42 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.601 1.091 . . . . 0.0 113.812 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.38 148.37 29.36 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 119.959 1.254 . . . . 0.0 111.599 168.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -139.85 163.01 33.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.115 1.366 . . . . 0.0 111.686 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -99.04 -2.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.182 1.393 . . . . 0.0 114.719 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -149.7 6.07 0.62 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 -162.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.26 63.8 mtp85 62.61 18.16 10.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.998 2.119 . . . . 0.0 116.216 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.13 -24.04 26.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.81 170.67 51.84 Favored Glycine 0 CA--C 1.525 0.7 0 O-C-N 120.656 -1.278 . . . . 0.0 114.501 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -97.37 126.75 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 124.417 1.087 . . . . 0.0 108.338 168.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -94.49 6.74 47.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.966 1.706 . . . . 0.0 114.278 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.4 p -130.82 171.55 13.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.012 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.45 135.6 44.64 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.695 0.798 . . . . 0.0 110.851 164.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -150.81 155.77 39.89 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 125.262 1.425 . . . . 0.0 112.469 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -109.4 122.0 6.31 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 125.323 1.439 . . . . 0.0 112.031 170.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.26 172.44 12.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.217 1.407 . . . . 0.0 112.919 -163.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.1 m -72.06 152.7 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 120.571 -1.33 . . . . 0.0 112.797 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -57.26 155.56 8.68 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.454 1.502 . . . . 0.0 112.243 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -19.48 57.44 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.34 -24.28 34.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.47 176.58 5.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.42 1.888 . . . . 0.0 112.756 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.78 33.26 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 121.432 -0.793 . . . . 0.0 114.71 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.16 136.5 48.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.186 1.395 . . . . 0.0 111.289 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.2 127.67 32.62 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.341 1.056 . . . . 0.0 110.253 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -149.33 166.27 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.064 1.346 . . . . 0.0 111.763 -168.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -149.65 144.1 25.93 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.794 0.838 . . . . 0.0 111.757 161.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -76.92 120.3 21.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.353 0.661 . . . . 0.0 111.365 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -97.08 0.02 47.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.796 1.639 . . . . 0.0 113.896 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.78 1.34 3.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 116.612 2.079 . . . . 0.0 116.612 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 19.09 67.74 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 116.73 1.452 . . . . 0.0 116.73 171.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -99.22 -0.44 41.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.77 7.57 87.33 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.262 1.411 . . . . 0.0 115.654 173.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -133.34 160.18 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.802 1.641 . . . . 0.0 112.156 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 mm -98.49 101.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.412 1.485 . . . . 0.0 107.767 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -121.04 -6.98 9.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -171.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -131.36 147.06 52.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.631 1.172 . . . . 0.0 112.216 173.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.99 57.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.22 -17.44 61.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.766 1.283 . . . . 0.0 114.278 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.78 -17.02 61.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.46 1.104 . . . . 0.0 112.789 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.65 144.04 25.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.366 1.466 . . . . 0.0 110.248 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.2 112.39 10.3 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.524 0.329 . . . . 0.0 110.746 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.29 -172.63 38.3 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.682 1.134 . . . . 0.0 112.532 -172.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.07 -10.02 45.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -118.11 15.36 14.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.854 1.661 . . . . 0.0 114.124 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 t -76.01 156.55 33.94 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.928 1.291 . . . . 0.0 113.732 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -117.9 156.57 28.22 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 125.602 1.561 . . . . 0.0 112.239 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.1 mt -95.32 169.23 10.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 110.671 169.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.14 67.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.35 -16.71 59.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.601 -1.312 . . . . 0.0 113.527 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.8 -10.96 38.19 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 126.069 1.795 . . . . 0.0 115.912 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -71.87 151.75 43.15 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 120.038 1.919 . . . . 0.0 112.164 175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -71.89 154.57 41.15 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.813 0.845 . . . . 0.0 112.43 171.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.42 153.78 28.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.606 1.562 . . . . 0.0 111.59 165.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.04 -38.19 82.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -163.62 168.23 20.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.615 1.966 . . . . 0.0 111.302 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.58 92.88 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 125.029 1.3 . . . . 0.0 115.315 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -74.41 -30.42 61.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 119.892 1.846 . . . . 0.0 113.519 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.3 86.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.791 0.723 . . . . 0.0 112.678 169.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.9 93.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.359 1.064 . . . . 0.0 111.895 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.29 -36.89 84.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.281 -0.887 . . . . 0.0 112.562 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.94 -16.66 64.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -73.66 -27.95 61.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.471 1.032 . . . . 0.0 112.172 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.48 -14.45 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.285 1.434 . . . . 0.0 113.83 -177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.37 113.13 3.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.297 1.039 . . . . 0.0 112.178 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -73.77 -17.36 61.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -110.38 -23.65 11.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -165.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.22 35.02 35.18 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 118.813 0.733 . . . . 0.0 113.95 -168.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -105.28 -12.48 16.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.188 1.395 . . . . 0.0 113.135 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.63 26.83 15.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 127.396 2.278 . . . . 0.0 114.253 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.4 pt -129.02 153.37 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.336 1.454 . . . . 0.0 111.093 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.52 120.48 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 124.217 1.007 . . . . 0.0 109.681 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -149.65 175.5 11.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.477 1.511 . . . . 0.0 111.586 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 -17.85 14.24 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -173.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.27 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 120.854 -1.154 . . . . 0.0 113.056 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.8 123.47 27.74 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.813 1.245 . . . . 0.0 111.335 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.93 -30.61 66.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.185 -0.947 . . . . 0.0 112.966 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.67 58.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.98 -29.39 67.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 119.986 1.266 . . . . 0.0 112.573 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -78.26 -21.36 49.97 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.875 1.27 . . . . 0.0 114.219 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.4 p -115.15 -14.1 11.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.636 1.575 . . . . 0.0 114.887 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.41 147.23 53.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.633 1.173 . . . . 0.0 110.909 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -137.76 159.65 41.42 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.639 1.176 . . . . 0.0 110.689 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.88 126.34 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 109.233 170.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -99.96 127.42 46.15 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.909 1.284 . . . . 0.0 110.528 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -125.52 100.65 6.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.885 1.274 . . . . 0.0 109.175 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.4 131.88 44.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.147 -0.971 . . . . 0.0 111.35 -174.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.89 -17.46 37.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -116.08 1.15 13.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.663 1.185 . . . . 0.0 113.967 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 58.53 23.89 11.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 127.302 2.241 . . . . 0.0 114.624 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -77.19 -17.94 58.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.188 -1.57 . . . . 0.0 112.935 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.4 23.49 75.45 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.692 -1.06 . . . . 0.0 113.029 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -104.78 116.29 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 164.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 t -81.46 132.31 35.31 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.975 0.51 . . . . 0.0 112.276 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.35 150.51 37.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.408 1.483 . . . . 0.0 111.271 165.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -166.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -77.22 -6.25 52.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.73 -9.25 59.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.571 1.149 . . . . 0.0 113.896 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.51 145.19 29.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.262 1.425 . . . . 0.0 112.842 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.48 163.99 25.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.591 2.356 . . . . 0.0 113.219 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -77.25 165.93 23.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.062 1.345 . . . . 0.0 112.616 168.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.54 -36.64 79.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.209 1.003 . . . . 0.0 112.039 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.42 -31.27 62.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.56 -20.66 56.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.966 1.257 . . . . 0.0 113.087 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.09 2.79 37.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.533 1.533 . . . . 0.0 113.132 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.83 27.37 73.27 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 118.761 0.71 . . . . 0.0 114.394 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.1 mt -83.57 126.51 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 118.402 1.101 . . . . 0.0 109.856 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -90.41 -50.56 5.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.526 1.53 . . . . 0.0 110.925 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.2 p -157.59 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.612 1.165 . . . . 0.0 111.908 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.45 124.94 39.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.989 1.315 . . . . 0.0 110.966 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -94.29 113.9 25.89 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.495 1.118 . . . . 0.0 112.29 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 mt -73.65 0.13 13.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.242 1.417 . . . . 0.0 114.817 -174.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.27 116.98 25.72 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 120.454 -1.404 . . . . 0.0 112.833 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -102.17 170.26 8.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.871 1.668 . . . . 0.0 114.233 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -121.92 147.22 46.3 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.227 1.811 . . . . 0.0 108.713 151.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.22 136.94 52.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.544 0.338 . . . . 0.0 111.721 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.78 -27.35 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 125.208 1.403 . . . . 0.0 114.232 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.4 m120 46.72 49.3 14.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.578 1.951 . . . . 0.0 113.998 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -101.23 122.49 43.75 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.588 1.955 . . . . 0.0 112.553 -166.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -66.35 127.66 33.12 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.664 -0.648 . . . . 0.0 110.836 168.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.35 -26.42 11.5 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.824 0.85 . . . . 0.0 112.623 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 178.61 -172.09 44.4 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 125.546 1.546 . . . . 0.0 112.167 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -57.8 108.26 0.55 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.597 -0.943 . . . . 0.0 112.427 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.37 69.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.362 -1.243 . . . . 0.0 116.133 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -113.87 121.91 45.4 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 119.613 1.707 . . . . 0.0 111.647 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.9 m -142.43 131.47 23.14 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.624 1.57 . . . . 0.0 111.179 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.93 112.38 24.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.431 1.893 . . . . 0.0 110.292 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.96 -53.17 7.31 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.676 -0.64 . . . . 0.0 112.581 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -133.68 142.71 48.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.255 1.422 . . . . 0.0 110.089 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -141.87 141.21 33.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.705 -168.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.01 -150.13 5.25 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 127.677 2.56 . . . . 0.0 110.501 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 67.6 m -141.28 164.53 30.01 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -123.88 160.12 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.802 2.041 . . . . 0.0 109.947 167.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.4 m -106.61 134.51 49.64 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.086 1.754 . . . . 0.0 111.19 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -92.64 161.46 14.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.313 1.845 . . . . 0.0 111.325 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 37.3 p -63.32 -17.99 63.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -79.64 0.09 31.64 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 125.831 1.652 . . . . 0.0 114.785 169.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.85 -2.71 78.95 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 126.66 2.076 . . . . 0.0 115.512 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.0 p -80.18 160.47 25.64 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 119.63 1.715 . . . . 0.0 110.906 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 69.9 p -117.73 154.55 31.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.514 -0.741 . . . . 0.0 112.473 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.49 157.04 45.65 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.595 1.158 . . . . 0.0 111.124 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.82 150.7 36.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.636 0.775 . . . . 0.0 112.79 -168.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -147.2 159.59 43.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.846 1.258 . . . . 0.0 111.203 168.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.75 173.32 44.71 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.02 123.28 27.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.035 1.734 . . . . 0.0 111.443 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 55.1 tp -129.45 134.52 47.87 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.892 1.677 . . . . 0.0 112.656 -167.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.91 127.63 33.37 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.678 1.591 . . . . 0.0 110.189 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.32 133.13 53.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.315 1.446 . . . . 0.0 110.092 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -98.8 150.64 21.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.26 1.024 . . . . 0.0 112.449 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.11 141.47 19.64 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.255 1.022 . . . . 0.0 112.226 168.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.17 150.86 37.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.539 1.536 . . . . 0.0 114.921 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -131.13 14.48 5.16 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.471 1.908 . . . . 0.0 114.145 173.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 36.4 tp -113.8 -34.66 5.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 120.675 1.58 . . . . 0.0 114.768 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -122.89 -27.6 4.24 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 124.67 1.188 . . . . 0.0 113.849 -171.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.4 m -68.63 150.45 47.95 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.589 1.956 . . . . 0.0 113.405 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -125.24 109.72 13.18 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.888 1.675 . . . . 0.0 109.848 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -92.72 147.61 22.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.468 1.107 . . . . 0.0 111.785 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 57.3 mt 52.78 40.11 29.97 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.174 1.789 . . . . 0.0 113.198 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--O 1.243 0.755 0 C-N-CA 125.731 1.612 . . . . 0.0 111.738 -174.411 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.997 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.1 m -135.89 133.03 37.29 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.337 1.455 . . . . 0.0 109.917 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -142.85 166.35 24.88 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.504 1.122 . . . . 0.0 113.28 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.59 155.96 24.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.473 1.909 . . . . 0.0 112.741 168.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.8 mt -83.71 139.37 32.8 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.08 1.352 . . . . 0.0 112.808 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.49 160.25 40.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.78 1.632 . . . . 0.0 113.861 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mp -126.59 146.92 49.97 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.923 1.289 . . . . 0.0 113.066 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -85.1 103.43 14.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.097 1.359 . . . . 0.0 109.882 167.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.05 -25.23 32.31 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -166.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.36 -5.81 12.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.38 35.84 8.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -126.18 16.71 7.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.33 1.565 . . . . 0.0 114.74 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.49 162.24 31.47 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 125.689 1.614 . . . . 0.0 112.447 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.78 106.03 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -89.32 129.01 35.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.934 0.894 . . . . 0.0 111.287 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -129.63 148.2 51.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.848 1.259 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.334 2.254 . . . . 0.0 111.419 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.06 57.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.714 . . . . 0.0 111.495 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 t -155.82 155.95 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.813 1.645 . . . . 0.0 110.827 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -94.39 111.4 23.15 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.571 0.748 . . . . 0.0 109.487 156.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.89 141.04 22.19 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.11 -30.92 71.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m 44.03 61.33 2.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.271 1.828 . . . . 0.0 114.579 170.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.73 160.67 28.8 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 127.953 2.692 . . . . 0.0 114.808 10.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 m -50.14 -32.83 17.04 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -166.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.33 -34.29 74.43 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -135.77 -15.16 1.83 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -163.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -83.61 106.11 15.07 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 120.058 1.299 . . . . 0.0 110.774 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -150.54 0.41 0.43 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.294 1.437 . . . . 0.0 114.198 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.06 163.49 17.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 126.311 1.844 . . . . 0.0 111.773 -172.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -73.83 18.73 0.13 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.989 2.115 . . . . 0.0 113.604 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.7 164.72 32.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.805 1.642 . . . . 0.0 110.011 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.1 160.6 54.08 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.385 0.993 . . . . 0.0 114.359 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -78.12 136.59 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 124.351 1.06 . . . . 0.0 109.297 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -132.81 70.09 1.47 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.254 1.822 . . . . 0.0 111.155 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.5 p -133.47 160.98 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.429 1.492 . . . . 0.0 112.153 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.71 127.32 40.6 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.249 1.02 . . . . 0.0 110.327 167.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.6 p -114.96 82.59 1.76 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.902 0.881 . . . . 0.0 112.974 -164.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.61 127.75 8.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 146.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -121.77 159.77 25.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.427 1.113 . . . . 0.0 111.434 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.7 128.31 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 122.032 0.92 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 t -61.06 161.7 8.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.289 1.836 . . . . 0.0 112.243 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.74 -9.36 1.71 Allowed 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.74 -27.59 55.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 126.012 1.725 . . . . 0.0 114.053 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -128.83 -172.79 2.8 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.848 2.459 . . . . 0.0 113.013 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.59 37.65 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -95.73 144.74 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.897 2.079 . . . . 0.0 111.677 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.69 127.12 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 119.345 0.975 . . . . 0.0 111.051 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.87 164.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 112.086 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -124.72 114.3 19.11 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.57 1.548 . . . . 0.0 109.108 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -88.19 96.34 10.51 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.001 0.819 . . . . 0.0 109.957 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.48 -14.26 60.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.07 1.748 . . . . 0.0 114.153 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -126.52 0.05 6.88 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.25 15.72 76.93 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 116.374 1.31 . . . . 0.0 116.374 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -74.51 -5.18 41.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 119.589 1.695 . . . . 0.0 114.004 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.78 4.51 79.13 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 125.337 1.446 . . . . 0.0 115.325 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.7 pt -136.54 161.31 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 126.717 2.007 . . . . 0.0 111.934 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -94.09 122.69 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 123.444 0.698 . . . . 0.0 111.351 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -136.63 -14.42 1.67 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.197 1.399 . . . . 0.0 113.279 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -117.23 146.92 42.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.543 1.137 . . . . 0.0 111.502 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.25 -14.18 73.92 Favored Glycine 0 CA--C 1.525 0.701 0 O-C-N 120.855 -1.153 . . . . 0.0 115.62 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.33 -9.24 59.19 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 118.501 1.15 . . . . 0.0 113.859 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.3 -8.17 55.3 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.73 -1.231 . . . . 0.0 113.683 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -97.63 160.84 14.07 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.398 1.479 . . . . 0.0 111.749 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -107.31 133.1 52.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.131 0.972 . . . . 0.0 110.316 163.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.17 -178.99 40.53 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 125.482 1.515 . . . . 0.0 111.707 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.87 -1.57 20.08 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -123.36 3.74 9.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 125.517 1.527 . . . . 0.0 114.723 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -70.0 160.28 32.22 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 0.0 112.937 -178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -91.69 128.28 37.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.665 0.786 . . . . 0.0 111.672 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.36 158.26 36.28 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.469 1.107 . . . . 0.0 109.591 168.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.11 -22.95 61.66 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -170.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -84.92 -2.6 58.05 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.235 1.414 . . . . 0.0 114.762 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.32 -2.92 61.35 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 126.52 2.01 . . . . 0.0 114.542 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 m -74.57 167.68 21.27 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 119.511 1.655 . . . . 0.0 112.793 175.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.4 144.34 25.63 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.809 1.244 . . . . 0.0 112.533 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 157.28 25.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.516 1.126 . . . . 0.0 112.838 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.82 -44.3 10.6 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.216 1.407 . . . . 0.0 113.027 157.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -144.16 143.87 31.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.348 1.059 . . . . 0.0 111.422 -170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -55.22 -42.24 81.56 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 114.967 0.747 . . . . 0.0 114.967 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.78 -40.67 95.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 118.766 1.283 . . . . 0.0 111.842 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.35 59.1 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 112.299 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.78 81.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.767 1.227 . . . . 0.0 112.08 171.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.3 -39.7 71.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.077 0.951 . . . . 0.0 112.026 170.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.6 66.68 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.83 -24.14 65.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.811 1.187 . . . . 0.0 113.066 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.8 -13.0 60.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.47 1.108 . . . . 0.0 113.666 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.73 127.61 33.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 120.26 1.391 . . . . 0.0 112.303 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -90.67 -19.31 23.76 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.846 1.658 . . . . 0.0 115.287 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -110.92 -23.97 10.67 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -160.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.66 26.69 58.41 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.269 -0.895 . . . . 0.0 114.66 -165.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -102.34 8.49 40.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.644 1.722 . . . . 0.0 114.373 -174.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.0 t30 59.08 11.91 2.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.918 2.487 . . . . 0.0 116.281 -174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.7 pt -129.24 149.57 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 119.449 1.022 . . . . 0.0 113.547 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -98.59 115.72 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.781 1.633 . . . . 0.0 108.018 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.47 175.58 13.42 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 126.068 1.747 . . . . 0.0 112.131 -170.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.27 -17.77 8.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -13.8 61.9 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.84 1.2 . . . . 0.0 113.784 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -94.77 132.27 39.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.376 1.871 . . . . 0.0 112.398 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.22 -25.24 66.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.18 -16.84 55.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.14 -35.03 74.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -165.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -70.51 -19.9 62.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.818 -1.176 . . . . 0.0 113.963 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 p -79.43 -13.92 59.27 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.06 141.84 49.25 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.936 0.894 . . . . 0.0 111.902 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -141.31 162.53 35.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.944 1.698 . . . . 0.0 109.976 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.07 130.31 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.725 1.21 . . . . 0.0 109.021 165.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -99.62 107.7 19.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.936 0.894 . . . . 0.0 111.148 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -105.01 105.11 15.0 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.0 108.615 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -94.62 110.32 22.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.425 -0.797 . . . . 0.0 110.471 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.47 HD22 ' H ' ' A' ' 108' ' ' LEU . 2.7 mm? -61.43 -25.79 67.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.936 0.894 . . . . 0.0 112.974 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -115.58 -4.48 12.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.829 1.652 . . . . 0.0 115.345 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 53.48 28.51 7.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 116.798 2.148 . . . . 0.0 116.798 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.17 -1.7 30.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.92 -6.1 72.36 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 120.012 -1.68 . . . . 0.0 115.285 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.17 139.76 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.829 1.652 . . . . 0.0 108.942 171.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -96.37 151.67 19.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.341 1.056 . . . . 0.0 112.572 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -136.43 157.88 45.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.964 1.705 . . . . 0.0 110.095 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.74 71.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -169.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.92 -9.15 58.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.24 -23.99 15.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.883 1.273 . . . . 0.0 112.924 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.36 131.14 34.45 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.4 0.68 . . . . 0.0 109.714 169.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -126.27 156.69 39.93 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.933 2.493 . . . . 0.0 111.216 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.0 p -73.68 158.71 34.2 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.626 -0.671 . . . . 0.0 111.665 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.07 -42.42 80.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.119 0.568 . . . . 0.0 110.327 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.06 -31.85 71.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.65 -18.24 61.58 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 120.402 1.455 . . . . 0.0 113.613 172.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.15 10.69 30.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 111.998 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.69 17.16 77.97 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-O 118.564 -1.131 . . . . 0.0 114.767 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.23 131.95 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-N 119.432 1.616 . . . . 0.0 109.575 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -101.96 -44.1 5.59 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 112.916 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.4 p -159.29 156.81 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.711 1.205 . . . . 0.0 111.992 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.66 132.69 54.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 109.456 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.67 145.09 24.81 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.127 0.971 . . . . 0.0 112.665 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.86 1.6 53.17 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.62 126.54 31.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 120.437 -1.414 . . . . 0.0 112.307 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -122.73 152.78 40.26 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.809 1.243 . . . . 0.0 113.747 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -139.15 126.78 21.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 127.685 2.394 . . . . 0.0 109.958 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -75.3 135.6 40.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.829 1.195 . . . . 0.0 112.194 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.8 -32.14 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 C-N-CA 124.576 1.15 . . . . 0.0 113.43 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.63 39.3 28.02 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.987 2.115 . . . . 0.0 116.094 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -76.17 129.54 36.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.631 1.172 . . . . 0.0 112.205 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -64.28 127.86 33.3 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.014 0.926 . . . . 0.0 111.483 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 mt -108.5 0.32 20.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.542 1.137 . . . . 0.0 113.092 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.77 163.1 36.15 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 125.343 1.449 . . . . 0.0 114.359 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m120 57.17 22.48 7.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.63 4.39 76.3 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-O 118.277 -1.29 . . . . 0.0 115.626 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -91.22 144.93 25.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.94 1.87 . . . . 0.0 111.203 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 56.4 m -141.75 127.69 19.45 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 125.654 1.581 . . . . 0.0 111.138 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.43 98.99 4.73 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 168.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.16 -55.47 9.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 112.218 -174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -140.56 146.14 37.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.323 1.449 . . . . 0.0 111.893 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.16 141.96 47.94 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.622 1.569 . . . . 0.0 111.964 -166.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.41 -165.87 10.42 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.52 2.486 . . . . 0.0 111.14 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 96.9 p -140.68 161.05 38.68 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 29.3 p90 -130.36 149.83 51.87 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.822 1.249 . . . . 0.0 111.573 168.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.7 m -95.23 134.8 37.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.496 1.518 . . . . 0.0 109.706 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -87.94 162.16 17.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.814 1.246 . . . . 0.0 111.848 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -59.83 -23.77 63.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 114.361 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -92.43 13.77 18.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 114.141 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.93 -9.54 30.87 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 126.159 1.838 . . . . 0.0 116.309 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.8 p -71.03 154.81 41.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.64 1.72 . . . . 0.0 111.97 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 16.8 m -106.62 139.04 41.69 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.532 1.133 . . . . 0.0 110.75 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -136.6 165.01 26.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 124.842 1.257 . . . . 0.0 112.399 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -87.79 144.4 26.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.414 1.486 . . . . 0.0 113.749 -163.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.8 ptm -145.35 167.08 23.76 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.808 1.243 . . . . 0.0 111.282 164.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -166.37 168.3 39.9 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-O 122.05 0.805 . . . . 0.0 114.701 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -98.78 108.18 20.8 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 126.302 1.841 . . . . 0.0 109.102 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.0 mp -101.91 118.48 37.01 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.283 1.033 . . . . 0.0 111.426 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 38.5 tp -97.38 134.17 41.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.947 2.099 . . . . 0.0 111.631 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt -94.04 137.22 33.49 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 172.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -79.81 151.95 30.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.362 1.065 . . . . 0.0 112.555 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -73.34 146.08 45.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.915 0.886 . . . . 0.0 112.1 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.77 127.06 31.76 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.009 -1.057 . . . . 0.0 110.395 166.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -63.19 138.79 58.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.043 1.337 . . . . 0.0 113.216 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 98.0 mt -84.16 103.09 13.08 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 123.452 0.701 . . . . 0.0 110.024 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -110.21 142.08 42.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.373 1.469 . . . . 0.0 111.549 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.5 m 55.21 38.66 30.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.124 1.37 . . . . 0.0 112.901 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.41 -8.13 48.49 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -165.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -102.13 -8.12 21.65 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.898 1.279 . . . . 0.0 113.733 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 61.1 mt -72.74 155.9 39.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.383 1.473 . . . . 0.0 111.718 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 125.534 1.533 . . . . 0.0 112.718 -176.933 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 119.438 -0.315 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.19 31.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -163.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.74 131.46 49.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.844 2.057 . . . . 0.0 108.154 170.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.65 160.57 39.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.812 1.245 . . . . 0.0 113.798 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -115.14 140.57 48.96 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.225 1.81 . . . . 0.0 110.184 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -80.71 103.68 10.71 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.165 0.986 . . . . 0.0 109.566 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.54 -25.55 22.47 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -109.75 6.26 23.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 114.068 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.74 27.76 34.03 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 117.237 1.655 . . . . 0.0 117.237 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -129.58 22.78 5.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.661 1.731 . . . . 0.0 114.392 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.81 155.12 31.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 127.266 2.365 . . . . 0.0 114.055 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mt -76.09 125.59 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 121.515 -0.991 . . . . 0.0 108.829 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.27 150.6 49.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 112.865 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -137.27 157.32 46.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.933 2.093 . . . . 0.0 112.051 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.32 165.37 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.869 2.068 . . . . 0.0 111.572 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.492 0 O-C-N 121.274 -0.891 . . . . 0.0 111.646 161.509 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 113.674 0.23 . . . . 0.0 113.674 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -154.88 171.26 19.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.5 1.12 . . . . 0.0 112.909 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.78 123.15 25.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 124.828 1.251 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.5 p -71.89 140.34 49.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.476 0.71 . . . . 0.0 112.124 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -13.5 12.21 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -155.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.91 -24.02 67.4 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.72 1.145 . . . . 0.0 113.005 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.24 172.26 6.94 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.453 2.301 . . . . 0.0 112.547 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.43 156.5 27.02 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 115.19 0.836 . . . . 0.0 115.19 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.86 141.15 29.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.012 2.125 . . . . 0.0 110.262 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -85.38 127.09 34.24 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 123.74 0.816 . . . . 0.0 110.43 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.24 162.55 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.232 1.413 . . . . 0.0 112.989 -171.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -154.69 129.17 9.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.496 1.518 . . . . 0.0 110.123 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -71.87 114.61 10.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.021 0.439 . . . . 0.0 109.942 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -149.53 -19.73 0.28 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.22 154.27 31.44 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.136 1.374 . . . . 0.0 113.484 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.56 -17.42 62.26 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.2 -14.1 57.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 119.763 1.781 . . . . 0.0 113.912 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -84.65 -16.63 41.25 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.279 1.831 . . . . 0.0 112.665 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.72 139.09 37.45 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.08 1.352 . . . . 0.0 108.719 157.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.93 143.06 41.86 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.594 0.711 . . . . 0.0 111.104 163.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.1 176.11 22.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 125.814 1.674 . . . . 0.0 109.921 -165.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.45 -1.43 10.78 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.524 1.662 . . . . 0.0 115.476 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -102.8 9.27 39.09 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 126.177 1.791 . . . . 0.0 113.094 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 125.453 1.501 . . . . 0.0 112.248 165.131 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -19.21 65.53 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.2 65.36 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.51 -24.59 61.99 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.043 0.838 . . . . 0.0 112.42 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.27 -18.74 64.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.643 1.11 . . . . 0.0 113.441 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -70.99 -17.89 62.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.261 1.024 . . . . 0.0 113.258 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.8 mt -94.36 -12.17 28.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.575 1.55 . . . . 0.0 113.839 -169.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.26 128.52 36.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.15 0.886 . . . . 0.0 109.895 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -89.73 -36.23 15.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -106.51 -15.06 14.89 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.094 1.358 . . . . 0.0 114.1 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.09 33.56 26.11 Favored Glycine 0 C--O 1.221 -0.688 0 CA-C-N 119.903 1.229 . . . . 0.0 114.2 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -84.48 -12.92 53.37 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.304 1.052 . . . . 0.0 112.307 168.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.317 5.9 t30 68.27 29.72 5.88 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 128.353 2.661 . . . . 0.0 115.854 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.2 pt -128.07 144.92 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 124.414 1.086 . . . . 0.0 111.518 161.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 104.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -135.38 173.15 12.04 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.597 1.159 . . . . 0.0 111.845 -172.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.39 9.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.5 -17.36 45.4 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.384 -1.448 . . . . 0.0 114.61 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -78.14 136.96 37.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 120.758 1.617 . . . . 0.0 113.363 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.05 80.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.025 -1.047 . . . . 0.0 113.313 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.1 65.12 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -59.71 -34.94 73.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 119.409 1.004 . . . . 0.0 112.258 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.75 -23.4 39.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.835 0.854 . . . . 0.0 112.881 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m -82.64 -30.18 29.56 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.949 1.3 . . . . 0.0 114.173 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.33 147.0 53.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.625 1.17 . . . . 0.0 110.933 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -141.87 166.83 23.66 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.738 1.615 . . . . 0.0 111.009 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.1 t -122.44 140.72 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.876 1.27 . . . . 0.0 109.695 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -117.84 130.35 56.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -129.73 109.22 10.79 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.765 1.626 . . . . 0.0 110.904 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -104.05 119.21 38.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.456 1.103 . . . . 0.0 110.586 -175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.7 mt -88.14 -12.58 43.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.143 1.777 . . . . 0.0 113.08 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -113.82 -13.2 12.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.205 1.402 . . . . 0.0 113.38 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 55.64 38.04 29.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.021 2.129 . . . . 0.0 115.253 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.87 -3.97 58.89 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 114.656 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.47 -13.15 29.76 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.145 1.355 . . . . 0.0 115.413 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.6 mm -90.34 136.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.326 1.063 . . . . 0.0 108.915 169.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -95.14 123.3 38.56 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.66 1.184 . . . . 0.0 110.171 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -112.09 158.32 19.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.691 1.596 . . . . 0.0 111.546 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.3 70.35 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -68.72 -19.0 64.34 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.86 -5.35 58.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.594 1.558 . . . . 0.0 113.016 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.51 150.72 23.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.113 1.765 . . . . 0.0 112.922 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -135.98 135.37 39.48 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.498 2.319 . . . . 0.0 111.063 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.4 p -76.65 159.41 30.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.733 0.697 . . . . 0.0 111.102 162.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.39 -36.78 85.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.259 -0.9 . . . . 0.0 112.409 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -69.47 -40.01 77.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.403 0.681 . . . . 0.0 112.07 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.37 -21.42 63.8 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 tp -94.01 3.34 55.48 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.255 1.822 . . . . 0.0 113.314 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 24.86 74.21 Favored Glycine 0 C--N 1.335 0.485 0 O-C-N 120.817 -1.177 . . . . 0.0 114.537 176.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -84.67 141.22 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 124.92 1.288 . . . . 0.0 109.105 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.22 -39.65 3.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.844 1.258 . . . . 0.0 113.0 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 p -157.25 156.73 33.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -114.98 138.67 50.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.541 1.936 . . . . 0.0 109.367 169.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -85.8 133.88 33.96 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.458 0.703 . . . . 0.0 112.591 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.13 41.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.876 1.271 . . . . 0.0 111.958 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.36 127.75 22.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.474 1.509 . . . . 0.0 111.128 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -142.6 161.67 37.46 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.605 1.562 . . . . 0.0 113.747 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -121.74 144.71 48.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.749 2.019 . . . . 0.0 110.718 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.53 125.84 29.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.377 1.071 . . . . 0.0 111.263 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.91 -26.42 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 m120 47.15 41.42 11.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.431 1.893 . . . . 0.0 114.462 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -96.39 138.46 33.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.734 2.014 . . . . 0.0 110.864 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -74.13 146.24 43.69 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 111.071 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.04 5.82 12.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.41 1.484 . . . . 0.0 113.378 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.17 165.05 22.97 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 124.944 1.259 . . . . 0.0 114.446 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 50.24 28.54 3.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 114.357 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.63 8.73 85.67 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 125.195 1.379 . . . . 0.0 115.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.98 155.22 16.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.264 1.532 . . . . 0.0 111.915 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.9 m -138.61 146.02 41.25 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.165 1.386 . . . . 0.0 111.518 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 tp -107.28 109.56 21.36 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 127.247 2.219 . . . . 0.0 108.912 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.58 6.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.935 -0.478 . . . . 0.0 112.031 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -141.83 143.27 33.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.632 1.573 . . . . 0.0 110.139 -165.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -135.06 128.71 32.78 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.897 0.879 . . . . 0.0 112.311 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -123.43 -153.02 8.61 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 127.583 2.516 . . . . 0.0 111.878 167.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.3 p -148.96 155.27 40.59 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -162.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -143.89 159.46 42.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.048 1.339 . . . . 0.0 113.349 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.6 m -115.27 135.57 54.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.43 1.892 . . . . 0.0 111.313 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.39 153.58 17.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 126.47 1.908 . . . . 0.0 111.677 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.7 p -59.37 -31.89 69.63 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.569 1.147 . . . . 0.0 112.927 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -72.86 3.0 5.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.627 1.571 . . . . 0.0 114.908 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.74 5.58 87.98 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.29 1.424 . . . . 0.0 116.042 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 26.0 m -83.01 146.2 28.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.258 1.023 . . . . 0.0 110.925 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 p -118.64 144.67 46.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.798 1.239 . . . . 0.0 112.767 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.64 169.18 22.77 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 113.763 -171.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -85.17 148.5 26.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 113.022 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.9 ptm -142.11 153.85 44.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.618 1.167 . . . . 0.0 110.066 166.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.8 167.49 40.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -93.64 127.07 39.15 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.779 2.031 . . . . 0.0 111.386 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.12 150.9 42.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.994 1.717 . . . . 0.0 112.079 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -110.86 126.4 54.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.49 1.116 . . . . 0.0 108.021 160.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 CA--C 1.521 -0.152 0 C-N-CA 124.508 1.123 . . . . 0.0 111.142 -179.404 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.97 14.69 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -166.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.84 112.56 14.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.281 1.832 . . . . 0.0 109.503 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.85 150.88 36.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.185 0.994 . . . . 0.0 113.144 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -114.36 134.72 54.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 126.005 1.722 . . . . 0.0 109.59 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.03 108.53 7.83 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 163.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.0 -9.97 49.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.144 -0.972 . . . . 0.0 113.613 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -110.68 -20.73 12.41 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -170.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.25 36.95 6.84 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-O 119.286 -0.73 . . . . 0.0 114.118 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -145.36 26.63 1.3 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.113 1.365 . . . . 0.0 113.864 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 161.05 26.23 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 125.095 1.331 . . . . 0.0 114.299 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.77 132.83 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.268 1.027 . . . . 0.0 110.549 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -137.28 157.48 46.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.9 p -132.25 159.98 37.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.983 1.313 . . . . 0.0 113.57 -164.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 m -134.54 162.25 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 128.703 2.801 . . . . 0.0 110.623 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 O-C-N 121.058 -1.026 . . . . 0.0 112.242 177.286 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.48 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -152.58 171.99 17.29 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.96 2.104 . . . . 0.0 110.311 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 m -75.29 147.06 8.54 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 O-C-N 120.112 -1.617 . . . . 0.0 112.8 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -61.87 154.13 27.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.091 0.957 . . . . 0.0 112.102 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -10.92 45.71 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 120.68 -1.263 . . . . 0.0 113.303 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.3 -21.83 64.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.444 1.497 . . . . 0.0 113.255 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -128.08 -172.24 2.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.406 3.082 . . . . 0.0 112.411 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.79 168.28 37.57 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 120.187 -1.57 . . . . 0.0 114.935 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.46 145.29 30.49 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.725 1.61 . . . . 0.0 112.608 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -82.42 128.74 34.54 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.865 0.866 . . . . 0.0 111.309 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.81 160.41 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 125.12 1.368 . . . . 0.0 113.931 -168.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -153.96 138.81 17.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.133 2.173 . . . . 0.0 111.194 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.7 128.25 33.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 122.007 -0.433 . . . . 0.0 111.577 174.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.63 -8.1 1.1 Allowed 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -119.66 150.08 40.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.766 1.226 . . . . 0.0 111.934 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.14 -27.95 60.71 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 124.554 1.073 . . . . 0.0 115.769 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.44 -16.3 62.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.4 -16.12 53.12 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.083 1.353 . . . . 0.0 112.848 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.7 mt -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.245 -0.909 . . . . 0.0 111.363 160.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -70.34 127.2 31.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 154.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.41 -179.48 38.5 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.671 1.605 . . . . 0.0 110.649 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.16 1.35 7.68 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.431 1.616 . . . . 0.0 115.266 -174.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 3.7 35.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.02 1.728 . . . . 0.0 112.541 168.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.443 -0.778 0 O-C-N 120.315 -1.49 . . . . 0.0 112.617 -177.215 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.1 75.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.174 -0.954 . . . . 0.0 112.747 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.16 -32.14 73.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -71.32 -38.93 71.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 118.843 0.747 . . . . 0.0 111.733 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.41 68.03 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -71.85 -3.29 21.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.87 0.43 46.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.466 1.506 . . . . 0.0 114.924 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.08 122.72 25.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 118.787 0.721 . . . . 0.0 111.484 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -83.45 -37.41 23.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -109.32 -16.68 13.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.707 1.603 . . . . 0.0 115.311 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.22 27.54 27.76 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.96 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -84.04 -2.54 56.87 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.35 1.575 . . . . 0.0 113.015 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 t30 65.68 24.54 11.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.339 1.856 . . . . 0.0 114.933 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.3 pt -133.52 155.34 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 125.522 1.529 . . . . 0.0 112.148 167.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.49 112.31 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 124.959 1.304 . . . . 0.0 108.503 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -141.65 172.84 12.14 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.572 1.949 . . . . 0.0 111.729 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.92 -15.55 22.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.987 2.217 . . . . 0.0 116.987 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.66 -16.21 45.95 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.685 1.194 . . . . 0.0 114.127 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.58 132.21 38.2 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.596 1.158 . . . . 0.0 110.784 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.88 76.48 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.654 -1.279 . . . . 0.0 113.923 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.11 66.49 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.38 -34.44 61.24 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.508 1.123 . . . . 0.0 113.064 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.81 -30.78 71.07 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.332 1.453 . . . . 0.0 113.569 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -92.46 -14.35 28.62 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.824 1.649 . . . . 0.0 113.612 -173.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.29 143.99 57.48 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 111.541 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.7 168.47 19.22 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.928 1.691 . . . . 0.0 109.677 166.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.7 t -118.63 135.2 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 124.771 1.228 . . . . 0.0 109.426 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -109.09 124.59 51.03 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.32 1.048 . . . . 0.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -123.85 99.55 6.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.914 1.286 . . . . 0.0 110.427 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -93.66 129.0 40.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.722 0.809 . . . . 0.0 112.418 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.5 mt -88.68 -22.9 23.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.462 1.505 . . . . 0.0 114.984 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -114.27 -8.29 12.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.353 1.461 . . . . 0.0 114.692 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 54.53 36.09 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.837 2.055 . . . . 0.0 114.467 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.72 5.64 31.3 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -173.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.95 5.86 88.92 Favored Glycine 0 N--CA 1.445 -0.743 0 O-C-N 120.608 -1.307 . . . . 0.0 115.754 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.4 tt -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 119.788 1.794 . . . . 0.0 111.156 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.0 p -107.88 162.03 14.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.519 1.128 . . . . 0.0 113.664 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 168.72 19.1 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.906 2.082 . . . . 0.0 109.487 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.47 67.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.19 -21.15 62.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -95.12 -17.85 21.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.358 1.063 . . . . 0.0 113.191 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.36 123.33 45.27 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.297 1.439 . . . . 0.0 110.706 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -125.63 152.94 44.51 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.569 1.547 . . . . 0.0 112.493 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.1 p -82.17 159.05 23.39 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.625 1.17 . . . . 0.0 112.57 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.37 -33.71 76.49 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.247 -0.908 . . . . 0.0 111.058 168.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.57 -46.91 88.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.84 1.256 . . . . 0.0 113.418 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.48 -17.27 58.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 119.423 1.01 . . . . 0.0 113.331 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.46 -4.51 58.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.88 1.272 . . . . 0.0 112.779 165.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.54 75.87 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 125.368 1.461 . . . . 0.0 115.06 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.81 127.78 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 119.109 1.455 . . . . 0.0 109.972 -173.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.95 -36.27 9.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.577 1.551 . . . . 0.0 112.686 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.9 p -157.56 162.55 38.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt -112.79 139.25 48.57 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.828 1.651 . . . . 0.0 110.338 168.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.75 153.37 40.04 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 118.809 0.731 . . . . 0.0 112.794 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.6 mt -105.62 -8.11 18.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.17 134.14 35.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.253 0.621 . . . . 0.0 111.506 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.32 161.82 41.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 111.788 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -137.33 148.22 46.15 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 112.091 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.06 132.3 52.42 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.887 1.275 . . . . 0.0 111.906 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.66 -25.1 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 114.128 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 m120 47.14 43.03 13.95 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.492 1.917 . . . . 0.0 115.308 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -83.34 133.44 34.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.628 1.971 . . . . 0.0 112.281 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -76.32 132.46 39.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.572 0.749 . . . . 0.0 111.244 167.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -106.54 -1.72 22.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.5 1.52 . . . . 0.0 113.705 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.87 163.27 38.54 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 126.571 2.034 . . . . 0.0 114.657 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.6 t30 57.35 17.24 3.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.067 1.747 . . . . 0.0 115.583 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.63 4.29 57.09 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 126.348 1.928 . . . . 0.0 115.739 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -93.97 146.83 23.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.907 1.353 . . . . 0.0 111.599 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -140.73 140.58 34.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.7 1.2 . . . . 0.0 111.277 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.8 tp -106.97 111.11 23.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.771 2.028 . . . . 0.0 109.339 167.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.2 -53.8 6.06 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.11 139.66 41.39 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.137 1.375 . . . . 0.0 110.626 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -131.37 138.01 48.96 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.774 1.229 . . . . 0.0 111.997 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.5 -148.54 6.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 128.656 3.027 . . . . 0.0 111.912 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.3 t -147.29 162.59 38.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.405 1.082 . . . . 0.0 113.496 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -130.3 158.83 38.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.655 1.582 . . . . 0.0 111.89 165.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.3 m -120.95 137.93 54.38 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.631 1.572 . . . . 0.0 111.623 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -102.89 162.55 12.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.838 1.655 . . . . 0.0 114.449 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.4 p -60.28 -34.8 74.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.523 1.929 . . . . 0.0 113.556 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 -77.97 2.68 16.81 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.64 -5.04 82.44 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.115 1.817 . . . . 0.0 115.596 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 62.4 p -76.42 154.63 34.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 119.553 1.677 . . . . 0.0 112.982 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 32.2 p -128.35 151.57 49.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.0 1.72 . . . . 0.0 111.47 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.69 160.88 43.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.392 1.077 . . . . 0.0 111.255 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.14 151.95 38.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.8 ptm -143.93 155.93 44.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.77 1.628 . . . . 0.0 110.951 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -172.82 166.02 38.53 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 118.559 2.184 . . . . 0.0 118.559 -172.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -76.83 113.71 14.8 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.239 2.215 . . . . 0.0 110.931 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.24 129.77 55.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.171 1.388 . . . . 0.0 111.738 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.61 111.21 23.38 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 107.636 167.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.838 0.855 . . . . 0.0 111.839 -173.614 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.99 166.05 28.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.33 133.31 53.74 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.291 1.437 . . . . 0.0 111.304 162.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.0 147.24 49.59 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 125.605 1.562 . . . . 0.0 112.747 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.88 140.31 49.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.066 1.746 . . . . 0.0 110.106 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -97.51 115.05 27.08 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.27 -17.2 63.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -112.89 -2.81 14.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.641 1.976 . . . . 0.0 114.4 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.52 12.52 73.56 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 126.773 2.13 . . . . 0.0 117.0 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.66 -32.11 57.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 120.06 1.93 . . . . 0.0 114.135 -168.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.52 131.05 2.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 126.229 1.871 . . . . 0.0 110.614 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.91 131.29 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 O-C-N 120.869 -1.371 . . . . 0.0 110.435 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.83 150.43 39.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.301 1.84 . . . . 0.0 113.65 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -138.99 160.54 39.54 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.287 1.435 . . . . 0.0 114.153 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.26 170.06 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 127.763 2.425 . . . . 0.0 111.569 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 C-N-CA 122.93 0.492 . . . . 0.0 110.982 155.441 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.013 0 N-CA-C 114.571 0.588 . . . . 0.0 114.571 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -152.45 171.89 17.37 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -78.58 146.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 124.099 0.96 . . . . 0.0 112.018 169.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -65.4 157.6 28.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 121.729 -0.607 . . . . 0.0 112.355 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.65 56.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.274 1.429 . . . . 0.0 114.156 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.37 -25.57 68.09 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.865 2.466 . . . . 0.0 114.823 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -120.57 177.1 5.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.246 2.218 . . . . 0.0 111.852 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.96 170.57 34.3 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.218 -1.551 . . . . 0.0 116.151 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.0 mt -106.38 150.18 26.26 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.428 1.491 . . . . 0.0 113.072 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -89.32 117.93 28.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.54 150.09 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 125.585 1.554 . . . . 0.0 112.945 -166.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.84 142.86 23.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.483 1.113 . . . . 0.0 111.642 169.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -78.82 114.03 17.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.529 0.681 . . . . 0.0 111.36 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.443 -0.823 0 C-N-CA 124.144 0.978 . . . . 0.0 112.235 179.544 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -155.0 -20.93 0.12 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -104.11 146.11 29.22 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.309 1.044 . . . . 0.0 111.516 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.66 -33.31 81.79 Favored Glycine 0 CA--C 1.525 0.706 0 O-C-N 121.211 -0.931 . . . . 0.0 114.42 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.71 -9.38 58.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.9 -21.15 51.67 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.977 1.311 . . . . 0.0 112.493 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.21 135.02 36.67 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.176 2.19 . . . . 0.0 110.995 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -71.62 134.0 46.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.943 -0.473 . . . . 0.0 111.68 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.78 37.0 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.418 1.961 . . . . 0.0 110.125 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.29 -6.62 24.97 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -173.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -119.23 25.33 10.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.236 1.414 . . . . 0.0 112.805 170.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.443 -0.785 0 O-C-N 121.104 -0.997 . . . . 0.0 111.842 169.334 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.1 p90 . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.3 62.99 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 119.478 1.035 . . . . 0.0 112.804 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.18 -37.57 63.9 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.988 0.915 . . . . 0.0 112.546 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.47 -33.75 76.39 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.198 0.999 . . . . 0.0 112.794 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -17.27 60.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.35 -22.61 65.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.749 -1.219 . . . . 0.0 113.542 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.43 -12.85 60.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -171.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -72.43 124.83 25.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.271 0.941 . . . . 0.0 112.281 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -91.52 -35.47 14.28 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -111.15 -7.84 14.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.928 1.691 . . . . 0.0 114.402 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.55 24.12 59.21 Favored Glycine 0 C--N 1.342 0.897 0 O-C-N 121.07 -1.018 . . . . 0.0 114.739 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -80.94 -3.37 51.3 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.693 1.246 . . . . 0.0 113.114 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.59 22.26 10.56 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 126.88 2.072 . . . . 0.0 114.411 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 pt -130.2 143.71 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.85 1.26 . . . . 0.0 111.141 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -96.94 107.83 20.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -138.76 171.94 13.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.933 0.893 . . . . 0.0 112.971 -167.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.21 13.24 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.71 -12.95 49.9 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.62 133.97 39.46 Favored 'General case' 0 C--O 1.226 -0.179 0 O-C-N 121.119 -0.988 . . . . 0.0 110.619 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.13 73.02 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 120.402 -1.436 . . . . 0.0 113.908 -169.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -17.18 64.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.736 1.214 . . . . 0.0 114.205 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -66.37 -30.39 70.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 120.212 1.369 . . . . 0.0 112.781 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.03 -15.64 61.51 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -2.02 22.76 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.877 1.271 . . . . 0.0 113.757 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.4 tp -83.86 129.98 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.212 1.405 . . . . 0.0 110.853 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -132.86 163.84 28.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.648 1.579 . . . . 0.0 112.53 -169.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -123.4 136.91 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.767 1.627 . . . . 0.0 109.541 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -107.0 116.95 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.066 1.746 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -114.18 101.04 8.83 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 125.396 1.478 . . . . 0.0 109.172 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.14 137.24 56.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.291 1.037 . . . . 0.0 111.449 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.62 -29.99 36.8 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.01 -12.76 14.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.159 1.383 . . . . 0.0 113.783 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 57.54 52.67 8.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.842 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -98.96 -16.22 18.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.047 0.939 . . . . 0.0 113.165 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.22 22.71 77.33 Favored Glycine 0 N--CA 1.444 -0.77 0 O-C-N 121.486 -0.759 . . . . 0.0 113.144 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.6 mm -110.1 123.38 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 170.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -89.7 141.78 28.29 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -167.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -137.32 146.15 44.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 125.772 1.629 . . . . 0.0 110.387 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.55 66.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -63.99 -16.61 61.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -90.56 -1.02 57.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.484 1.514 . . . . 0.0 113.961 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.0 mt -96.3 154.27 17.35 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 126.011 1.725 . . . . 0.0 112.811 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.71 151.9 32.04 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.426 1.49 . . . . 0.0 111.892 167.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.0 p -83.42 153.52 24.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.831 0.853 . . . . 0.0 112.655 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -38.79 88.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.581 -0.699 . . . . 0.0 112.566 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -34.24 72.05 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 121.351 -0.843 . . . . 0.0 112.243 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -72.83 -29.69 63.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.389 -0.819 . . . . 0.0 112.713 172.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.79 -8.58 57.2 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.052 1.741 . . . . 0.0 113.727 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.37 19.95 77.62 Favored Glycine 0 C--N 1.334 0.438 0 CA-C-N 119.602 1.092 . . . . 0.0 115.088 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 69.2 mt -88.85 129.3 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.849 1.66 . . . . 0.0 108.75 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -106.97 -38.93 5.9 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.052 0.941 . . . . 0.0 113.381 -171.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 p -154.25 148.62 26.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.6 mt -109.36 133.87 52.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.633 1.973 . . . . 0.0 109.815 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.95 136.88 33.42 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.293 0.637 . . . . 0.0 111.354 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.14 -16.06 48.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.802 1.241 . . . . 0.0 113.894 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.92 145.86 33.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.586 1.085 . . . . 0.0 112.816 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.9 160.79 38.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.917 1.687 . . . . 0.0 112.933 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -133.04 145.23 50.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.578 1.951 . . . . 0.0 109.494 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . 0.276 3.0 p30 -79.83 151.3 30.34 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.155 0.979 . . . . 0.0 112.947 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.75 -31.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.931 1.692 . . . . 0.0 112.825 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.1 m120 48.31 59.71 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.288 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.08 140.52 48.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.762 1.625 . . . . 0.0 112.516 -173.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.9 141.3 32.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.348 1.059 . . . . 0.0 111.006 165.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.4 mt -110.51 8.22 22.93 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.645 1.578 . . . . 0.0 113.672 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.0 164.64 30.08 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 125.371 1.463 . . . . 0.0 113.022 -164.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.5 10.68 1.02 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.909 1.684 . . . . 0.0 114.95 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.16 13.49 73.15 Favored Glycine 0 N--CA 1.442 -0.943 0 O-C-N 119.865 -1.772 . . . . 0.0 114.966 -171.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -77.87 144.07 37.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.333 1.566 . . . . 0.0 110.018 165.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.1 m -140.27 137.93 34.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -162.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.1 tp -107.11 113.63 27.2 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.904 2.082 . . . . 0.0 110.198 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.71 -52.7 5.88 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 124.208 1.003 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.19 153.33 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.202 1.801 . . . . 0.0 111.039 -174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -130.96 147.09 52.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 0.0 111.448 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.52 -170.63 16.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 127.297 2.379 . . . . 0.0 112.06 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -142.2 143.73 33.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 17.8 p90 -124.28 160.05 28.85 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.825 1.25 . . . . 0.0 111.726 168.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 88.7 m -119.62 139.69 51.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.519 1.528 . . . . 0.0 111.296 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -100.33 162.43 12.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 112.896 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 28.1 p -62.76 -25.72 68.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -80.99 9.97 5.79 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.74 -11.53 59.21 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 125.811 1.672 . . . . 0.0 115.6 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.6 p -78.24 162.64 26.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 118.959 1.38 . . . . 0.0 112.674 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 55.7 p -114.5 161.27 18.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -155.14 163.06 40.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.56 1.144 . . . . 0.0 112.433 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -82.16 143.67 31.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.712 1.605 . . . . 0.0 113.555 -170.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.5 ptm -135.12 164.81 26.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.042 1.337 . . . . 0.0 110.102 162.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.71 171.38 39.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -112.72 113.4 25.49 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.243 1.817 . . . . 0.0 110.441 -172.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.85 147.09 35.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.078 1.351 . . . . 0.0 113.537 -170.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 41.9 tp -115.65 116.73 28.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.962 1.305 . . . . 0.0 109.204 159.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 125.507 1.523 . . . . 0.0 111.279 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -158.81 168.65 26.27 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.527 1.531 . . . . 0.0 112.807 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.67 134.84 34.35 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.071 0.948 . . . . 0.0 112.729 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.01 160.69 31.15 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.386 1.874 . . . . 0.0 113.062 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.9 143.4 50.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.54 1.936 . . . . 0.0 111.217 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -86.75 120.75 28.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.438 1.095 . . . . 0.0 111.426 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -88.74 -13.72 38.89 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.546 1.138 . . . . 0.0 113.696 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.15 -17.71 13.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.708 1.203 . . . . 0.0 113.617 -172.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.37 36.46 49.9 Favored Glycine 0 C--O 1.219 -0.787 0 C-N-CA 123.705 0.669 . . . . 0.0 113.819 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -124.11 -13.95 7.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.622 1.569 . . . . 0.0 113.172 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 150.55 6.46 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 126.551 2.024 . . . . 0.0 112.337 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.96 132.84 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.166 1.386 . . . . 0.0 109.614 174.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -138.34 149.86 46.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.874 1.67 . . . . 0.0 112.796 -168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -143.07 163.09 33.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.171 1.788 . . . . 0.0 113.45 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.81 174.72 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 128.334 2.654 . . . . 0.0 110.663 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.896 0 O-C-N 121.04 -1.037 . . . . 0.0 111.565 156.489 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.413 0 CA-C-O 120.337 -0.146 . . . . 0.0 113.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -148.59 167.37 25.62 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 117.75 0.775 . . . . 0.0 112.018 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.85 151.07 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 112.069 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -63.03 158.74 18.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 111.028 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -9.95 29.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 120.349 -1.47 . . . . 0.0 113.295 170.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.87 3.17 35.0 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 129.338 3.055 . . . . 0.0 113.88 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.34 178.54 8.68 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 130.241 3.416 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.62 163.52 32.63 Favored Glycine 0 N--CA 1.438 -1.223 0 O-C-N 119.848 -1.782 . . . . 0.0 115.407 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 134.97 52.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.036 1.734 . . . . 0.0 110.465 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -81.95 122.99 28.47 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.699 1.199 . . . . 0.0 112.233 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.7 m -145.46 165.76 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.144 1.378 . . . . 0.0 113.452 -168.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -147.36 138.27 23.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.772 2.029 . . . . 0.0 111.563 169.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -82.93 120.66 25.98 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 121.743 -0.598 . . . . 0.0 110.556 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.803 . . . . 0.0 113.999 -175.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.647 ' N ' ' HG ' ' A' ' 114' ' ' SER . 40.2 mm . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.411 0.624 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -136.08 -5.11 2.13 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.45 145.99 47.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.617 1.099 . . . . 0.0 111.741 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.36 -19.04 45.55 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.78 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.79 1.295 . . . . 0.0 114.019 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -85.87 -7.25 58.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.623 1.569 . . . . 0.0 114.618 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -91.97 152.06 20.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.776 1.23 . . . . 0.0 110.172 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.03 128.4 35.72 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.714 -0.616 . . . . 0.0 111.57 167.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 177.71 -153.68 13.8 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.212 0.911 . . . . 0.0 112.157 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -27.08 62.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.491 1.116 . . . . 0.0 111.538 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.4 7.51 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.574 -1.329 . . . . 0.0 113.357 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 123.866 0.866 . . . . 0.0 110.628 175.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.87 58.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.442 -1.411 . . . . 0.0 113.126 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.42 -44.8 34.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.641 0.776 . . . . 0.0 112.5 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.96 -34.36 77.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.49 78.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -82.91 -14.53 54.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.8 mt -80.48 -21.9 41.54 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.198 -0.939 . . . . 0.0 112.437 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.55 119.66 8.48 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.625 1.17 . . . . 0.0 111.486 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.0 m -72.21 -19.98 61.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.589 1.155 . . . . 0.0 113.947 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -104.65 -16.25 15.04 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.354 1.462 . . . . 0.0 113.183 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.91 42.49 37.63 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.012 1.291 . . . . 0.0 115.289 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.39 12.89 15.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.14 1.376 . . . . 0.0 113.677 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 t30 58.71 24.57 12.36 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.854 2.461 . . . . 0.0 115.129 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.58 131.17 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.016 1.327 . . . . 0.0 108.187 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.0 mm -89.28 107.46 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -130.03 168.17 17.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.097 1.359 . . . . 0.0 111.859 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.54 13.98 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.88 -23.04 63.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.2 142.61 31.05 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.718 1.207 . . . . 0.0 112.898 -173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.0 90.97 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 120.817 -1.177 . . . . 0.0 113.898 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.97 66.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.411 1.084 . . . . 0.0 113.583 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -57.48 -29.24 64.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.923 0.889 . . . . 0.0 112.229 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.72 -31.12 59.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.271 1.428 . . . . 0.0 112.842 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 m -83.34 -30.42 27.49 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.772 1.229 . . . . 0.0 113.755 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.56 149.0 40.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.023 0.929 . . . . 0.0 113.053 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -134.65 156.73 48.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.763 1.625 . . . . 0.0 110.354 171.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.38 128.21 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 124.058 0.943 . . . . 0.0 108.809 170.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.31 116.36 28.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.204 1.002 . . . . 0.0 109.011 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.54 108.05 17.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.006 1.723 . . . . 0.0 108.831 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -107.02 116.28 31.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.905 0.882 . . . . 0.0 111.214 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.49 -12.34 60.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -112.82 -16.76 12.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 46.8 65.19 1.28 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 126.468 1.907 . . . . 0.0 113.161 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -115.88 -8.57 11.92 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.599 1.56 . . . . 0.0 114.06 -171.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.98 10.95 84.12 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 125.225 1.393 . . . . 0.0 114.69 -173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.9 125.84 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-N 119.784 1.792 . . . . 0.0 108.523 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.647 ' HG ' ' N ' ' A' ' 55' ' ' ILE . 31.0 t -82.3 137.92 34.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.52 0.728 . . . . 0.0 111.922 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.1 147.46 51.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.521 1.128 . . . . 0.0 110.379 165.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.76 76.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -62.26 -19.32 63.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -86.06 -7.61 58.5 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.776 1.63 . . . . 0.0 112.9 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.95 127.39 36.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.754 1.222 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -106.81 140.23 39.97 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.508 1.923 . . . . 0.0 109.892 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -72.13 159.12 34.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 161.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.32 -32.93 73.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.212 -0.93 . . . . 0.0 111.781 171.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.18 -34.49 63.79 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.35 -19.45 63.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.445 -2.034 . . . . 0.0 113.631 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.72 -2.14 58.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.619 1.568 . . . . 0.0 112.783 170.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.12 25.08 74.61 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.523 1.059 . . . . 0.0 114.753 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.7 mt -77.29 142.81 13.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 118.486 1.143 . . . . 0.0 109.559 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.0 -47.99 3.16 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.312 1.445 . . . . 0.0 112.537 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -155.55 143.41 19.82 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.6 mt -117.24 100.35 7.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.254 2.622 . . . . 0.0 109.431 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -79.99 119.5 22.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.749 0.82 . . . . 0.0 111.007 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.4 mt -80.59 2.7 24.55 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 114.733 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.45 41.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.442 1.019 . . . . 0.0 112.046 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -146.58 152.28 38.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -116.14 143.13 45.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.974 2.51 . . . . 0.0 110.49 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.26 129.47 40.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.715 1.206 . . . . 0.0 110.63 171.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.14 -28.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m120 48.5 51.2 15.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.93 2.092 . . . . 0.0 115.707 166.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.35 140.32 31.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.79 1.636 . . . . 0.0 112.787 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -81.47 128.13 33.55 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.196 0.998 . . . . 0.0 108.879 162.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 37.4 mt -109.24 9.19 25.97 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 113.668 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 82.59 164.12 34.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 124.572 1.082 . . . . 0.0 113.638 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 53.33 29.38 8.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.06 1.744 . . . . 0.0 114.88 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.76 2.78 78.16 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 126.201 1.858 . . . . 0.0 115.28 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -95.15 144.15 26.01 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.977 1.311 . . . . 0.0 112.816 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -136.16 138.73 42.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 111.753 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -106.6 104.7 14.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.658 1.583 . . . . 0.0 109.186 168.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.03 -47.47 11.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -133.09 134.64 44.55 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.395 1.478 . . . . 0.0 110.721 -168.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -137.24 136.23 37.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.963 1.305 . . . . 0.0 113.116 -170.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.82 -167.27 13.28 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 127.221 2.344 . . . . 0.0 112.436 165.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.6 t -140.02 149.42 43.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.896 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -130.15 165.92 21.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.517 1.527 . . . . 0.0 112.292 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 83.0 m -128.3 141.43 51.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.351 1.061 . . . . 0.0 112.087 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -101.75 159.97 14.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.594 1.958 . . . . 0.0 113.408 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 61.8 p -64.19 -27.97 69.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -77.98 -1.65 33.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.64 -6.67 74.26 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.693 1.616 . . . . 0.0 115.302 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 65.1 p -75.16 155.94 36.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.814 1.307 . . . . 0.0 112.114 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 64.2 p -135.07 152.28 51.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.003 1.321 . . . . 0.0 111.933 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.2 40.32 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.263 1.425 . . . . 0.0 111.434 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -77.65 156.51 30.7 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.0 ptm -139.47 157.91 45.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.533 1.933 . . . . 0.0 109.64 167.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.79 174.19 43.04 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 121.191 1.814 . . . . 0.0 117.493 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -85.07 108.69 17.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.23 1.812 . . . . 0.0 110.41 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.4 mt -96.45 127.77 42.76 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.287 1.435 . . . . 0.0 110.608 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -89.81 111.0 21.89 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 158.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.514 -0.41 0 C-N-CA 123.963 0.905 . . . . 0.0 110.757 -179.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 121.383 0.611 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.87 163.88 34.67 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.609 1.164 . . . . 0.0 109.994 170.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.81 116.97 9.91 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.66 168.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.91 146.19 40.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.553 1.541 . . . . 0.0 110.837 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.22 133.02 55.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.706 1.602 . . . . 0.0 110.52 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -77.23 124.65 28.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -81.92 -18.71 42.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.07 -22.12 11.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -166.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.88 43.09 18.65 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.925 0.784 . . . . 0.0 112.81 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -138.48 7.0 2.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.203 1.801 . . . . 0.0 114.428 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.98 24.0 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 125.92 1.724 . . . . 0.0 114.572 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.66 122.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 C-N-CA 124.777 1.231 . . . . 0.0 109.351 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -104.48 144.45 31.66 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.925 1.29 . . . . 0.0 113.111 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -138.37 148.93 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.652 1.181 . . . . 0.0 112.275 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -145.74 164.62 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 C-N-CA 126.594 1.958 . . . . 0.0 111.817 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.226 0 C-N-CA 125.639 1.576 . . . . 0.0 109.902 169.422 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.039 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -134.53 165.86 24.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.793 1.637 . . . . 0.0 111.539 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.44 128.13 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 120.489 -1.382 . . . . 0.0 110.843 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -54.23 156.45 3.16 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.389 1.876 . . . . 0.0 113.523 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.48 2.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 113.892 168.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.47 -20.7 50.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.572 1.549 . . . . 0.0 115.083 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.75 -177.84 5.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 127.045 2.138 . . . . 0.0 111.818 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.54 178.74 33.73 Favored Glycine 0 N--CA 1.443 -0.871 0 O-C-N 119.066 -2.271 . . . . 0.0 117.664 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.99 146.65 41.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.639 1.976 . . . . 0.0 113.245 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.43 124.37 29.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.632 1.173 . . . . 0.0 111.343 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.19 159.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.767 1.227 . . . . 0.0 113.384 -170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -156.74 116.43 3.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -70.72 119.72 15.27 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.395 1.078 . . . . 0.0 110.278 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 N--CA 1.447 -0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 113.105 -178.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.02 -6.45 0.75 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -120.17 149.05 42.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.822 1.649 . . . . 0.0 110.519 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.79 -27.42 72.03 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 120.143 -1.598 . . . . 0.0 115.598 -168.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -7.78 48.75 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.21 -7.38 53.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 113.394 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 144.02 28.19 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.774 1.23 . . . . 0.0 109.334 164.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -74.04 106.08 5.56 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 167.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -169.46 -161.24 19.48 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.609 2.052 . . . . 0.0 112.162 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -77.41 9.1 3.47 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.863 -1.375 . . . . 0.0 114.269 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -121.42 1.77 10.18 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.797 1.239 . . . . 0.0 113.772 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.515 -0.378 0 C-N-CA 124.878 1.271 . . . . 0.0 113.741 -170.17 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.446 -0.65 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.843 1.202 . . . . 0.0 112.305 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.85 63.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 173.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.77 -40.69 20.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.948 1.299 . . . . 0.0 111.943 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.61 -23.16 67.17 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.856 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.41 -20.95 65.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.813 1.645 . . . . 0.0 113.631 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.2 mt -96.57 -8.69 31.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.444 1.498 . . . . 0.0 114.12 -167.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -70.38 113.05 7.15 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 120.023 1.283 . . . . 0.0 109.966 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.7 p -86.12 -14.89 42.84 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.19 1.396 . . . . 0.0 114.444 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -109.93 -22.85 11.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -164.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.26 31.5 61.3 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 119.033 0.833 . . . . 0.0 113.914 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -97.85 -7.4 30.48 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.135 1.374 . . . . 0.0 112.075 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.281 5.3 t30 58.84 30.87 20.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.995 2.518 . . . . 0.0 114.644 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.8 pt -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.888 1.675 . . . . 0.0 111.039 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.93 116.35 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 167.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -149.56 177.71 9.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.798 1.639 . . . . 0.0 111.009 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.73 16.48 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.34 -24.99 66.61 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.8 142.09 28.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.826 1.651 . . . . 0.0 113.053 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.83 68.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.873 1.269 . . . . 0.0 113.533 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.33 62.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.943 1.297 . . . . 0.0 113.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.34 -20.69 64.64 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.841 -1.162 . . . . 0.0 113.217 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.97 -28.28 25.92 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.041 1.337 . . . . 0.0 113.894 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.8 p -105.76 -20.01 13.58 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.4 mt -63.73 140.87 58.91 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.709 1.204 . . . . 0.0 111.701 172.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -139.52 169.64 17.38 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.298 2.239 . . . . 0.0 109.345 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -119.21 127.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 124.177 0.991 . . . . 0.0 109.473 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -91.92 109.0 20.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.073 1.349 . . . . 0.0 109.957 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -110.11 99.7 8.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.271 1.828 . . . . 0.0 107.729 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.21 147.43 36.41 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.724 -0.61 . . . . 0.0 111.879 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.74 -42.21 15.44 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.115 0.966 . . . . 0.0 112.436 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -119.0 -7.32 10.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.26 20.4 mp0 60.57 42.07 14.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.712 2.405 . . . . 0.0 114.341 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -76.25 -25.34 54.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.572 1.549 . . . . 0.0 114.218 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.14 19.66 69.13 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 124.189 0.9 . . . . 0.0 113.834 -166.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.8 mt -129.35 112.01 23.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.84 1.656 . . . . 0.0 107.991 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -84.11 144.33 29.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.21 -0.931 . . . . 0.0 112.561 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -125.85 167.4 15.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.326 1.05 . . . . 0.0 111.945 165.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.4 60.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -91.15 -3.34 57.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.487 1.515 . . . . 0.0 113.333 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -93.1 7.75 42.92 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.385 1.474 . . . . 0.0 113.636 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 147.84 26.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.673 1.189 . . . . 0.0 112.01 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -122.87 147.63 46.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.908 2.083 . . . . 0.0 108.795 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.9 p -79.83 157.95 26.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.788 0.835 . . . . 0.0 111.565 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.75 -33.99 75.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.131 -0.981 . . . . 0.0 111.692 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -46.11 68.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.32 -27.69 64.57 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.828 1.194 . . . . 0.0 111.925 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.26 2.94 16.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.958 1.703 . . . . 0.0 113.585 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.77 79.81 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 119.724 1.147 . . . . 0.0 114.044 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.69 134.75 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 118.815 1.308 . . . . 0.0 110.198 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -94.57 -49.41 5.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.245 1.818 . . . . 0.0 111.277 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.2 p -161.55 168.14 24.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.68 1.192 . . . . 0.0 112.781 173.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.0 135.06 48.13 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.838 1.655 . . . . 0.0 110.299 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -89.45 130.22 35.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.408 1.083 . . . . 0.0 111.543 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.79 12.53 18.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -96.25 93.26 6.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 120.675 1.58 . . . . 0.0 112.498 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.06 144.33 29.22 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.421 1.889 . . . . 0.0 112.801 -173.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -131.05 143.18 50.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.488 1.515 . . . . 0.0 111.999 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.64 136.78 47.47 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.111 0.964 . . . . 0.0 112.093 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -134.07 -26.5 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 126.475 1.91 . . . . 0.0 114.112 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 42.57 45.94 4.09 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 127.322 2.249 . . . . 0.0 115.531 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -105.75 124.63 49.87 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.07 1.348 . . . . 0.0 111.548 -169.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -71.76 131.3 42.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 171.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.0 mt -116.31 -23.09 8.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.084 1.354 . . . . 0.0 113.242 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.99 179.52 38.18 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 125.034 1.302 . . . . 0.0 112.806 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -69.56 96.19 0.91 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.627 1.171 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.79 10.75 75.35 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 125.316 1.436 . . . . 0.0 116.079 -170.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -125.02 122.88 38.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 119.398 1.599 . . . . 0.0 112.248 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.2 m -145.59 137.48 25.37 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.664 1.186 . . . . 0.0 111.083 -168.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.8 tp -102.54 115.85 31.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.957 1.703 . . . . 0.0 110.735 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.12 3.57 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.048 0.939 . . . . 0.0 112.902 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -141.97 145.49 34.54 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.831 1.253 . . . . 0.0 111.325 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -139.17 133.12 30.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.042 1.337 . . . . 0.0 111.997 -162.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.25 -157.21 10.69 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 126.376 1.941 . . . . 0.0 111.837 161.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.5 m -134.7 170.18 16.21 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.254 1.022 . . . . 0.0 112.471 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -131.76 152.49 50.9 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.843 0.857 . . . . 0.0 110.701 160.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.0 m -104.82 138.99 40.25 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.448 1.099 . . . . 0.0 110.076 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -99.28 156.22 17.1 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 126.522 1.929 . . . . 0.0 110.764 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.3 p -60.69 -24.74 65.86 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.898 -1.127 . . . . 0.0 113.842 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -74.01 -1.56 20.46 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.851 1.66 . . . . 0.0 115.073 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.14 2.87 73.64 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 126.898 2.189 . . . . 0.0 115.918 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 170.85 8.35 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 119.314 1.557 . . . . 0.0 112.434 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.6 p -126.46 163.06 24.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.9 164.37 30.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.874 1.269 . . . . 0.0 110.809 160.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -87.52 152.41 22.23 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.285 1.034 . . . . 0.0 113.097 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.2 ptm -150.37 150.43 31.41 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.514 1.126 . . . . 0.0 112.055 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.73 177.62 48.08 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 117.013 1.565 . . . . 0.0 117.013 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -74.52 106.41 6.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 109.675 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.18 120.04 35.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.055 -165.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.8 tp -71.42 123.76 23.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.247 1.819 . . . . 0.0 111.01 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.446 -0.644 0 C-N-CA 126.81 2.044 . . . . 0.0 109.064 178.465 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.17 19.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -170.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.3 tp -88.29 114.07 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.833 1.253 . . . . 0.0 110.391 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 161.52 21.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.374 1.47 . . . . 0.0 114.103 -170.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.66 140.8 48.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.237 1.815 . . . . 0.0 111.522 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -84.56 106.31 16.03 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.241 1.016 . . . . 0.0 112.284 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.01 -17.73 36.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -166.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -113.78 -16.29 12.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.119 1.525 . . . . 0.0 115.119 172.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.5 25.94 24.38 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.342 -1.254 . . . . 0.0 114.528 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.21 10.25 30.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 120.038 1.919 . . . . 0.0 115.424 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 160.55 29.41 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 127.145 2.307 . . . . 0.0 112.691 -171.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.92 117.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -101.72 146.7 27.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 122.259 1.028 . . . . 0.0 113.509 -170.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 p -126.07 162.28 25.67 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 111.67 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.77 150.24 19.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.021 1.329 . . . . 0.0 111.123 -175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.406 0 C-N-CA 124.057 0.943 . . . . 0.0 111.901 173.244 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.474 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -154.23 173.65 15.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.911 1.684 . . . . 0.0 112.873 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.14 129.73 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 124.395 1.078 . . . . 0.0 110.384 172.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 156.93 31.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.459 1.104 . . . . 0.0 113.352 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -16.38 6.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.6 -33.02 72.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.663 1.585 . . . . 0.0 112.883 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -125.41 -177.01 3.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.537 1.935 . . . . 0.0 113.34 -170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.39 159.3 26.71 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 120.965 -1.084 . . . . 0.0 113.597 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.49 150.06 47.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.731 1.212 . . . . 0.0 112.674 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -79.75 133.99 36.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.287 1.035 . . . . 0.0 112.264 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.45 155.26 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.462 1.905 . . . . 0.0 111.929 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -151.58 127.46 10.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.185 1.394 . . . . 0.0 110.417 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -72.0 115.57 11.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.886 0.474 . . . . 0.0 110.308 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.45 -0.444 0 C-N-CA 123.696 0.798 . . . . 0.0 112.705 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 N--CA 1.443 -0.805 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.76 -10.73 2.36 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -135.69 160.56 38.15 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.16 0.984 . . . . 0.0 113.141 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.68 62.96 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 124.397 0.999 . . . . 0.0 113.886 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.65 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.157 1.783 . . . . 0.0 114.286 172.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -93.37 17.29 11.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.158 1.383 . . . . 0.0 113.336 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.85 151.98 26.33 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 128.087 2.555 . . . . 0.0 110.665 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -85.73 113.42 21.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.238 0.615 . . . . 0.0 109.821 162.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.34 -140.76 3.79 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 125.833 1.682 . . . . 0.0 112.288 -166.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -79.31 -14.94 58.68 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.402 1.481 . . . . 0.0 114.833 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.48 27.35 6.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.793 1.637 . . . . 0.0 114.156 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.449 -0.503 0 C-N-CA 125.425 1.49 . . . . 0.0 112.426 -170.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.26 90.38 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 120.804 -1.185 . . . . 0.0 112.645 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.85 96.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.424 -0.798 . . . . 0.0 112.919 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.96 -37.41 79.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.114 0.966 . . . . 0.0 111.605 172.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.01 67.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -69.99 -8.64 50.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.6 mt -88.13 2.41 52.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -75.08 119.01 18.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 120.474 -1.392 . . . . 0.0 111.019 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -90.39 -16.32 29.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.534 1.533 . . . . 0.0 113.845 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.45 -14.12 14.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -165.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.42 34.6 79.99 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 125.424 1.488 . . . . 0.0 114.774 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -103.21 -3.21 26.06 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.251 1.82 . . . . 0.0 112.462 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 60.51 27.86 17.52 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 127.389 2.276 . . . . 0.0 114.606 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.99 159.16 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.839 1.656 . . . . 0.0 111.934 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -106.55 116.16 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 124.42 1.088 . . . . 0.0 109.429 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.25 175.92 13.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.254 1.821 . . . . 0.0 111.996 -167.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.43 17.52 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.18 -12.13 59.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -79.97 138.26 37.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 119.924 1.238 . . . . 0.0 114.338 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.02 -28.65 69.2 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.14 52.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.5 -36.76 71.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -78.46 -15.1 59.0 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.559 1.072 . . . . 0.0 113.68 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -83.43 -21.26 33.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.416 1.486 . . . . 0.0 112.802 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.68 135.63 39.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.772 0.829 . . . . 0.0 110.818 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -137.86 166.27 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.087 1.755 . . . . 0.0 110.476 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.98 135.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.204 1.402 . . . . 0.0 109.762 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -102.49 125.85 49.34 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.986 1.314 . . . . 0.0 110.406 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -125.25 117.78 24.57 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 125.958 1.703 . . . . 0.0 109.819 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -111.04 105.55 14.34 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 123.659 0.783 . . . . 0.0 111.82 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 53.1 mt -77.58 -10.68 59.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.102 0.961 . . . . 0.0 113.081 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.56 -17.75 12.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 56.26 33.13 21.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.613 1.965 . . . . 0.0 116.195 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -80.1 1.55 27.51 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.822 -1.174 . . . . 0.0 113.465 171.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.85 7.08 58.3 Favored Glycine 0 N--CA 1.445 -0.73 0 O-C-N 120.583 -1.323 . . . . 0.0 115.223 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.74 134.91 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 126.715 2.006 . . . . 0.0 109.143 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.2 p -87.89 128.01 35.36 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 0.0 111.279 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.17 152.43 36.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.253 1.421 . . . . 0.0 110.273 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.41 -32.3 68.52 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -64.83 -22.98 67.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.17 5.83 28.38 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.516 1.526 . . . . 0.0 113.554 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -105.02 126.5 52.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.674 1.59 . . . . 0.0 111.76 -170.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -110.09 143.85 39.55 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.412 1.885 . . . . 0.0 110.285 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -73.93 164.61 26.4 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.679 0.792 . . . . 0.0 110.532 158.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.83 -33.23 75.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.279 -0.888 . . . . 0.0 111.33 169.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.15 -37.58 57.78 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.28 -17.72 61.86 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.7 -10.4 55.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.099 1.36 . . . . 0.0 113.389 167.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 33.41 80.17 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 125.339 1.447 . . . . 0.0 113.876 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.55 137.99 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 C-N-CA 124.318 1.047 . . . . 0.0 109.435 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.86 -43.65 3.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.343 1.457 . . . . 0.0 112.093 -173.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.9 m -153.96 151.69 29.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.885 1.274 . . . . 0.0 113.102 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.76 140.36 48.96 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.774 1.63 . . . . 0.0 110.345 168.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -92.72 134.56 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.896 0.879 . . . . 0.0 111.654 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.1 -5.49 52.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.011 1.324 . . . . 0.0 114.389 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.84 113.39 22.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.243 1.417 . . . . 0.0 111.243 174.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -130.11 168.13 17.26 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.966 1.306 . . . . 0.0 113.099 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -142.02 152.14 43.11 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.839 2.055 . . . . 0.0 111.074 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -80.12 132.4 35.93 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.088 0.955 . . . . 0.0 112.516 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.58 -25.68 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.102 1.361 . . . . 0.0 114.034 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 45.73 42.44 8.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 126.209 1.804 . . . . 0.0 115.463 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -83.43 121.49 27.25 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 126.797 2.039 . . . . 0.0 112.08 -172.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.63 137.2 56.55 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.205 -0.934 . . . . 0.0 111.839 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.4 mt -110.64 -8.76 14.57 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.697 1.599 . . . . 0.0 114.186 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 96.99 164.66 32.54 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 125.433 1.492 . . . . 0.0 113.605 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.68 30.77 9.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.026 1.731 . . . . 0.0 114.114 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.72 90.55 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -94.11 151.38 19.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.878 1.839 . . . . 0.0 112.105 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.4 m -141.93 137.33 31.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.28 1.032 . . . . 0.0 111.474 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 22.6 tp -91.33 113.77 26.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.426 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.24 -57.56 3.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -131.24 135.51 47.42 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.442 1.497 . . . . 0.0 111.454 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -122.18 144.9 48.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 112.009 -172.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.33 -162.87 9.42 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 127.826 2.631 . . . . 0.0 111.248 166.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.8 m -131.69 151.42 51.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.866 -1.373 . . . . 0.0 114.297 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -123.69 159.56 29.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.575 1.15 . . . . 0.0 111.63 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.6 m -118.31 134.77 54.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.982 1.713 . . . . 0.0 110.906 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -96.47 158.76 15.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.873 1.669 . . . . 0.0 111.839 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.7 p -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -77.62 3.75 13.04 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.62 0.79 87.84 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 125.341 1.448 . . . . 0.0 115.807 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.0 p -80.21 159.21 26.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 119.449 1.625 . . . . 0.0 112.611 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.1 p -127.71 147.12 50.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.042 1.337 . . . . 0.0 112.536 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.54 168.54 23.95 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.655 1.982 . . . . 0.0 109.857 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.06 154.19 24.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -171.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.2 ptm -139.6 156.39 46.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.497 1.919 . . . . 0.0 109.727 169.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.33 41.07 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 117.261 1.664 . . . . 0.0 117.261 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.79 107.81 19.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.063 2.145 . . . . 0.0 111.454 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.28 148.09 22.79 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 125.045 1.338 . . . . 0.0 113.962 -171.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.09 120.43 41.27 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.769 2.428 . . . . 0.0 107.509 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.445 -0.699 0 C-N-CA 123.441 0.697 . . . . 0.0 111.679 -171.157 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.92 165.23 34.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.38 1.872 . . . . 0.0 111.15 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tt -98.32 121.27 40.05 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 124.766 1.226 . . . . 0.0 109.122 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.15 146.67 41.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.36 1.464 . . . . 0.0 111.97 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.27 137.1 51.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.382 1.873 . . . . 0.0 110.353 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -77.51 103.46 7.45 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.178 1.391 . . . . 0.0 109.355 166.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -90.18 -34.88 15.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.082 -1.011 . . . . 0.0 113.251 -170.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -84.8 -19.04 33.16 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.217 1.372 . . . . 0.0 113.623 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.07 55.52 2.49 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 119.649 1.113 . . . . 0.0 114.206 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -140.33 10.8 2.33 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.01 147.53 11.67 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 126.378 1.942 . . . . 0.0 113.205 -172.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.96 130.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.373 -1.075 . . . . 0.0 109.216 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -127.5 145.78 50.73 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.8 p -119.73 158.66 26.04 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 124.873 1.269 . . . . 0.0 112.234 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.03 151.44 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 126.016 1.726 . . . . 0.0 111.217 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.442 0 C-N-CA 123.227 0.611 . . . . 0.0 110.19 169.777 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.663 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -147.25 172.36 13.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.285 2.234 . . . . 0.0 111.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.7 t -84.62 135.19 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 124.89 1.276 . . . . 0.0 111.716 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 145.34 17.7 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.722 1.609 . . . . 0.0 112.589 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.44 -16.13 63.87 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -80.49 -10.64 59.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.401 1.48 . . . . 0.0 114.093 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -116.08 178.26 4.38 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.292 2.637 . . . . 0.0 111.693 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.25 167.9 37.03 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 120.686 -1.259 . . . . 0.0 115.703 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.53 136.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.221 1.808 . . . . 0.0 111.325 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 tp -77.24 135.58 38.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 170.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.04 153.21 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 119.544 1.065 . . . . 0.0 113.378 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -136.92 158.66 43.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.401 1.881 . . . . 0.0 109.989 164.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.13 113.06 25.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.447 -0.575 0 C-N-CA 125.637 1.575 . . . . 0.0 114.816 -177.354 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 114' ' ' SER . 38.9 mm . . . . . 0 C--O 1.223 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.54 -22.56 8.07 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 125.795 1.638 . . . . 0.0 113.669 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -148.75 151.25 34.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.843 1.257 . . . . 0.0 111.501 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.23 -19.47 52.24 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 124.952 1.263 . . . . 0.0 114.639 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -17.18 33.41 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 170.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.63 -13.73 60.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 120.028 1.285 . . . . 0.0 113.952 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.76 146.0 24.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.85 1.66 . . . . 0.0 109.51 171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -76.75 102.87 6.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.499 -0.751 . . . . 0.0 110.299 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.55 174.41 41.31 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 125.899 1.714 . . . . 0.0 111.045 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.47 -10.99 60.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -164.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -91.81 6.38 46.27 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.065 1.346 . . . . 0.0 113.764 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.45 -0.461 0 O-C-N 120.772 -1.205 . . . . 0.0 114.231 177.257 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.06 71.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.895 -1.128 . . . . 0.0 113.616 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.91 52.35 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.498 1.119 . . . . 0.0 113.585 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.72 -43.31 31.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.04 0.936 . . . . 0.0 111.656 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.45 73.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -70.49 -5.69 30.66 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.97 -18.95 57.9 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.157 0.983 . . . . 0.0 113.46 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -67.82 124.69 24.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.092 0.957 . . . . 0.0 111.219 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.4 p -91.06 -35.59 14.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -110.56 -6.98 14.76 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.655 1.982 . . . . 0.0 114.709 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.95 22.09 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.456 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -101.37 1.91 39.01 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.814 1.646 . . . . 0.0 113.309 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.256 0.9 OUTLIER 67.98 21.63 8.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.663 2.385 . . . . 0.0 115.56 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -133.86 148.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 125.344 1.457 . . . . 0.0 111.912 168.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mm -100.0 103.07 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -135.51 172.68 12.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -166.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.96 -17.51 6.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.137 1.902 . . . . 0.0 116.137 -169.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.31 -26.73 32.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 120.049 1.295 . . . . 0.0 114.323 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -68.2 137.49 54.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 120.417 -1.427 . . . . 0.0 112.273 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.41 70.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.147 -0.971 . . . . 0.0 113.287 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -25.06 60.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 124.665 1.186 . . . . 0.0 114.107 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.66 -25.94 68.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -81.14 -29.52 34.73 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -92.76 -28.98 16.26 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 125.088 1.355 . . . . 0.0 114.241 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.9 148.48 25.45 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.038 1.335 . . . . 0.0 112.206 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -133.96 165.05 25.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.099 1.36 . . . . 0.0 110.836 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.7 t -114.26 131.08 67.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 C-N-CA 125.602 1.561 . . . . 0.0 108.935 167.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -117.59 135.9 53.65 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.162 1.785 . . . . 0.0 112.396 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -140.1 147.3 40.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.605 1.962 . . . . 0.0 107.575 165.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -138.85 114.61 9.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.194 0.998 . . . . 0.0 110.724 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.4 -22.81 58.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.272 0.629 . . . . 0.0 112.156 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -98.64 -11.71 21.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.37 1.468 . . . . 0.0 113.177 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 51.52 42.55 29.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.236 1.415 . . . . 0.0 113.893 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -110.3 17.92 20.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.234 1.414 . . . . 0.0 113.701 -169.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 5.65 80.4 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 168.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.5 mt -133.11 143.57 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 C-N-CA 126.961 2.105 . . . . 0.0 108.884 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 55' ' ' ILE . 77.9 p -97.34 167.97 10.69 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.428 1.491 . . . . 0.0 114.309 -178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -142.15 164.04 31.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.379 2.272 . . . . 0.0 109.463 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.83 89.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -67.58 -23.93 65.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -81.85 -11.06 59.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.311 1.444 . . . . 0.0 112.817 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.48 136.9 52.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.704 2.002 . . . . 0.0 111.849 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -135.9 149.35 48.94 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.607 1.563 . . . . 0.0 110.765 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.6 p -84.35 154.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.375 1.07 . . . . 0.0 111.711 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.04 -31.84 71.47 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.991 0.916 . . . . 0.0 111.366 170.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.05 -49.43 74.61 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.26 1.424 . . . . 0.0 112.654 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -24.8 63.72 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.073 -1.017 . . . . 0.0 112.867 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.84 -2.33 32.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 168.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.72 22.67 76.87 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-N 119.644 1.111 . . . . 0.0 114.278 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.2 mt -83.0 146.85 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 109.351 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -113.59 -41.81 3.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.567 1.547 . . . . 0.0 112.812 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -147.89 146.24 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.7 mt -110.46 122.21 47.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.205 2.202 . . . . 0.0 107.94 162.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -93.47 124.62 37.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 118.797 0.726 . . . . 0.0 111.665 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.7 -8.97 57.99 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.11 117.3 13.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 120.158 1.344 . . . . 0.0 112.644 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -109.63 150.53 28.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 114.56 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -111.32 144.41 40.56 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 128.109 2.564 . . . . 0.0 109.723 164.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -82.44 136.31 34.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.855 0.862 . . . . 0.0 112.282 172.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.6 -26.3 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 36.94 57.07 1.21 Allowed 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.329 2.252 . . . . 0.0 115.714 168.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -120.18 146.87 45.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 126.021 1.728 . . . . 0.0 114.387 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -84.89 120.14 26.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.497 1.519 . . . . 0.0 110.839 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.5 mt -88.8 -7.05 56.89 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.011 1.324 . . . . 0.0 113.724 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.04 144.07 4.45 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 126.359 1.933 . . . . 0.0 111.554 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 46.2 35.13 2.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 115.689 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 12.97 72.44 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.55 123.67 33.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.968 1.384 . . . . 0.0 109.73 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 83.1 m -123.45 122.57 38.58 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -163.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 tp -92.35 117.58 30.05 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.435 1.894 . . . . 0.0 109.632 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.37 -53.48 4.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.147 0.979 . . . . 0.0 112.968 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -130.52 153.74 48.52 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 124.704 1.202 . . . . 0.0 110.748 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -135.87 140.99 44.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.358 1.463 . . . . 0.0 111.645 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.6 -163.14 9.56 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 127.608 2.528 . . . . 0.0 111.303 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -138.52 158.33 44.46 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -121.91 151.96 40.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 126.42 1.888 . . . . 0.0 110.607 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 17.1 m -116.85 136.79 52.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.828 1.651 . . . . 0.0 110.59 -172.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.34 159.14 15.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.259 1.823 . . . . 0.0 113.013 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 75.8 p -66.58 -18.04 65.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -78.0 -8.28 57.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.001 1.32 . . . . 0.0 114.527 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 96.13 0.88 61.43 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 125.971 1.748 . . . . 0.0 115.92 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -83.86 159.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 119.704 1.752 . . . . 0.0 112.926 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.0 p -130.11 153.09 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.265 1.426 . . . . 0.0 112.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.24 162.91 39.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.826 1.25 . . . . 0.0 112.524 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -78.56 152.23 32.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.767 1.627 . . . . 0.0 114.946 -169.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -147.9 160.33 42.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.031 1.732 . . . . 0.0 111.444 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.05 176.75 48.15 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 117.582 1.793 . . . . 0.0 117.582 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -90.11 107.67 19.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.246 2.218 . . . . 0.0 111.404 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -123.7 116.55 23.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.76 1.624 . . . . 0.0 111.124 -162.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 66.0 tp -88.04 116.36 26.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.553 1.941 . . . . 0.0 109.688 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.448 -0.567 0 C-N-CA 124.307 1.043 . . . . 0.0 111.68 178.172 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -128.71 169.16 14.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.777 2.431 . . . . 0.0 111.761 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.15 122.28 43.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.38 1.072 . . . . 0.0 111.445 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.48 152.42 40.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.746 1.618 . . . . 0.0 114.162 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -125.78 144.13 50.76 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.205 2.202 . . . . 0.0 111.622 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -87.72 94.81 9.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.48 -14.06 36.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -164.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -102.7 -7.81 21.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 119.979 1.263 . . . . 0.0 113.465 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.52 28.6 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 168.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -122.19 19.57 10.68 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 120.212 2.006 . . . . 0.0 114.037 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.86 151.62 26.97 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.935 2.207 . . . . 0.0 113.639 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.45 130.82 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.395 1.078 . . . . 0.0 109.914 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -125.65 149.12 48.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.819 1.648 . . . . 0.0 112.461 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.8 p -127.82 153.54 46.47 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.326 1.45 . . . . 0.0 112.373 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.86 165.94 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 127.169 2.188 . . . . 0.0 110.697 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.512 0 O-C-N 121.55 -0.719 . . . . 0.0 110.781 168.087 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.185 0 N-CA-C 114.952 0.741 . . . . 0.0 114.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -147.34 171.58 15.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.279 1.831 . . . . 0.0 112.306 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.54 135.51 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.067 1.347 . . . . 0.0 110.677 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -55.18 151.61 9.18 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.1 1.36 . . . . 0.0 113.319 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.52 -11.14 59.47 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.98 -5.28 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.617 1.167 . . . . 0.0 113.23 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -122.87 179.78 4.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 129.126 2.97 . . . . 0.0 112.215 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.74 -174.65 34.71 Favored Glycine 0 CA--C 1.524 0.623 0 O-C-N 120.349 -1.469 . . . . 0.0 115.898 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.8 mt -117.62 147.88 42.46 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 126.19 1.796 . . . . 0.0 112.372 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -83.87 129.52 34.93 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.262 1.025 . . . . 0.0 110.677 170.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.9 161.74 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.754 1.622 . . . . 0.0 112.525 -172.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -151.33 128.69 11.3 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 125.123 1.369 . . . . 0.0 111.758 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.24 113.46 15.01 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.757 -0.589 . . . . 0.0 110.091 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.444 -0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.088 -178.586 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.32 -24.09 0.11 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -86.94 143.85 27.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.057 1.343 . . . . 0.0 110.402 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.71 -26.26 64.68 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 120.499 -1.375 . . . . 0.0 114.797 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.17 -9.43 58.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -86.26 6.35 30.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.798 1.239 . . . . 0.0 113.891 -171.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.42 157.29 17.13 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.877 2.071 . . . . 0.0 110.544 164.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -84.52 136.49 33.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 162.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.12 40.69 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.089 0.796 . . . . 0.0 115.089 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.96 -22.7 67.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -91.06 -6.1 54.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.459 1.104 . . . . 0.0 113.301 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.444 -0.763 0 O-C-N 120.745 -1.222 . . . . 0.0 110.685 175.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -34.88 76.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.44 73.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.626 -0.671 . . . . 0.0 111.733 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.38 -33.45 75.88 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.335 1.054 . . . . 0.0 112.93 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.82 -26.95 68.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.72 -17.9 57.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.208 -0.933 . . . . 0.0 112.993 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.22 -13.0 23.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.097 1.759 . . . . 0.0 113.838 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -66.9 123.84 21.31 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.952 0.901 . . . . 0.0 110.434 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.9 p -91.54 -29.43 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -110.53 -6.28 14.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.266 1.426 . . . . 0.0 114.125 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.21 20.13 73.14 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 118.434 -1.203 . . . . 0.0 115.267 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -76.74 -2.72 34.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 119.293 1.547 . . . . 0.0 113.125 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 t30 67.85 23.39 8.44 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.451 1.9 . . . . 0.0 114.199 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.77 149.32 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.172 1.389 . . . . 0.0 111.387 166.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mm -94.37 120.74 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 164.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -146.88 170.64 16.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.271 1.428 . . . . 0.0 110.895 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.9 -17.56 17.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.28 -14.03 57.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -79.37 129.41 34.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.85 -1.156 . . . . 0.0 112.049 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.41 68.32 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.765 -1.21 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.62 -19.4 65.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -56.12 -35.43 67.08 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.741 -1.224 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.21 -20.04 63.97 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t -74.29 -24.99 59.33 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.131 0.973 . . . . 0.0 112.41 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -72.57 140.94 48.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.215 1.006 . . . . 0.0 113.42 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.29 172.33 12.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.321 2.648 . . . . 0.0 109.322 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.65 144.58 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.553 1.541 . . . . 0.0 109.857 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -121.9 125.65 46.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.022 1.329 . . . . 0.0 111.658 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -120.12 100.3 7.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.394 1.478 . . . . 0.0 108.949 172.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 119.63 11.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.723 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.22 -15.91 39.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.254 1.022 . . . . 0.0 113.575 -166.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.91 -7.99 11.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 171.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 59.56 65.2 1.19 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.565 2.346 . . . . 0.0 114.45 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -116.62 -12.78 10.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 168.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.87 11.02 82.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 119.12 0.873 . . . . 0.0 114.55 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.27 125.27 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.259 1.423 . . . . 0.0 107.529 168.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.11 145.98 27.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 119.002 0.819 . . . . 0.0 113.012 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -135.2 155.25 50.99 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 110.479 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.59 72.75 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -167.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.91 -10.13 59.2 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.36 -8.68 58.92 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 112.668 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.3 mt -89.45 152.62 21.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.183 1.393 . . . . 0.0 112.473 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.29 148.41 44.64 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.683 1.993 . . . . 0.0 110.366 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.4 p -71.12 165.2 24.05 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.4 1.08 . . . . 0.0 111.924 164.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.1 -31.17 71.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.58 0.752 . . . . 0.0 111.527 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.77 -42.88 69.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.478 1.111 . . . . 0.0 113.411 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.82 -13.83 61.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -100.29 -1.65 35.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.755 2.022 . . . . 0.0 112.642 170.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.95 34.53 89.16 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 124.915 1.245 . . . . 0.0 114.68 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.12 129.29 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.892 1.677 . . . . 0.0 108.52 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -101.51 -59.67 1.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.161 1.384 . . . . 0.0 111.4 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 p -150.69 157.91 43.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.349 1.059 . . . . 0.0 113.03 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.32 130.02 56.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.751 1.62 . . . . 0.0 109.428 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.65 121.94 32.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.367 1.067 . . . . 0.0 111.167 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.6 -4.57 59.2 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.22 102.66 11.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 119.436 1.016 . . . . 0.0 110.248 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -98.41 157.78 15.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.248 1.419 . . . . 0.0 112.622 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -123.63 142.67 50.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 127.374 2.269 . . . . 0.0 109.129 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.86 145.51 34.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.43 0.559 . . . . 0.0 110.923 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.94 -26.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 C-N-CA 125.093 1.357 . . . . 0.0 113.46 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 32.02 65.15 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 128.006 2.522 . . . . 0.0 114.577 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.48 148.39 42.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.948 1.299 . . . . 0.0 114.178 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -70.86 127.65 33.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 166.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.5 mt -81.91 -41.07 21.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.875 0.87 . . . . 0.0 110.815 171.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 162.04 157.58 9.02 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 126.108 1.813 . . . . 0.0 111.481 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 50.86 32.21 7.01 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.952 1.701 . . . . 0.0 114.732 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.84 2.02 89.77 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 124.96 1.267 . . . . 0.0 115.888 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -84.1 133.39 34.63 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 119.418 1.609 . . . . 0.0 109.433 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 91.2 m -142.43 125.76 16.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.536 -0.728 . . . . 0.0 111.975 -162.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.56 122.95 44.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 109.321 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.88 -47.62 7.49 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 121.432 -0.793 . . . . 0.0 112.817 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -131.52 152.11 51.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.69 1.196 . . . . 0.0 111.55 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -134.7 141.74 46.61 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.742 1.617 . . . . 0.0 110.899 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.34 -157.48 7.17 Favored Glycine 0 C--N 1.341 0.809 0 C-N-CA 128.446 2.927 . . . . 0.0 110.583 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 80.8 p -146.98 166.46 26.74 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -123.75 147.83 47.16 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.0 1.32 . . . . 0.0 110.023 165.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.2 m -95.85 138.43 33.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.467 1.507 . . . . 0.0 110.347 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -101.88 158.54 16.06 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 126.672 1.989 . . . . 0.0 111.669 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.3 p -63.53 -24.76 67.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.496 1.118 . . . . 0.0 113.599 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -78.77 -9.34 59.4 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 99.36 -1.79 57.41 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 126.011 1.767 . . . . 0.0 116.487 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -79.25 167.47 20.9 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 119.559 1.679 . . . . 0.0 112.414 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.8 p -120.54 152.78 37.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.439 1.096 . . . . 0.0 111.71 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.48 154.76 45.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.988 1.315 . . . . 0.0 112.386 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -71.85 154.1 41.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 123.171 1.462 . . . . 0.0 113.918 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -145.81 166.05 27.05 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.435 1.894 . . . . 0.0 110.047 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.56 -178.7 45.59 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.421 1.728 . . . . 0.0 117.421 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -102.78 106.17 16.72 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 128.006 2.523 . . . . 0.0 108.826 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.0 tp -129.13 116.48 19.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.912 1.285 . . . . 0.0 112.852 -158.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -82.32 119.19 23.81 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.45 1.1 . . . . 0.0 109.88 169.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 111.487 177.467 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.9 t0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.81 163.13 39.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.374 1.07 . . . . 0.0 113.628 -161.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.5 118.14 23.57 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 121.595 -0.691 . . . . 0.0 110.545 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.11 152.02 36.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.546 1.938 . . . . 0.0 113.859 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -123.41 140.27 53.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.261 2.224 . . . . 0.0 110.628 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -82.33 101.86 10.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.391 1.476 . . . . 0.0 110.428 169.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.53 -12.47 31.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -167.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -105.95 -14.75 15.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 120.304 1.411 . . . . 0.0 114.132 167.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.79 36.56 7.77 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 119.735 1.152 . . . . 0.0 115.614 170.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -127.33 16.04 7.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 119.275 1.537 . . . . 0.0 114.157 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.49 149.92 24.02 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 126.835 2.16 . . . . 0.0 113.603 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.31 132.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 124.326 1.051 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.47 166.4 25.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.1 p -138.2 162.28 34.67 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.723 1.209 . . . . 0.0 113.987 -165.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.89 163.66 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 127.22 2.208 . . . . 0.0 111.115 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 125.35 1.46 . . . . 0.0 111.791 167.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 114.003 0.361 . . . . 0.0 114.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -129.98 170.42 13.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.883 1.673 . . . . 0.0 112.9 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.63 136.27 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 120.521 -1.362 . . . . 0.0 110.729 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 t -55.94 147.19 20.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.95 -7.56 36.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -85.88 -5.54 59.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.731 1.151 . . . . 0.0 113.559 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -121.16 -173.09 2.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.174 3.39 . . . . 0.0 111.767 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.64 175.63 45.03 Favored Glycine 0 C--N 1.334 0.458 0 O-C-N 120.51 -1.369 . . . . 0.0 116.366 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -106.83 142.61 36.19 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.188 1.395 . . . . 0.0 112.786 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 tp -78.89 130.75 35.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.293 1.037 . . . . 0.0 111.092 171.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -146.92 160.19 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 124.905 1.282 . . . . 0.0 113.053 -166.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -142.77 134.23 26.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.673 1.989 . . . . 0.0 110.18 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.74 125.76 29.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 118.551 0.614 . . . . 0.0 111.063 168.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.514 -0.411 0 C-N-CA 125.857 1.663 . . . . 0.0 114.707 -175.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.72 1.29 0.58 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -128.45 148.68 50.74 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 110.6 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -30.91 78.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 -170.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.63 -7.29 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.49 -10.04 59.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 113.117 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.21 149.7 22.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 126.658 1.983 . . . . 0.0 110.622 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -70.6 146.61 49.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.51 -0.744 . . . . 0.0 110.35 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.25 -172.53 40.87 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 121.598 -0.689 . . . . 0.0 112.822 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.59 -32.9 67.63 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -83.07 1.65 39.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.45 -0.435 0 CA-C-N 119.538 1.063 . . . . 0.0 111.19 178.37 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -33.27 74.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.235 -0.916 . . . . 0.0 112.881 172.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.61 92.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 121.3 -0.875 . . . . 0.0 112.009 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.89 -38.07 89.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 123.932 0.893 . . . . 0.0 112.836 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.35 67.72 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.73 -12.34 60.97 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.19 0.996 . . . . 0.0 113.577 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.03 1.81 57.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.238 1.415 . . . . 0.0 113.698 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -74.11 117.02 15.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 120.803 -1.185 . . . . 0.0 109.851 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -75.63 -37.69 59.51 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.245 -0.909 . . . . 0.0 112.579 -172.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.47 -12.56 14.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.94 69.03 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 119.801 1.182 . . . . 0.0 115.091 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -69.5 -3.14 13.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.515 1.658 . . . . 0.0 113.698 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 72.77 21.08 3.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.668 1.987 . . . . 0.0 114.244 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.0 pt -132.23 149.51 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.919 1.287 . . . . 0.0 111.729 164.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -93.96 115.55 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 124.458 1.103 . . . . 0.0 108.1 168.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.42 172.52 13.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 125.1 1.36 . . . . 0.0 111.555 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -23.7 51.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 -12.12 60.7 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -80.42 144.41 32.65 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 113.447 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.11 79.94 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -173.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.55 -16.41 60.82 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -60.52 -35.16 75.32 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.463 1.483 . . . . 0.0 114.37 -164.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -71.19 -18.85 62.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 p -79.62 -18.31 51.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.72 -1.238 . . . . 0.0 114.321 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.06 141.75 52.78 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.311 -0.868 . . . . 0.0 112.353 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -139.3 167.37 22.22 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.562 1.945 . . . . 0.0 110.362 168.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -129.24 134.28 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 109.189 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -109.95 123.4 49.56 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.187 1.395 . . . . 0.0 111.493 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -127.4 99.3 5.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.391 1.876 . . . . 0.0 110.764 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.48 135.1 33.9 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.958 1.303 . . . . 0.0 113.93 -168.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.0 mt -90.36 -32.63 16.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -116.01 -4.13 12.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 59.14 38.86 23.57 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.414 1.886 . . . . 0.0 114.614 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -91.04 -6.49 53.79 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 120.331 -1.481 . . . . 0.0 114.383 -176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 90.16 6.53 68.9 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 124.993 1.282 . . . . 0.0 115.783 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.59 146.57 32.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 C-N-CA 126.715 2.006 . . . . 0.0 109.188 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.1 p -92.93 154.84 17.95 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -121.88 159.63 26.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.148 1.779 . . . . 0.0 110.672 166.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.99 -21.17 64.62 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -73.48 -32.62 64.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.626 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -81.36 -8.97 59.82 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.953 1.701 . . . . 0.0 113.333 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.94 126.46 50.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.864 1.266 . . . . 0.0 111.5 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -125.39 149.74 47.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.443 1.897 . . . . 0.0 111.301 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.0 p -86.7 160.76 18.74 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.04 1.336 . . . . 0.0 111.815 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.31 -38.77 81.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.188 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.56 -36.71 84.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 174.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -64.75 -27.48 68.93 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.405 -1.434 . . . . 0.0 111.941 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 74.4 mt -92.97 1.97 57.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.246 1.818 . . . . 0.0 113.3 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.19 15.96 66.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.363 1.459 . . . . 0.0 115.62 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 60.3 mt -78.96 129.13 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 125.806 1.642 . . . . 0.0 109.865 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -100.43 -36.1 9.33 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.526 1.53 . . . . 0.0 112.367 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -160.45 160.83 32.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.907 -1.121 . . . . 0.0 113.456 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.77 133.65 53.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.362 1.865 . . . . 0.0 109.662 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -87.88 136.66 32.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.686 1.195 . . . . 0.0 111.975 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.81 -0.97 38.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.122 1.369 . . . . 0.0 114.016 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.93 75.04 7.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.454 1.101 . . . . 0.0 110.711 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -95.71 165.08 12.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.602 1.161 . . . . 0.0 112.894 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.41 142.39 50.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.489 1.916 . . . . 0.0 110.432 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.05 129.44 36.08 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.986 0.812 . . . . 0.0 109.578 168.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.52 -25.92 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 117.544 -1.217 . . . . 0.0 113.352 -171.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 45.53 45.9 10.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 113.15 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.46 130.81 35.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.576 1.95 . . . . 0.0 111.392 -161.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -78.44 131.54 36.95 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 124.34 1.056 . . . . 0.0 110.128 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.98 5.98 19.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.245 1.418 . . . . 0.0 112.944 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 155.17 31.53 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.4 1.476 . . . . 0.0 114.152 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 53.09 34.06 16.4 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.232 1.813 . . . . 0.0 113.808 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.76 9.23 85.79 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.4 1.476 . . . . 0.0 115.579 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -88.41 136.11 33.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 119.429 1.614 . . . . 0.0 110.528 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.24 129.85 25.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.928 0.491 . . . . 0.0 111.843 -171.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.25 114.8 28.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.297 1.439 . . . . 0.0 110.155 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.85 -60.8 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.044 0.938 . . . . 0.0 112.524 -172.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.005 1.322 . . . . 0.0 112.753 174.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -134.66 138.78 44.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.136 1.774 . . . . 0.0 111.844 -160.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -147.82 -152.99 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.992 2.234 . . . . 0.0 111.507 171.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -141.95 166.53 24.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.127 1.371 . . . . 0.0 113.582 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -123.06 155.73 36.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.084 1.354 . . . . 0.0 110.543 164.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 79.2 m -112.14 140.37 46.89 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.172 1.789 . . . . 0.0 110.883 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -101.56 160.75 14.18 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 125.973 1.709 . . . . 0.0 113.644 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -27.69 66.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -78.06 4.4 12.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.45 0.29 89.35 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.457 1.503 . . . . 0.0 116.048 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.2 p -77.43 158.26 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 119.303 1.552 . . . . 0.0 112.853 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 28.1 p -123.79 155.45 37.93 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.07 166.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.85 161.15 40.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.939 1.296 . . . . 0.0 111.12 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -79.1 153.01 30.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.504 1.122 . . . . 0.0 113.875 -167.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.5 ptm -149.96 158.88 44.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.738 1.615 . . . . 0.0 110.923 172.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.17 175.02 44.1 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 120.891 -1.131 . . . . 0.0 114.994 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.21 109.25 16.33 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.23 1.412 . . . . 0.0 109.131 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.39 130.75 56.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.994 1.718 . . . . 0.0 111.926 -165.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.0 tp -95.91 120.55 36.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.874 1.27 . . . . 0.0 109.987 166.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 123.412 0.685 . . . . 0.0 109.493 170.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.94 166.12 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.029 0.932 . . . . 0.0 113.29 -162.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.46 131.81 46.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.876 1.271 . . . . 0.0 109.868 163.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.53 49.43 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.934 1.294 . . . . 0.0 112.726 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.35 137.32 53.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.241 2.216 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -81.33 103.07 10.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.205 1.802 . . . . 0.0 111.035 171.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.45 -14.42 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -110.97 -8.74 14.46 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.74 24.46 25.51 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 165.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -119.36 13.75 12.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.926 1.29 . . . . 0.0 113.96 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.28 150.41 19.61 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 126.011 1.767 . . . . 0.0 113.249 -174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -71.75 126.49 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 109.154 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -121.02 152.04 39.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.808 1.243 . . . . 0.0 114.306 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 p -138.86 164.57 29.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.106 1.763 . . . . 0.0 112.794 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.03 167.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 127.545 2.338 . . . . 0.0 111.874 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.64 0 O-C-N 121.604 -0.685 . . . . 0.0 110.471 153.677 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -153.71 172.08 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.63 1.172 . . . . 0.0 111.893 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.37 150.52 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 t -62.65 155.5 26.04 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.182 0.993 . . . . 0.0 113.208 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -18.33 63.0 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -87.28 -9.84 53.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.438 1.095 . . . . 0.0 113.919 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -115.88 -179.4 3.65 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 127.287 2.235 . . . . 0.0 112.23 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.71 161.44 32.28 Favored Glycine 0 N--CA 1.449 -0.472 0 O-C-N 120.347 -1.47 . . . . 0.0 116.014 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -95.18 143.82 26.29 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.283 1.433 . . . . 0.0 112.275 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.7 tp -82.72 125.33 31.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.766 0.826 . . . . 0.0 110.664 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.93 163.61 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.643 1.177 . . . . 0.0 113.444 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -147.12 138.0 23.74 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -80.61 128.6 33.8 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.448 -0.563 0 C-N-CA 126.284 1.834 . . . . 0.0 114.684 -177.159 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.599 ' N ' ' HG ' ' A' ' 114' ' ' SER . 46.1 mm . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 121.272 0.558 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -136.2 -25.85 1.18 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -168.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -95.88 146.32 24.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 0.0 111.821 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.0 59.81 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 -6.18 58.51 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 119.391 1.595 . . . . 0.0 114.358 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.73 -3.4 58.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.59 143.82 30.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.129 1.771 . . . . 0.0 110.77 170.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.12 106.13 9.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.009 -1.057 . . . . 0.0 111.862 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.52 -161.26 25.14 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 124.793 1.187 . . . . 0.0 112.368 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.79 8.39 1.98 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -123.13 -8.69 8.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.831 1.652 . . . . 0.0 115.076 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -171.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 118.511 -0.756 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.88 81.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.786 1.176 . . . . 0.0 111.755 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -32.55 73.92 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.12 -41.21 64.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.261 1.025 . . . . 0.0 112.18 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.95 66.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.47 -34.8 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 118.515 0.598 . . . . 0.0 112.169 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -83.12 0.58 44.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 125.123 1.369 . . . . 0.0 114.323 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -79.2 103.44 9.14 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.194 0.997 . . . . 0.0 110.845 173.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -76.52 -25.08 53.77 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.246 1.419 . . . . 0.0 114.113 -166.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -111.25 -13.86 13.91 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 126.42 1.888 . . . . 0.0 114.692 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.28 60.11 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 120.277 1.399 . . . . 0.0 114.668 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -78.51 0.11 27.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 118.97 1.385 . . . . 0.0 113.533 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.263 7.0 t30 73.2 22.16 2.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.863 2.465 . . . . 0.0 114.361 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.0 pt -138.03 155.56 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.334 1.453 . . . . 0.0 111.761 168.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.1 mm -102.22 120.26 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 168.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.36 173.11 13.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.93 1.692 . . . . 0.0 112.15 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.86 60.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.5 -17.61 60.73 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 171.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -80.93 139.51 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.428 1.491 . . . . 0.0 111.953 166.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.84 73.06 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.54 -21.97 63.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.05 -29.33 65.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.899 -1.125 . . . . 0.0 113.269 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.69 -24.13 36.41 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -100.29 -25.53 14.21 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 120.346 1.43 . . . . 0.0 114.266 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.35 147.15 51.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.148 1.379 . . . . 0.0 112.342 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -138.03 158.38 44.43 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.143 1.377 . . . . 0.0 111.967 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.75 132.64 59.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.943 1.297 . . . . 0.0 108.742 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -103.45 117.51 34.62 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 124.681 1.192 . . . . 0.0 110.567 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -115.56 101.64 9.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.747 1.619 . . . . 0.0 110.009 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -94.66 82.33 3.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.525 -172.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -66.36 -18.44 65.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -3.39 47.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.075 0.852 . . . . 0.0 113.113 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 59.07 52.66 6.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.551 1.94 . . . . 0.0 113.994 160.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -120.58 -15.4 8.48 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.99 13.48 83.63 Favored Glycine 0 C--N 1.34 0.751 0 O-C-N 121.003 -1.061 . . . . 0.0 114.545 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.99 126.3 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.608 1.563 . . . . 0.0 109.386 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 55' ' ' ILE . 46.2 t -76.94 139.53 40.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.601 0.76 . . . . 0.0 113.01 -172.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -143.41 149.54 37.79 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.418 1.887 . . . . 0.0 109.927 168.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.6 72.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -67.59 -10.04 48.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 114.076 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -100.01 -2.86 33.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.475 1.51 . . . . 0.0 113.95 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.4 mt -98.11 127.69 44.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.045 1.338 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -125.31 148.23 48.8 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.22 1.808 . . . . 0.0 112.13 -169.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.4 p -75.66 163.03 27.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.301 1.04 . . . . 0.0 112.379 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.54 -40.47 76.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.212 -0.93 . . . . 0.0 111.604 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.16 -27.69 59.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.61 -23.55 62.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 120.429 1.468 . . . . 0.0 113.086 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.03 -1.28 57.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.145 1.778 . . . . 0.0 112.518 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.76 27.28 73.64 Favored Glycine 0 CA--C 1.527 0.805 0 O-C-N 121.153 -0.967 . . . . 0.0 113.336 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.9 mt -80.26 128.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 119.097 1.449 . . . . 0.0 108.697 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.45 -39.55 8.3 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.974 0.91 . . . . 0.0 111.762 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.4 p -158.28 159.14 35.63 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.71 138.57 38.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.242 1.417 . . . . 0.0 110.583 168.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -88.22 137.04 32.68 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.805 0.842 . . . . 0.0 111.642 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.57 12.86 30.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.672 1.189 . . . . 0.0 113.195 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.32 137.51 43.0 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.795 2.038 . . . . 0.0 113.086 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -153.76 167.46 29.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.196 1.798 . . . . 0.0 113.095 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -132.23 151.81 51.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.377 2.271 . . . . 0.0 111.577 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.39 133.2 41.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.208 1.003 . . . . 0.0 112.212 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -133.8 -32.47 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.8 m120 47.78 71.64 0.32 Allowed 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.501 1.92 . . . . 0.0 114.498 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -126.31 119.21 26.77 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.346 1.458 . . . . 0.0 111.725 -175.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.25 142.22 43.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 121.139 -0.975 . . . . 0.0 110.905 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.84 15.4 16.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 126.582 1.953 . . . . 0.0 113.256 -171.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 69.92 178.89 23.73 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 120.75 -1.219 . . . . 0.0 113.358 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 53.57 20.44 2.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.709 2.003 . . . . 0.0 115.186 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.38 1.68 88.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.075 1.322 . . . . 0.0 115.869 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -91.81 135.19 34.1 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.602 1.701 . . . . 0.0 111.649 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 94.3 m -138.5 137.35 37.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.056 -1.028 . . . . 0.0 111.7 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.0 tt -107.66 120.57 42.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.497 1.919 . . . . 0.0 110.28 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.62 -50.26 6.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.62 147.33 48.59 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.899 1.279 . . . . 0.0 111.125 -171.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -133.38 136.14 45.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.725 1.21 . . . . 0.0 111.977 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.26 -154.54 7.27 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 127.956 2.693 . . . . 0.0 110.425 172.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -134.04 167.88 19.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.794 1.237 . . . . 0.0 113.914 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -132.67 156.64 46.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 110.693 158.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 91.5 m -101.62 132.59 47.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.157 1.383 . . . . 0.0 111.024 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -96.97 147.31 24.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.495 1.918 . . . . 0.0 110.548 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.2 p -61.25 -23.98 66.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -72.33 -1.37 15.17 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 97.53 -7.25 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.223 1.868 . . . . 0.0 115.685 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 37.0 p -93.45 176.18 6.48 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.358 1.079 . . . . 0.0 112.657 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -129.38 154.03 47.31 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -138.13 157.82 45.55 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.838 1.255 . . . . 0.0 112.195 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -75.9 144.48 41.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.05 0.94 . . . . 0.0 112.644 -172.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.0 ptm -143.22 161.65 37.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.059 1.344 . . . . 0.0 110.975 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.96 172.99 44.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.11 114.73 23.98 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 127.669 2.388 . . . . 0.0 111.6 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.16 145.01 46.35 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 126.098 1.759 . . . . 0.0 111.494 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 64.0 tp -109.9 124.99 52.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.821 1.648 . . . . 0.0 108.157 163.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.517 -0.303 0 C-N-CA 125.182 1.393 . . . . 0.0 111.607 -175.611 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.86 15.42 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -166.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.57 127.38 53.58 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.976 1.711 . . . . 0.0 110.076 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.38 149.24 40.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.489 1.916 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.04 138.63 52.72 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.583 1.953 . . . . 0.0 110.572 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -80.77 88.22 5.82 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.414 1.886 . . . . 0.0 110.829 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.91 -21.21 44.2 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 120.456 -1.403 . . . . 0.0 114.462 -165.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -101.59 -3.54 28.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 171.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.81 16.08 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 168.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -135.69 18.53 3.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.882 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 155.94 24.33 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 126.716 2.103 . . . . 0.0 113.78 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 132.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.938 1.295 . . . . 0.0 109.276 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.64 154.68 35.82 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.558 1.543 . . . . 0.0 112.931 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.1 p -133.22 173.03 11.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 112.62 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.24 170.61 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 126.378 1.871 . . . . 0.0 111.024 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.409 0 O-C-N 120.998 -1.064 . . . . 0.0 112.164 161.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.836 0 CA-C-O 121.532 0.518 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -143.14 171.57 13.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.821 1.648 . . . . 0.0 112.498 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.6 141.28 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 110.873 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.7 t -64.11 155.51 31.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.612 0.765 . . . . 0.0 112.902 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.68 -28.28 60.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -85.59 -8.14 58.45 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.99 1.716 . . . . 0.0 114.547 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -121.1 -173.21 2.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.928 2.491 . . . . 0.0 112.467 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.06 166.72 38.88 Favored Glycine 0 N--CA 1.447 -0.576 0 O-C-N 121.114 -0.991 . . . . 0.0 115.122 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.83 141.5 28.56 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.971 1.309 . . . . 0.0 112.113 177.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.52 127.39 32.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.643 0.377 . . . . 0.0 109.987 166.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -142.4 160.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 112.626 -169.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -149.56 119.19 6.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.519 1.127 . . . . 0.0 109.222 166.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.08 128.39 36.35 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 170.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -167.659 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -141.14 -23.55 0.75 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -95.19 144.75 25.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 119.854 1.206 . . . . 0.0 110.718 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -23.6 46.9 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 115.151 0.82 . . . . 0.0 115.151 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.4 -15.58 60.92 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -84.53 -7.95 59.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.126 1.37 . . . . 0.0 113.682 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.11 171.37 15.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.313 1.445 . . . . 0.0 110.767 160.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -95.86 107.04 19.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 156.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.49 -179.95 39.53 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.99 1.281 . . . . 0.0 112.292 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -71.94 7.12 1.72 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -175.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -120.83 9.98 10.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 127.191 2.196 . . . . 0.0 113.0 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 N--CA 1.447 -0.601 0 C-N-CA 126.76 2.024 . . . . 0.0 112.948 -175.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.74 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.164 -0.96 . . . . 0.0 112.996 173.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.34 67.73 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 169.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.37 -41.92 17.63 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.081 1.352 . . . . 0.0 112.277 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.22 67.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.285 1.034 . . . . 0.0 113.766 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -56.53 -21.25 24.89 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.934 2.494 . . . . 0.0 114.667 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.33 -8.75 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -65.48 129.05 38.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.153 -0.967 . . . . 0.0 111.167 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -92.2 -33.04 14.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.605 1.962 . . . . 0.0 115.884 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -112.0 -12.63 13.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.391 1.476 . . . . 0.0 114.066 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.59 38.41 24.47 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 119.916 1.235 . . . . 0.0 114.127 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -94.93 1.31 55.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.471 1.108 . . . . 0.0 112.884 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.0 t30 61.69 25.82 15.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 128.353 2.661 . . . . 0.0 114.982 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.32 153.46 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 124.531 1.132 . . . . 0.0 111.792 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -102.9 114.81 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 123.903 0.881 . . . . 0.0 108.639 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -144.57 169.77 17.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.779 1.632 . . . . 0.0 111.8 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -17.66 59.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -168.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.8 -18.07 58.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -70.75 126.18 28.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 119.746 1.157 . . . . 0.0 111.243 167.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.84 68.72 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.773 -1.204 . . . . 0.0 113.927 -172.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.8 65.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.693 -1.254 . . . . 0.0 114.223 -168.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -66.09 -22.45 66.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.659 1.118 . . . . 0.0 113.818 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -85.15 -17.02 38.5 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -75.27 139.32 42.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.549 0.74 . . . . 0.0 111.08 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -135.29 166.21 23.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.617 1.167 . . . . 0.0 111.744 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.0 136.04 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.542 1.137 . . . . 0.0 109.558 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -107.99 106.23 16.38 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.691 1.596 . . . . 0.0 110.619 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.34 100.29 9.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.865 1.266 . . . . 0.0 108.547 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -68.02 131.11 44.87 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.341 0.656 . . . . 0.0 110.568 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.4 -27.15 38.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -116.78 -5.04 11.57 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 56.37 48.55 16.78 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.859 2.063 . . . . 0.0 114.623 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -97.86 -12.5 22.07 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.63 16.44 77.76 Favored Glycine 0 C--N 1.331 0.305 0 O-C-N 120.974 -1.079 . . . . 0.0 113.908 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.98 128.43 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 161.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -86.18 147.9 25.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.819 0.448 . . . . 0.0 111.532 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -134.19 149.89 51.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.329 1.052 . . . . 0.0 110.049 171.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.21 69.83 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.309 1.044 . . . . 0.0 112.392 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.61 -22.5 66.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.5 -1.17 57.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.172 1.389 . . . . 0.0 113.369 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.73 142.52 35.31 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 112.226 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -142.62 151.76 41.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.829 1.652 . . . . 0.0 111.263 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -78.31 161.57 27.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.529 0.732 . . . . 0.0 111.556 168.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.35 -36.67 81.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.835 -1.166 . . . . 0.0 112.468 -170.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 -15.92 60.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.57 -32.81 68.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 120.365 1.439 . . . . 0.0 111.586 166.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.26 -6.53 56.73 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.125 1.37 . . . . 0.0 114.106 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.4 18.89 78.83 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 124.057 0.837 . . . . 0.0 114.739 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -80.03 121.35 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 118.518 1.159 . . . . 0.0 108.608 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -89.43 -49.07 6.91 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.061 0.944 . . . . 0.0 112.188 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 81.3 p -156.72 157.33 34.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.8 mt -106.88 147.01 30.3 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.51 1.924 . . . . 0.0 109.824 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -93.51 138.24 31.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 124.135 0.974 . . . . 0.0 111.98 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.7 mt -94.55 -10.74 31.19 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.273 1.029 . . . . 0.0 113.59 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.26 130.82 34.52 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.443 1.097 . . . . 0.0 111.534 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -148.94 164.62 34.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.736 1.214 . . . . 0.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -128.16 151.19 49.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.268 2.627 . . . . 0.0 110.057 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.85 132.43 40.34 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.934 0.894 . . . . 0.0 111.965 172.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.4 -29.62 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 124.975 1.31 . . . . 0.0 113.385 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 m120 46.12 55.62 7.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.612 1.965 . . . . 0.0 114.47 170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.45 136.44 53.79 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.444 1.898 . . . . 0.0 112.227 -161.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -81.07 136.24 35.92 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.907 1.283 . . . . 0.0 111.273 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.4 15.8 20.14 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.153 1.781 . . . . 0.0 114.228 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 76.62 168.21 27.61 Favored Glycine 0 CA--C 1.527 0.812 0 O-C-N 121.156 -0.965 . . . . 0.0 113.165 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.3 m120 49.18 22.02 0.59 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.581 1.952 . . . . 0.0 116.097 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.77 7.33 84.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 126.1 1.809 . . . . 0.0 115.791 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -85.75 144.74 27.6 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.676 1.738 . . . . 0.0 111.944 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -139.99 130.84 26.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.049 0.939 . . . . 0.0 112.582 -172.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 31.0 tp -104.43 119.24 38.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 126.5 1.92 . . . . 0.0 110.323 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.6 -56.08 3.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.42 1.088 . . . . 0.0 112.19 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -136.74 150.79 48.61 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.943 1.697 . . . . 0.0 111.565 -171.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -139.92 137.9 35.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.849 1.259 . . . . 0.0 112.869 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.1 -152.26 6.0 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 128.203 2.811 . . . . 0.0 110.415 170.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.6 m -138.0 166.63 23.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -137.5 162.06 34.7 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.516 1.126 . . . . 0.0 110.953 166.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 93.6 m -120.66 138.64 53.83 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.255 1.822 . . . . 0.0 111.861 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -98.21 159.74 14.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.15 1.38 . . . . 0.0 111.923 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.8 p -65.28 -17.5 64.56 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -82.42 -4.86 58.14 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 170.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.58 69.8 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 125.621 1.581 . . . . 0.0 115.109 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 67.7 p -73.79 152.65 40.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.757 1.779 . . . . 0.0 111.834 173.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.2 p -126.48 153.44 45.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.647 1.179 . . . . 0.0 111.925 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.42 168.48 25.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.188 1.395 . . . . 0.0 111.461 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -74.62 155.46 37.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.79 158.56 43.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.091 0.957 . . . . 0.0 109.869 158.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.22 166.86 39.99 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 117.168 1.627 . . . . 0.0 117.168 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -84.53 108.89 17.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.347 2.259 . . . . 0.0 110.712 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.48 137.59 54.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.549 1.54 . . . . 0.0 110.754 -166.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -113.42 107.09 15.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.241 1.816 . . . . 0.0 108.958 173.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.326 -0.447 0 C-N-CA 123.162 0.585 . . . . 0.0 111.112 177.193 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.8 173.01 14.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 127.609 2.364 . . . . 0.0 112.306 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 tp -121.49 127.32 50.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.609 1.564 . . . . 0.0 107.953 164.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.06 153.9 51.89 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.8 1.24 . . . . 0.0 113.572 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -113.07 139.3 48.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.103 1.761 . . . . 0.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.38 106.08 13.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.932 0.893 . . . . 0.0 109.362 166.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.22 -29.68 18.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -97.3 -11.5 24.01 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 114.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.34 40.95 5.62 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 170.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -137.08 20.19 3.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 113.789 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 154.32 30.28 Favored Glycine 0 C--N 1.341 0.819 0 C-N-CA 126.166 1.841 . . . . 0.0 112.619 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mt -71.52 130.52 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 121.425 -1.044 . . . . 0.0 109.509 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -119.95 151.19 39.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.379 1.071 . . . . 0.0 113.073 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.6 p -140.8 158.06 44.5 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.523 1.529 . . . . 0.0 112.29 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 m -140.49 155.27 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.992 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 122.955 0.502 . . . . 0.0 110.824 165.097 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 120.797 0.109 . . . . 0.0 113.097 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -153.76 171.67 18.53 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.829 1.251 . . . . 0.0 112.047 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.77 137.22 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 125.92 1.688 . . . . 0.0 110.577 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -61.4 156.99 17.78 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 113.743 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -9.14 36.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -172.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.72 -13.72 31.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.72 1.608 . . . . 0.0 113.539 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -119.13 176.42 5.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.551 2.341 . . . . 0.0 111.798 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.04 159.77 30.26 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.334 -1.479 . . . . 0.0 116.217 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -88.3 142.07 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.023 1.729 . . . . 0.0 111.31 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.8 tp -80.34 128.49 33.61 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.284 1.033 . . . . 0.0 109.997 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 m -147.48 160.8 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.325 1.45 . . . . 0.0 112.725 -167.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -144.7 133.75 22.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.068 1.747 . . . . 0.0 111.499 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -79.05 126.33 30.56 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.006 0.523 . . . . 0.0 110.644 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 124.799 1.239 . . . . 0.0 114.102 -176.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.77 3.5 0.47 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -135.22 144.49 46.95 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.924 1.29 . . . . 0.0 110.71 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.04 59.93 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -15.87 63.36 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.6 -3.95 58.14 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.601 1.561 . . . . 0.0 113.676 -175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.49 161.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.358 1.863 . . . . 0.0 110.425 167.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.28 141.22 29.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.737 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.88 -158.13 28.69 Favored Glycine 0 C--N 1.342 0.865 0 O-C-N 121.703 -0.623 . . . . 0.0 114.553 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.31 -19.2 63.88 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.21 -16.24 47.27 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.993 -1.067 . . . . 0.0 112.45 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 CA--C 1.515 -0.403 0 CA-C-N 119.788 1.176 . . . . 0.0 111.874 -177.5 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 123.083 1.42 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.68 69.23 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -161.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.65 66.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.82 -27.37 21.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.768 0.827 . . . . 0.0 112.621 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.48 66.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.93 -17.41 63.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.07 -12.75 19.42 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.44 -1.413 . . . . 0.0 114.672 -167.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.57 127.7 33.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.187 0.995 . . . . 0.0 110.992 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.2 p -82.03 -44.92 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.319 1.048 . . . . 0.0 113.631 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -108.76 -8.87 15.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 125.585 1.554 . . . . 0.0 114.276 -166.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.56 28.43 57.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 118.889 -0.951 . . . . 0.0 114.574 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -81.73 -3.21 53.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.059 1.43 . . . . 0.0 112.47 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.4 t30 68.82 22.8 7.11 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.666 1.986 . . . . 0.0 114.877 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.64 150.52 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 111.844 170.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.7 mm -98.98 110.01 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 171.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -139.24 172.66 12.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.053 0.941 . . . . 0.0 112.109 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.65 -16.05 9.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.87 -25.35 43.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.54 140.32 48.07 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 119.98 1.264 . . . . 0.0 112.072 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.98 73.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 120.863 -1.148 . . . . 0.0 112.869 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.11 -23.9 56.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.52 -30.87 71.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.331 0.969 . . . . 0.0 112.384 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -82.65 -15.28 52.64 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 123.822 0.849 . . . . 0.0 113.243 173.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -93.64 -32.09 14.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.829 1.252 . . . . 0.0 113.55 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.32 150.36 41.93 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.473 1.109 . . . . 0.0 112.251 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -135.01 166.42 23.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.282 1.433 . . . . 0.0 110.726 172.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.6 129.15 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.069 1.348 . . . . 0.0 109.329 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -105.97 123.45 48.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.392 1.077 . . . . 0.0 111.651 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -124.05 99.19 6.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.885 2.074 . . . . 0.0 109.379 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.61 125.55 34.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.145 0.978 . . . . 0.0 111.395 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.64 -14.78 41.68 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -172.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -117.53 -11.88 10.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.05 1.34 . . . . 0.0 114.55 171.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 54.33 52.5 12.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 127.475 2.31 . . . . 0.0 113.786 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -107.69 7.75 28.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.21 1.404 . . . . 0.0 113.604 -174.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.71 6.7 88.39 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.345 -1.253 . . . . 0.0 115.739 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.5 mt -119.37 128.84 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.981 1.391 . . . . 0.0 109.052 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -101.03 157.46 16.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.021 1.328 . . . . 0.0 112.766 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -143.74 158.5 43.64 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 126.442 1.897 . . . . 0.0 109.524 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.22 70.01 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.596 -1.315 . . . . 0.0 113.276 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -69.5 -17.78 63.63 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 171.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -96.22 -11.74 25.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.556 1.142 . . . . 0.0 113.501 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -90.03 150.4 22.12 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 0.0 111.212 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -135.22 152.75 51.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.659 1.984 . . . . 0.0 110.371 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.8 p -82.71 158.55 22.86 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.386 1.475 . . . . 0.0 111.174 163.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.84 -37.35 84.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.1 -1.0 . . . . 0.0 111.392 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.44 -46.43 88.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.89 1.676 . . . . 0.0 113.655 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.72 -20.45 61.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -80.85 7.88 9.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.354 . . . . 0.0 112.199 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.47 70.65 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.06 -1.025 . . . . 0.0 113.819 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 49.4 mt -78.02 143.44 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.172 1.486 . . . . 0.0 108.885 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -121.4 -35.6 3.23 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.779 1.232 . . . . 0.0 111.843 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -146.22 158.09 43.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.275 1.43 . . . . 0.0 112.537 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.56 144.3 51.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 127.033 2.133 . . . . 0.0 109.752 169.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -77.79 148.27 34.86 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.42 0.628 . . . . 0.0 112.565 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.27 -10.64 27.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.386 1.075 . . . . 0.0 111.674 162.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.7 131.51 35.2 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.67 1.188 . . . . 0.0 113.025 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.23 173.06 8.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 127.204 2.202 . . . . 0.0 112.621 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -140.77 141.21 34.85 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.339 2.256 . . . . 0.0 109.864 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -78.9 123.66 27.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.172 0.896 . . . . 0.0 111.58 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 -30.23 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 52.82 52.81 13.21 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 124.906 1.282 . . . . 0.0 114.313 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.81 153.84 22.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.757 2.023 . . . . 0.0 114.102 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 142' ' ' GLY . 11.9 t-20 -96.21 133.83 40.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.096 1.358 . . . . 0.0 113.123 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.49 2.3 17.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.882 1.273 . . . . 0.0 113.453 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . 0.409 ' H ' ' ND2' ' A' ' 140' ' ' ASN . . . 84.45 165.39 39.37 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 114.343 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 50.02 27.36 2.43 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 115.15 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.81 -0.18 72.95 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 125.759 1.647 . . . . 0.0 115.592 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -87.94 137.5 32.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.513 1.657 . . . . 0.0 112.411 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.9 m -131.4 128.37 39.42 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.674 1.19 . . . . 0.0 112.168 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.1 105.27 17.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.369 1.868 . . . . 0.0 109.2 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.35 9.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.371 -0.831 . . . . 0.0 112.492 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -137.43 146.48 44.43 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.899 1.28 . . . . 0.0 112.045 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.76 137.53 54.89 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 126.216 1.807 . . . . 0.0 111.133 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.51 -164.17 11.06 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 126.647 2.07 . . . . 0.0 111.601 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.4 t -138.78 151.08 46.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.222 -1.163 . . . . 0.0 113.241 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -123.93 157.18 34.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.769 1.228 . . . . 0.0 112.317 164.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.7 m -121.24 130.32 53.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.603 1.561 . . . . 0.0 110.192 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 161' ' ' ALA . 87.4 mttt -90.55 164.2 14.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.71 1.204 . . . . 0.0 112.271 -177.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.4 p -61.66 -25.99 67.73 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -77.43 9.21 3.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.026 1.33 . . . . 0.0 114.202 171.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.66 -11.01 58.08 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.508 2.004 . . . . 0.0 115.518 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 36.6 p -85.39 155.72 21.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.173 1.389 . . . . 0.0 113.438 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.6 p -105.55 155.71 18.93 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.176 1.391 . . . . 0.0 113.422 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.4 ' HB2' ' HE3' ' A' ' 155' ' ' LYS . . . -149.95 158.94 44.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 112.076 -169.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -89.61 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -166.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.48 160.74 41.71 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.902 1.281 . . . . 0.0 112.108 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.78 167.91 40.33 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 117.561 1.784 . . . . 0.0 117.561 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -92.51 109.35 20.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.429 2.291 . . . . 0.0 110.248 -172.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.59 113.61 27.23 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.393 1.477 . . . . 0.0 111.192 -172.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 55.9 tp -83.74 106.17 15.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 165.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.444 -0.772 0 C-N-CA 123.853 0.861 . . . . 0.0 110.322 -176.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.34 168.38 24.96 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 122.732 0.413 . . . . 0.0 111.907 -176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -102.12 125.53 48.83 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 107.851 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.74 144.67 43.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.178 1.391 . . . . 0.0 111.37 -176.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -114.43 135.42 54.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.32 1.848 . . . . 0.0 110.817 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -76.42 105.85 7.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.002 1.321 . . . . 0.0 109.309 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.77 -27.15 20.2 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -171.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -105.38 -5.87 20.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.21 31.15 9.28 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 117.056 1.583 . . . . 0.0 117.056 166.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -125.84 20.59 7.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.278 1.539 . . . . 0.0 113.693 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.12 160.32 35.94 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 126.581 2.039 . . . . 0.0 113.36 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.59 131.13 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.854 1.262 . . . . 0.0 109.277 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -129.82 150.36 51.15 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.214 1.405 . . . . 0.0 112.247 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -135.15 156.57 48.77 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.98 132.81 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 127.502 2.321 . . . . 0.0 109.844 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 -176.188 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.863 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.26 172.44 12.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.217 1.407 . . . . 0.0 112.919 -163.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.1 m -72.06 152.7 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 120.571 -1.33 . . . . 0.0 112.797 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -57.26 155.56 8.68 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.454 1.502 . . . . 0.0 112.243 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -19.48 57.44 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.34 -24.28 34.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.47 176.58 5.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.42 1.888 . . . . 0.0 112.756 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.78 33.26 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 121.432 -0.793 . . . . 0.0 114.71 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.16 136.5 48.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.186 1.395 . . . . 0.0 111.289 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.2 127.67 32.62 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.341 1.056 . . . . 0.0 110.253 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -149.33 166.27 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.064 1.346 . . . . 0.0 111.763 -168.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -149.65 144.1 25.93 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.794 0.838 . . . . 0.0 111.757 161.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -76.92 120.3 21.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.353 0.661 . . . . 0.0 111.365 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.445 -0.714 0 C-N-CA 125.796 1.639 . . . . 0.0 113.896 -176.447 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -121.04 -6.98 9.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -171.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -131.36 147.06 52.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.631 1.172 . . . . 0.0 112.216 173.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.99 57.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.22 -17.44 61.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.766 1.283 . . . . 0.0 114.278 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.78 -17.02 61.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.46 1.104 . . . . 0.0 112.789 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.65 144.04 25.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.366 1.466 . . . . 0.0 110.248 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.2 112.39 10.3 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.524 0.329 . . . . 0.0 110.746 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.29 -172.63 38.3 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.682 1.134 . . . . 0.0 112.532 -172.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.07 -10.02 45.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -118.11 15.36 14.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.854 1.661 . . . . 0.0 114.124 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.557 0 C-N-CA 124.928 1.291 . . . . 0.0 113.732 -175.576 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 p90 . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.3 86.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.791 0.723 . . . . 0.0 112.678 169.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.9 93.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.359 1.064 . . . . 0.0 111.895 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.29 -36.89 84.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.281 -0.887 . . . . 0.0 112.562 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.94 -16.66 64.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -73.66 -27.95 61.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.471 1.032 . . . . 0.0 112.172 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.48 -14.45 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.285 1.434 . . . . 0.0 113.83 -177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.37 113.13 3.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.297 1.039 . . . . 0.0 112.178 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -73.77 -17.36 61.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -110.38 -23.65 11.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -165.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.22 35.02 35.18 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 118.813 0.733 . . . . 0.0 113.95 -168.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -105.28 -12.48 16.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.188 1.395 . . . . 0.0 113.135 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.63 26.83 15.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 127.396 2.278 . . . . 0.0 114.253 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.4 pt -129.02 153.37 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.336 1.454 . . . . 0.0 111.093 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.52 120.48 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 124.217 1.007 . . . . 0.0 109.681 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -149.65 175.5 11.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.477 1.511 . . . . 0.0 111.586 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 -17.85 14.24 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -173.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.27 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 120.854 -1.154 . . . . 0.0 113.056 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.8 123.47 27.74 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.813 1.245 . . . . 0.0 111.335 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.93 -30.61 66.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.185 -0.947 . . . . 0.0 112.966 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.67 58.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.98 -29.39 67.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 119.986 1.266 . . . . 0.0 112.573 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -78.26 -21.36 49.97 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.875 1.27 . . . . 0.0 114.219 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.4 p -115.15 -14.1 11.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.636 1.575 . . . . 0.0 114.887 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.41 147.23 53.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.633 1.173 . . . . 0.0 110.909 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -137.76 159.65 41.42 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.639 1.176 . . . . 0.0 110.689 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.88 126.34 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 109.233 170.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -99.96 127.42 46.15 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.909 1.284 . . . . 0.0 110.528 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -125.52 100.65 6.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.885 1.274 . . . . 0.0 109.175 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.4 131.88 44.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.147 -0.971 . . . . 0.0 111.35 -174.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.89 -17.46 37.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -116.08 1.15 13.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.663 1.185 . . . . 0.0 113.967 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 58.53 23.89 11.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 127.302 2.241 . . . . 0.0 114.624 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -77.19 -17.94 58.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.188 -1.57 . . . . 0.0 112.935 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.4 23.49 75.45 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.692 -1.06 . . . . 0.0 113.029 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -104.78 116.29 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 164.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 t -81.46 132.31 35.31 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.975 0.51 . . . . 0.0 112.276 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.35 150.51 37.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.408 1.483 . . . . 0.0 111.271 165.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -166.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -77.22 -6.25 52.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.73 -9.25 59.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.571 1.149 . . . . 0.0 113.896 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.51 145.19 29.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.262 1.425 . . . . 0.0 112.842 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.48 163.99 25.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.591 2.356 . . . . 0.0 113.219 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -77.25 165.93 23.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.062 1.345 . . . . 0.0 112.616 168.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.54 -36.64 79.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.209 1.003 . . . . 0.0 112.039 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.42 -31.27 62.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.56 -20.66 56.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.966 1.257 . . . . 0.0 113.087 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.09 2.79 37.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.533 1.533 . . . . 0.0 113.132 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.83 27.37 73.27 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 118.761 0.71 . . . . 0.0 114.394 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.1 mt -83.57 126.51 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 118.402 1.101 . . . . 0.0 109.856 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -90.41 -50.56 5.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.526 1.53 . . . . 0.0 110.925 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.2 p -157.59 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.612 1.165 . . . . 0.0 111.908 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.45 124.94 39.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.989 1.315 . . . . 0.0 110.966 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -94.29 113.9 25.89 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.495 1.118 . . . . 0.0 112.29 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 mt -73.65 0.13 13.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.242 1.417 . . . . 0.0 114.817 -174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.27 116.98 25.72 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 120.454 -1.404 . . . . 0.0 112.833 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -102.17 170.26 8.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.871 1.668 . . . . 0.0 114.233 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -121.92 147.22 46.3 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.227 1.811 . . . . 0.0 108.713 151.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.22 136.94 52.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.544 0.338 . . . . 0.0 111.721 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.78 -27.35 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 125.208 1.403 . . . . 0.0 114.232 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.4 m120 46.72 49.3 14.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.578 1.951 . . . . 0.0 113.998 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -101.23 122.49 43.75 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.588 1.955 . . . . 0.0 112.553 -166.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -66.35 127.66 33.12 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.664 -0.648 . . . . 0.0 110.836 168.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.35 -26.42 11.5 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.824 0.85 . . . . 0.0 112.623 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 178.61 -172.09 44.4 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 125.546 1.546 . . . . 0.0 112.167 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -57.8 108.26 0.55 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.597 -0.943 . . . . 0.0 112.427 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.37 69.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.362 -1.243 . . . . 0.0 116.133 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -113.87 121.91 45.4 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 119.613 1.707 . . . . 0.0 111.647 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.9 m -142.43 131.47 23.14 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.624 1.57 . . . . 0.0 111.179 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.93 112.38 24.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.431 1.893 . . . . 0.0 110.292 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.96 -53.17 7.31 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.676 -0.64 . . . . 0.0 112.581 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -133.68 142.71 48.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.255 1.422 . . . . 0.0 110.089 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -141.87 141.21 33.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.705 -168.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.01 -150.13 5.25 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 127.677 2.56 . . . . 0.0 110.501 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 67.6 m -141.28 164.53 30.01 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -123.88 160.12 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.802 2.041 . . . . 0.0 109.947 167.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.4 m -106.61 134.51 49.64 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.086 1.754 . . . . 0.0 111.19 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -92.64 161.46 14.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.313 1.845 . . . . 0.0 111.325 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 37.3 p -63.32 -17.99 63.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -79.64 0.09 31.64 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 125.831 1.652 . . . . 0.0 114.785 169.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.85 -2.71 78.95 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 126.66 2.076 . . . . 0.0 115.512 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.0 p -80.18 160.47 25.64 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 119.63 1.715 . . . . 0.0 110.906 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 69.9 p -117.73 154.55 31.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.514 -0.741 . . . . 0.0 112.473 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.49 157.04 45.65 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.595 1.158 . . . . 0.0 111.124 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.82 150.7 36.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.636 0.775 . . . . 0.0 112.79 -168.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -147.2 159.59 43.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.846 1.258 . . . . 0.0 111.203 168.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.75 173.32 44.71 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.02 123.28 27.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.035 1.734 . . . . 0.0 111.443 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 55.1 tp -129.45 134.52 47.87 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.892 1.677 . . . . 0.0 112.656 -167.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.91 127.63 33.37 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.678 1.591 . . . . 0.0 110.189 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 N--CA 1.447 -0.62 0 C-N-CA 125.315 1.446 . . . . 0.0 110.092 171.557 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 20.9 p30 . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.59 155.96 24.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.473 1.909 . . . . 0.0 112.741 168.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.8 mt -83.71 139.37 32.8 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.08 1.352 . . . . 0.0 112.808 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.49 160.25 40.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.78 1.632 . . . . 0.0 113.861 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mp -126.59 146.92 49.97 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.923 1.289 . . . . 0.0 113.066 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -85.1 103.43 14.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.097 1.359 . . . . 0.0 109.882 167.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.05 -25.23 32.31 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -166.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.36 -5.81 12.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.38 35.84 8.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -126.18 16.71 7.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.33 1.565 . . . . 0.0 114.74 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.49 162.24 31.47 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 125.689 1.614 . . . . 0.0 112.447 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.78 106.03 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -89.32 129.01 35.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.934 0.894 . . . . 0.0 111.287 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -129.63 148.2 51.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.848 1.259 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.334 2.254 . . . . 0.0 111.419 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.714 . . . . 0.0 111.495 170.623 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -121.77 159.77 25.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.427 1.113 . . . . 0.0 111.434 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.7 128.31 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 122.032 0.92 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 t -61.06 161.7 8.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.289 1.836 . . . . 0.0 112.243 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.74 -9.36 1.71 Allowed 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.74 -27.59 55.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 126.012 1.725 . . . . 0.0 114.053 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -128.83 -172.79 2.8 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.848 2.459 . . . . 0.0 113.013 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.59 37.65 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -95.73 144.74 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.897 2.079 . . . . 0.0 111.677 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.69 127.12 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 119.345 0.975 . . . . 0.0 111.051 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.87 164.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 112.086 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -124.72 114.3 19.11 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.57 1.548 . . . . 0.0 109.108 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -88.19 96.34 10.51 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.001 0.819 . . . . 0.0 109.957 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.447 -0.595 0 C-N-CA 126.07 1.748 . . . . 0.0 114.153 -165.189 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.102 0.477 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -136.63 -14.42 1.67 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.197 1.399 . . . . 0.0 113.279 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -117.23 146.92 42.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.543 1.137 . . . . 0.0 111.502 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.25 -14.18 73.92 Favored Glycine 0 CA--C 1.525 0.701 0 O-C-N 120.855 -1.153 . . . . 0.0 115.62 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.33 -9.24 59.19 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 118.501 1.15 . . . . 0.0 113.859 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.3 -8.17 55.3 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.73 -1.231 . . . . 0.0 113.683 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -97.63 160.84 14.07 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.398 1.479 . . . . 0.0 111.749 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -107.31 133.1 52.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.131 0.972 . . . . 0.0 110.316 163.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.17 -178.99 40.53 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 125.482 1.515 . . . . 0.0 111.707 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.87 -1.57 20.08 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -123.36 3.74 9.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 125.517 1.527 . . . . 0.0 114.723 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 0.0 112.937 -178.266 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.35 59.1 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 112.299 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.78 81.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.767 1.227 . . . . 0.0 112.08 171.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.3 -39.7 71.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.077 0.951 . . . . 0.0 112.026 170.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.6 66.68 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.83 -24.14 65.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.811 1.187 . . . . 0.0 113.066 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.8 -13.0 60.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.47 1.108 . . . . 0.0 113.666 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.73 127.61 33.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 120.26 1.391 . . . . 0.0 112.303 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -90.67 -19.31 23.76 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.846 1.658 . . . . 0.0 115.287 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -110.92 -23.97 10.67 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -160.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.66 26.69 58.41 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.269 -0.895 . . . . 0.0 114.66 -165.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -102.34 8.49 40.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.644 1.722 . . . . 0.0 114.373 -174.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.0 t30 59.08 11.91 2.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.918 2.487 . . . . 0.0 116.281 -174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.7 pt -129.24 149.57 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 119.449 1.022 . . . . 0.0 113.547 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -98.59 115.72 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.781 1.633 . . . . 0.0 108.018 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.47 175.58 13.42 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 126.068 1.747 . . . . 0.0 112.131 -170.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.27 -17.77 8.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -13.8 61.9 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.84 1.2 . . . . 0.0 113.784 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -94.77 132.27 39.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.376 1.871 . . . . 0.0 112.398 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.22 -25.24 66.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.18 -16.84 55.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.14 -35.03 74.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -165.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -70.51 -19.9 62.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.818 -1.176 . . . . 0.0 113.963 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 p -79.43 -13.92 59.27 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.06 141.84 49.25 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.936 0.894 . . . . 0.0 111.902 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -141.31 162.53 35.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.944 1.698 . . . . 0.0 109.976 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.07 130.31 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.725 1.21 . . . . 0.0 109.021 165.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -99.62 107.7 19.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.936 0.894 . . . . 0.0 111.148 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -105.01 105.11 15.0 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.0 108.615 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -94.62 110.32 22.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.425 -0.797 . . . . 0.0 110.471 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.47 HD22 ' H ' ' A' ' 108' ' ' LEU . 2.7 mm? -61.43 -25.79 67.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.936 0.894 . . . . 0.0 112.974 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -115.58 -4.48 12.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.829 1.652 . . . . 0.0 115.345 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 53.48 28.51 7.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 116.798 2.148 . . . . 0.0 116.798 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.17 -1.7 30.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.92 -6.1 72.36 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 120.012 -1.68 . . . . 0.0 115.285 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.17 139.76 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.829 1.652 . . . . 0.0 108.942 171.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -96.37 151.67 19.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.341 1.056 . . . . 0.0 112.572 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -136.43 157.88 45.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.964 1.705 . . . . 0.0 110.095 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.74 71.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -169.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.92 -9.15 58.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.24 -23.99 15.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.883 1.273 . . . . 0.0 112.924 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.36 131.14 34.45 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.4 0.68 . . . . 0.0 109.714 169.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -126.27 156.69 39.93 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.933 2.493 . . . . 0.0 111.216 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.0 p -73.68 158.71 34.2 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.626 -0.671 . . . . 0.0 111.665 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.07 -42.42 80.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.119 0.568 . . . . 0.0 110.327 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.06 -31.85 71.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.65 -18.24 61.58 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 120.402 1.455 . . . . 0.0 113.613 172.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.15 10.69 30.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 111.998 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.69 17.16 77.97 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-O 118.564 -1.131 . . . . 0.0 114.767 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.23 131.95 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-N 119.432 1.616 . . . . 0.0 109.575 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -101.96 -44.1 5.59 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 112.916 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.4 p -159.29 156.81 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.711 1.205 . . . . 0.0 111.992 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.66 132.69 54.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 109.456 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.67 145.09 24.81 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.127 0.971 . . . . 0.0 112.665 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.86 1.6 53.17 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.62 126.54 31.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 120.437 -1.414 . . . . 0.0 112.307 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -122.73 152.78 40.26 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.809 1.243 . . . . 0.0 113.747 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -139.15 126.78 21.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 127.685 2.394 . . . . 0.0 109.958 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -75.3 135.6 40.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.829 1.195 . . . . 0.0 112.194 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.8 -32.14 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 C-N-CA 124.576 1.15 . . . . 0.0 113.43 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.63 39.3 28.02 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.987 2.115 . . . . 0.0 116.094 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -76.17 129.54 36.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.631 1.172 . . . . 0.0 112.205 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -64.28 127.86 33.3 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.014 0.926 . . . . 0.0 111.483 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 mt -108.5 0.32 20.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.542 1.137 . . . . 0.0 113.092 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.77 163.1 36.15 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 125.343 1.449 . . . . 0.0 114.359 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m120 57.17 22.48 7.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.63 4.39 76.3 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-O 118.277 -1.29 . . . . 0.0 115.626 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -91.22 144.93 25.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.94 1.87 . . . . 0.0 111.203 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 56.4 m -141.75 127.69 19.45 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 125.654 1.581 . . . . 0.0 111.138 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.43 98.99 4.73 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 168.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.16 -55.47 9.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 112.218 -174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -140.56 146.14 37.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.323 1.449 . . . . 0.0 111.893 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.16 141.96 47.94 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.622 1.569 . . . . 0.0 111.964 -166.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.41 -165.87 10.42 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.52 2.486 . . . . 0.0 111.14 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 96.9 p -140.68 161.05 38.68 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 29.3 p90 -130.36 149.83 51.87 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.822 1.249 . . . . 0.0 111.573 168.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.7 m -95.23 134.8 37.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.496 1.518 . . . . 0.0 109.706 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -87.94 162.16 17.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.814 1.246 . . . . 0.0 111.848 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -59.83 -23.77 63.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 114.361 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -92.43 13.77 18.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 114.141 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.93 -9.54 30.87 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 126.159 1.838 . . . . 0.0 116.309 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.8 p -71.03 154.81 41.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.64 1.72 . . . . 0.0 111.97 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 16.8 m -106.62 139.04 41.69 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.532 1.133 . . . . 0.0 110.75 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -136.6 165.01 26.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 124.842 1.257 . . . . 0.0 112.399 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -87.79 144.4 26.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.414 1.486 . . . . 0.0 113.749 -163.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.8 ptm -145.35 167.08 23.76 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.808 1.243 . . . . 0.0 111.282 164.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -166.37 168.3 39.9 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-O 122.05 0.805 . . . . 0.0 114.701 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -98.78 108.18 20.8 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 126.302 1.841 . . . . 0.0 109.102 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.0 mp -101.91 118.48 37.01 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.283 1.033 . . . . 0.0 111.426 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 38.5 tp -97.38 134.17 41.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.947 2.099 . . . . 0.0 111.631 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.442 -0.826 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 172.408 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 m -125.72 19.04 7.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.613 1.165 . . . . 0.0 113.196 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.18 142.83 29.18 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.665 1.186 . . . . 0.0 110.581 173.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.3 166.19 31.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -163.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.74 131.46 49.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 126.844 2.057 . . . . 0.0 108.154 170.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.65 160.57 39.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.812 1.245 . . . . 0.0 113.798 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -115.14 140.57 48.96 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.225 1.81 . . . . 0.0 110.184 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -80.71 103.68 10.71 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.165 0.986 . . . . 0.0 109.566 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.54 -25.55 22.47 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -109.75 6.26 23.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 114.068 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.74 27.76 34.03 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 117.237 1.655 . . . . 0.0 117.237 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -129.58 22.78 5.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.661 1.731 . . . . 0.0 114.392 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.81 155.12 31.37 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 127.266 2.365 . . . . 0.0 114.055 -175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mt -76.09 125.59 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 121.515 -0.991 . . . . 0.0 108.829 175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -128.27 150.6 49.98 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.764 0.792 . . . . 0.0 112.865 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -137.27 157.32 46.9 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.933 2.093 . . . . 0.0 112.051 -172.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -138.32 165.37 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.869 2.068 . . . . 0.0 111.572 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.21 151.1 47.71 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 121.274 -0.891 . . . . 0.0 111.646 161.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -80.21 133.89 36.07 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.225 -0.922 . . . . 0.0 112.891 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -138.45 -10.28 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 125.858 1.663 . . . . 0.0 115.004 171.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.97 -57.39 10.91 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 119.004 0.82 . . . . 0.0 113.218 -173.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -103.61 -7.86 20.44 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.307 1.843 . . . . 0.0 113.471 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -70.66 -4.62 24.39 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -166.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.63 -13.72 59.22 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 125.514 1.531 . . . . 0.0 114.464 169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -135.29 121.86 20.71 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.168 0.987 . . . . 0.0 109.041 162.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.7 mt -104.28 135.76 45.14 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.622 1.569 . . . . 0.0 110.749 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -73.06 162.26 29.67 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 122.32 1.057 . . . . 0.0 111.419 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -136.15 -177.57 4.76 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.178 0.991 . . . . 0.0 111.874 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -71.56 -6.27 39.51 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -171.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.07 -27.28 3.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 120.124 1.329 . . . . 0.0 113.703 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -74.83 111.64 10.24 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 120.215 1.37 . . . . 0.0 110.52 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.75 144.66 55.3 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.19 0.596 . . . . 0.0 111.813 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.77 -140.71 5.09 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 124.352 0.977 . . . . 0.0 111.506 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.7 mm -108.01 143.93 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 126.837 2.055 . . . . 0.0 110.064 171.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.23 135.0 50.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.28 1.032 . . . . 0.0 112.836 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.2 m -70.07 115.02 8.8 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.031 0.933 . . . . 0.0 112.58 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.46 135.16 34.37 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.131 1.372 . . . . 0.0 111.651 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.6 p -103.28 -17.41 15.32 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.259 1.424 . . . . 0.0 112.118 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.15 154.63 26.08 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 125.786 1.66 . . . . 0.0 113.674 171.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -154.88 171.26 19.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.5 1.12 . . . . 0.0 112.909 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.78 123.15 25.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 124.828 1.251 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.5 p -71.89 140.34 49.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.476 0.71 . . . . 0.0 112.124 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.11 -13.5 12.21 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -155.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.91 -24.02 67.4 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 119.72 1.145 . . . . 0.0 113.005 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.24 172.26 6.94 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.453 2.301 . . . . 0.0 112.547 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.43 156.5 27.02 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 115.19 0.836 . . . . 0.0 115.19 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.86 141.15 29.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.012 2.125 . . . . 0.0 110.262 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -85.38 127.09 34.24 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 123.74 0.816 . . . . 0.0 110.43 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.24 162.55 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.232 1.413 . . . . 0.0 112.989 -171.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -154.69 129.17 9.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.496 1.518 . . . . 0.0 110.123 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -71.87 114.61 10.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.021 0.439 . . . . 0.0 109.942 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.48 -4.92 42.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -103.81 2.48 32.83 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.863 2.065 . . . . 0.0 113.183 170.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 14.1 65.41 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 117.926 1.93 . . . . 0.0 117.926 168.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -103.4 5.32 37.04 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 119.549 1.675 . . . . 0.0 113.038 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.76 25.52 73.74 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.118 1.342 . . . . 0.0 114.98 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.7 mt -116.32 116.97 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.743 1.271 . . . . 0.0 110.134 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.37 125.84 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 C-N-CA 126.247 1.819 . . . . 0.0 108.106 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -149.53 -19.73 0.28 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.22 154.27 31.44 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.136 1.374 . . . . 0.0 113.484 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.56 -17.42 62.26 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -174.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.2 -14.1 57.9 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 119.763 1.781 . . . . 0.0 113.912 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -84.65 -16.63 41.25 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 126.279 1.831 . . . . 0.0 112.665 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.72 139.09 37.45 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.08 1.352 . . . . 0.0 108.719 157.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.93 143.06 41.86 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.594 0.711 . . . . 0.0 111.104 163.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.1 176.11 22.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 125.814 1.674 . . . . 0.0 109.921 -165.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.45 -1.43 10.78 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 119.524 1.662 . . . . 0.0 115.476 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -102.8 9.27 39.09 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 126.177 1.791 . . . . 0.0 113.094 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 t -91.36 160.1 15.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.453 1.501 . . . . 0.0 112.248 165.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -112.08 155.16 24.31 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.594 1.158 . . . . 0.0 114.015 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.02 173.03 9.11 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 129.161 2.985 . . . . 0.0 111.96 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.0 -7.35 40.1 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -98.23 -7.52 29.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 120.242 1.383 . . . . 0.0 113.516 169.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.17 -0.26 58.7 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 126.191 1.853 . . . . 0.0 115.142 -173.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -74.41 146.55 42.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 120.153 1.976 . . . . 0.0 112.153 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -67.5 145.72 54.67 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 121.123 -0.985 . . . . 0.0 111.74 165.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.75 151.63 39.13 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.698 -0.626 . . . . 0.0 112.405 172.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -75.74 -33.48 60.25 Favored 'General case' 0 N--CA 1.444 -0.762 0 O-C-N 121.265 -0.897 . . . . 0.0 111.517 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -140.23 121.27 14.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.337 1.855 . . . . 0.0 109.14 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.25 -29.12 55.96 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.873 1.225 . . . . 0.0 116.16 -171.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.6 -37.32 85.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 119.471 1.635 . . . . 0.0 111.502 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -19.21 65.53 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.2 65.36 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.51 -24.59 61.99 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 119.043 0.838 . . . . 0.0 112.42 171.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.27 -18.74 64.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 119.643 1.11 . . . . 0.0 113.441 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -70.99 -17.89 62.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.261 1.024 . . . . 0.0 113.258 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.8 mt -94.36 -12.17 28.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.575 1.55 . . . . 0.0 113.839 -169.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -70.26 128.52 36.52 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 119.15 0.886 . . . . 0.0 109.895 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -89.73 -36.23 15.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -171.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -106.51 -15.06 14.89 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.094 1.358 . . . . 0.0 114.1 -172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.09 33.56 26.11 Favored Glycine 0 C--O 1.221 -0.688 0 CA-C-N 119.903 1.229 . . . . 0.0 114.2 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -84.48 -12.92 53.37 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.304 1.052 . . . . 0.0 112.307 168.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.317 5.9 t30 68.27 29.72 5.88 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 128.353 2.661 . . . . 0.0 115.854 -174.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.2 pt -128.07 144.92 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 124.414 1.086 . . . . 0.0 111.518 161.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.1 mm -89.87 104.58 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 169.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -135.38 173.15 12.04 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.597 1.159 . . . . 0.0 111.845 -172.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.95 -17.39 9.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 -167.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.5 -17.36 45.4 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.384 -1.448 . . . . 0.0 114.61 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -78.14 136.96 37.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 120.758 1.617 . . . . 0.0 113.363 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.05 80.1 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 121.025 -1.047 . . . . 0.0 113.313 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -18.1 65.12 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -59.71 -34.94 73.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 119.409 1.004 . . . . 0.0 112.258 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.75 -23.4 39.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.835 0.854 . . . . 0.0 112.881 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m -82.64 -30.18 29.56 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.949 1.3 . . . . 0.0 114.173 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.33 147.0 53.52 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 124.625 1.17 . . . . 0.0 110.933 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -141.87 166.83 23.66 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.738 1.615 . . . . 0.0 111.009 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.1 t -122.44 140.72 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.876 1.27 . . . . 0.0 109.695 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -117.84 130.35 56.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.562 1.545 . . . . 0.0 111.122 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -129.73 109.22 10.79 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.765 1.626 . . . . 0.0 110.904 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -104.05 119.21 38.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.456 1.103 . . . . 0.0 110.586 -175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.7 mt -88.14 -12.58 43.62 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.143 1.777 . . . . 0.0 113.08 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -113.82 -13.2 12.63 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.205 1.402 . . . . 0.0 113.38 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 55.64 38.04 29.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.021 2.129 . . . . 0.0 115.253 171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.87 -3.97 58.89 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 114.656 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.47 -13.15 29.76 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.145 1.355 . . . . 0.0 115.413 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.6 mm -90.34 136.59 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.326 1.063 . . . . 0.0 108.915 169.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.2 t -95.14 123.3 38.56 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.66 1.184 . . . . 0.0 110.171 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -112.09 158.32 19.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.691 1.596 . . . . 0.0 111.546 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.3 70.35 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -68.72 -19.0 64.34 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.86 -5.35 58.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.594 1.558 . . . . 0.0 113.016 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.51 150.72 23.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.113 1.765 . . . . 0.0 112.922 -173.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -135.98 135.37 39.48 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.498 2.319 . . . . 0.0 111.063 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.4 p -76.65 159.41 30.27 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 118.733 0.697 . . . . 0.0 111.102 162.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.39 -36.78 85.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.259 -0.9 . . . . 0.0 112.409 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -69.47 -40.01 77.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.403 0.681 . . . . 0.0 112.07 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.37 -21.42 63.8 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 17.4 tp -94.01 3.34 55.48 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.255 1.822 . . . . 0.0 113.314 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 24.86 74.21 Favored Glycine 0 C--N 1.335 0.485 0 O-C-N 120.817 -1.177 . . . . 0.0 114.537 176.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -84.67 141.22 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 124.92 1.288 . . . . 0.0 109.105 176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.22 -39.65 3.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.844 1.258 . . . . 0.0 113.0 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.0 p -157.25 156.73 33.01 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -114.98 138.67 50.58 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.541 1.936 . . . . 0.0 109.367 169.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -85.8 133.88 33.96 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 123.458 0.703 . . . . 0.0 112.591 173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.13 41.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.876 1.271 . . . . 0.0 111.958 173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.36 127.75 22.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.474 1.509 . . . . 0.0 111.128 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -142.6 161.67 37.46 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.605 1.562 . . . . 0.0 113.747 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -121.74 144.71 48.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.749 2.019 . . . . 0.0 110.718 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.53 125.84 29.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.377 1.071 . . . . 0.0 111.263 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.91 -26.42 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 m120 47.15 41.42 11.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.431 1.893 . . . . 0.0 114.462 170.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -96.39 138.46 33.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.734 2.014 . . . . 0.0 110.864 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -74.13 146.24 43.69 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 111.071 172.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.0 mt -117.04 5.82 12.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.41 1.484 . . . . 0.0 113.378 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.17 165.05 22.97 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 124.944 1.259 . . . . 0.0 114.446 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 50.24 28.54 3.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 114.357 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 82.63 8.73 85.67 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 125.195 1.379 . . . . 0.0 115.873 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.98 155.22 16.83 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.264 1.532 . . . . 0.0 111.915 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.9 m -138.61 146.02 41.25 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.165 1.386 . . . . 0.0 111.518 -173.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 tp -107.28 109.56 21.36 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 127.247 2.219 . . . . 0.0 108.912 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.58 6.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.935 -0.478 . . . . 0.0 112.031 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -141.83 143.27 33.3 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.632 1.573 . . . . 0.0 110.139 -165.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -135.06 128.71 32.78 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 123.897 0.879 . . . . 0.0 112.311 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -123.43 -153.02 8.61 Favored Glycine 0 C--N 1.337 0.585 0 C-N-CA 127.583 2.516 . . . . 0.0 111.878 167.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.3 p -148.96 155.27 40.59 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -162.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -143.89 159.46 42.51 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.048 1.339 . . . . 0.0 113.349 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.6 m -115.27 135.57 54.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.43 1.892 . . . . 0.0 111.313 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.39 153.58 17.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 126.47 1.908 . . . . 0.0 111.677 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.7 p -59.37 -31.89 69.63 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.569 1.147 . . . . 0.0 112.927 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.8 p30 -72.86 3.0 5.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.627 1.571 . . . . 0.0 114.908 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.74 5.58 87.98 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.29 1.424 . . . . 0.0 116.042 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 26.0 m -83.01 146.2 28.88 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.258 1.023 . . . . 0.0 110.925 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 p -118.64 144.67 46.01 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.798 1.239 . . . . 0.0 112.767 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.64 169.18 22.77 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.838 1.255 . . . . 0.0 113.763 -171.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -85.17 148.5 26.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 113.022 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.9 ptm -142.11 153.85 44.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.618 1.167 . . . . 0.0 110.066 166.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.8 167.49 40.52 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 -169.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -93.64 127.07 39.15 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 126.779 2.031 . . . . 0.0 111.386 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 mp -123.12 150.9 42.64 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.994 1.717 . . . . 0.0 112.079 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -110.86 126.4 54.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.49 1.116 . . . . 0.0 108.021 160.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.19 143.37 32.72 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 124.508 1.123 . . . . 0.0 111.142 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.07 136.73 46.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 121.852 -0.53 . . . . 0.0 112.274 -172.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -151.53 159.46 44.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.13 121.28 15.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.343 1.057 . . . . 0.0 110.539 174.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -71.32 -35.56 71.29 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 120.92 -1.113 . . . . 0.0 113.98 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.3 -43.24 61.31 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 118.706 0.685 . . . . 0.0 110.613 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -63.94 -34.24 77.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 121.114 -0.991 . . . . 0.0 112.514 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 49.7 m -71.11 -0.99 10.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 171.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 42.9 ttp85 -106.91 -29.61 9.37 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.995 1.318 . . . . 0.0 112.587 168.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -70.39 -31.69 69.03 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 119.033 0.833 . . . . 0.0 112.988 168.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -126.68 151.44 48.09 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.988 1.715 . . . . 0.0 111.998 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 126.965 2.106 . . . . 0.0 111.442 170.269 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 p -69.68 109.18 4.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 117.936 0.868 . . . . 0.0 110.144 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -148.44 135.0 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.613 -0.68 . . . . 0.0 111.66 -153.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.97 14.69 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -166.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.84 112.56 14.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.281 1.832 . . . . 0.0 109.503 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.85 150.88 36.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.185 0.994 . . . . 0.0 113.144 -168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -114.36 134.72 54.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 126.005 1.722 . . . . 0.0 109.59 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -75.03 108.53 7.83 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 163.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.0 -9.97 49.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.144 -0.972 . . . . 0.0 113.613 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -110.68 -20.73 12.41 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -170.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.25 36.95 6.84 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-O 119.286 -0.73 . . . . 0.0 114.118 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.9 p30 -145.36 26.63 1.3 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.113 1.365 . . . . 0.0 113.864 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 161.05 26.23 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 125.095 1.331 . . . . 0.0 114.299 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mt -74.77 132.83 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 124.268 1.027 . . . . 0.0 110.549 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -137.28 157.48 46.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.9 p -132.25 159.98 37.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.983 1.313 . . . . 0.0 113.57 -164.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.8 m -134.54 162.25 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 128.703 2.801 . . . . 0.0 110.623 -177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.19 154.41 19.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 121.058 -1.026 . . . . 0.0 112.242 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 p -130.18 167.52 18.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -173.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -68.41 -27.49 66.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.144 1.378 . . . . 0.0 114.088 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.5 -171.78 44.21 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 125.311 1.434 . . . . 0.0 112.676 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -146.23 139.98 26.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.581 1.153 . . . . 0.0 110.834 174.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.9 p -108.79 -15.42 14.4 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 129.658 3.183 . . . . 0.0 115.324 5.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.87 166.3 37.4 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 120.178 1.354 . . . . 0.0 115.199 176.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.288 59.7 p 54.97 18.56 2.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 129.43 3.092 . . . . 0.0 117.938 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.99 6.94 33.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 126.233 1.813 . . . . 0.0 115.018 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -79.55 135.09 36.52 Favored 'General case' 0 N--CA 1.444 -0.775 0 O-C-N 121.037 -1.039 . . . . 0.0 110.417 169.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -135.11 147.44 49.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.32 1.448 . . . . 0.0 112.797 -171.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -115.37 156.09 26.17 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.252 1.421 . . . . 0.0 113.774 -168.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.258 23.6 m120 56.19 27.13 11.17 Favored 'General case' 0 C--N 1.343 0.313 0 N-CA-C 117.483 2.401 . . . . 0.0 117.483 167.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -130.31 125.76 35.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.949 1.7 . . . . 0.0 110.14 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.68 132.33 53.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 123.016 0.526 . . . . 0.0 111.455 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.63 154.53 6.9 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.274 0.94 . . . . 0.0 113.646 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 tt -132.74 140.39 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 110.565 172.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -126.35 142.65 51.45 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.587 1.555 . . . . 0.0 111.249 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.8 p -139.11 5.41 2.31 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 125.214 1.406 . . . . 0.0 114.596 -171.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.28 63.27 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -174.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 p -121.4 153.31 38.0 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 125.962 1.705 . . . . 0.0 111.714 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.41 159.13 25.68 Favored Glycine 0 C--N 1.337 0.63 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 -171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -152.58 171.99 17.29 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.96 2.104 . . . . 0.0 110.311 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 m -75.29 147.06 8.54 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 O-C-N 120.112 -1.617 . . . . 0.0 112.8 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -61.87 154.13 27.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.091 0.957 . . . . 0.0 112.102 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -10.92 45.71 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 120.68 -1.263 . . . . 0.0 113.303 173.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.3 -21.83 64.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.444 1.497 . . . . 0.0 113.255 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -128.08 -172.24 2.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 129.406 3.082 . . . . 0.0 112.411 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.79 168.28 37.57 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 120.187 -1.57 . . . . 0.0 114.935 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.46 145.29 30.49 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.725 1.61 . . . . 0.0 112.608 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -82.42 128.74 34.54 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.865 0.866 . . . . 0.0 111.309 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.81 160.41 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 125.12 1.368 . . . . 0.0 113.931 -168.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -153.96 138.81 17.13 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.133 2.173 . . . . 0.0 111.194 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -78.7 128.25 33.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 122.007 -0.433 . . . . 0.0 111.577 174.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.77 -4.52 20.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -129.45 24.56 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.7 24.55 74.09 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 124.395 0.998 . . . . 0.0 115.465 169.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.31 -12.21 14.46 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 125.456 1.502 . . . . 0.0 113.676 -175.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.28 13.13 81.64 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 126.453 1.978 . . . . 0.0 117.173 174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.1 mm -125.55 141.78 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 126.238 1.815 . . . . 0.0 108.833 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.81 108.21 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 124.93 1.292 . . . . 0.0 108.004 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -140.63 -8.1 1.1 Allowed 'General case' 0 N--CA 1.442 -0.825 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -119.66 150.08 40.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.766 1.226 . . . . 0.0 111.934 174.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.14 -27.95 60.71 Favored Glycine 0 N--CA 1.44 -1.046 0 C-N-CA 124.554 1.073 . . . . 0.0 115.769 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.44 -16.3 62.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -81.4 -16.12 53.12 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.083 1.353 . . . . 0.0 112.848 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.7 mt -68.85 146.67 52.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.245 -0.909 . . . . 0.0 111.363 160.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -70.34 127.2 31.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 154.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.41 -179.48 38.5 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.671 1.605 . . . . 0.0 110.649 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.16 1.35 7.68 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.431 1.616 . . . . 0.0 115.266 -174.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.22 3.7 35.9 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.02 1.728 . . . . 0.0 112.541 168.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 t -74.62 149.97 39.81 Favored 'General case' 0 N--CA 1.443 -0.778 0 O-C-N 120.315 -1.49 . . . . 0.0 112.617 -177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -102.0 130.29 48.5 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.729 1.211 . . . . 0.0 111.268 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.18 176.22 6.08 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.373 2.269 . . . . 0.0 111.738 170.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.75 -22.1 65.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -169.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -94.75 -4.24 47.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.435 1.494 . . . . 0.0 113.76 175.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.91 -0.31 72.8 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 125.228 1.394 . . . . 0.0 115.394 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.0 p -73.57 149.74 41.94 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 119.507 1.654 . . . . 0.0 111.769 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.58 131.49 34.38 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 120.615 -1.303 . . . . 0.0 111.053 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.22 151.06 48.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.88 -0.512 . . . . 0.0 111.144 170.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.98 -32.22 71.64 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.693 -0.629 . . . . 0.0 111.898 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.9 126.67 27.37 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.676 1.591 . . . . 0.0 112.387 -171.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.34 -33.45 65.72 Favored Glycine 0 C--N 1.334 0.45 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -36.22 64.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 118.718 1.259 . . . . 0.0 112.059 176.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.1 75.14 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.174 -0.954 . . . . 0.0 112.747 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.16 -32.14 73.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -71.32 -38.93 71.68 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 118.843 0.747 . . . . 0.0 111.733 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.31 -25.41 68.03 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -71.85 -3.29 21.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.3 mt -97.87 0.43 46.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.466 1.506 . . . . 0.0 114.924 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -78.08 122.72 25.97 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 118.787 0.721 . . . . 0.0 111.484 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -83.45 -37.41 23.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -109.32 -16.68 13.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.707 1.603 . . . . 0.0 115.311 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.22 27.54 27.76 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.96 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -84.04 -2.54 56.87 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.35 1.575 . . . . 0.0 113.015 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 t30 65.68 24.54 11.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.339 1.856 . . . . 0.0 114.933 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.3 pt -133.52 155.34 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 125.522 1.529 . . . . 0.0 112.148 167.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.49 112.31 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 124.959 1.304 . . . . 0.0 108.503 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -141.65 172.84 12.14 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.572 1.949 . . . . 0.0 111.729 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.92 -15.55 22.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 116.987 2.217 . . . . 0.0 116.987 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.66 -16.21 45.95 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 124.685 1.194 . . . . 0.0 114.127 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -77.58 132.21 38.2 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.596 1.158 . . . . 0.0 110.784 168.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.32 -33.88 76.48 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.654 -1.279 . . . . 0.0 113.923 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.11 66.49 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.38 -34.44 61.24 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.508 1.123 . . . . 0.0 113.064 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.81 -30.78 71.07 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 125.332 1.453 . . . . 0.0 113.569 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -92.46 -14.35 28.62 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.824 1.649 . . . . 0.0 113.612 -173.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.29 143.99 57.48 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 111.541 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.7 168.47 19.22 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.928 1.691 . . . . 0.0 109.677 166.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.7 t -118.63 135.2 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 C-N-CA 124.771 1.228 . . . . 0.0 109.426 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -109.09 124.59 51.03 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.32 1.048 . . . . 0.0 111.663 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -123.85 99.55 6.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.914 1.286 . . . . 0.0 110.427 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -93.66 129.0 40.12 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.722 0.809 . . . . 0.0 112.418 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.5 mt -88.68 -22.9 23.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.462 1.505 . . . . 0.0 114.984 -177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -114.27 -8.29 12.92 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.353 1.461 . . . . 0.0 114.692 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 54.53 36.09 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.837 2.055 . . . . 0.0 114.467 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -85.72 5.64 31.3 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -173.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.95 5.86 88.92 Favored Glycine 0 N--CA 1.445 -0.743 0 O-C-N 120.608 -1.307 . . . . 0.0 115.754 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.4 tt -135.24 147.16 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 119.788 1.794 . . . . 0.0 111.156 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.0 p -107.88 162.03 14.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.519 1.128 . . . . 0.0 113.664 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.71 168.72 19.1 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.906 2.082 . . . . 0.0 109.487 175.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.47 67.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -71.19 -21.15 62.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -95.12 -17.85 21.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.358 1.063 . . . . 0.0 113.191 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -101.36 123.33 45.27 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.297 1.439 . . . . 0.0 110.706 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -125.63 152.94 44.51 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.569 1.547 . . . . 0.0 112.493 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.1 p -82.17 159.05 23.39 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 124.625 1.17 . . . . 0.0 112.57 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.37 -33.71 76.49 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.247 -0.908 . . . . 0.0 111.058 168.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.57 -46.91 88.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.84 1.256 . . . . 0.0 113.418 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -77.48 -17.27 58.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 119.423 1.01 . . . . 0.0 113.331 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.4 mt -84.46 -4.51 58.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.88 1.272 . . . . 0.0 112.779 165.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.54 75.87 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 125.368 1.461 . . . . 0.0 115.06 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.81 127.78 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 119.109 1.455 . . . . 0.0 109.972 -173.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.95 -36.27 9.44 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 125.577 1.551 . . . . 0.0 112.686 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.9 p -157.56 162.55 38.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.8 mt -112.79 139.25 48.57 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.828 1.651 . . . . 0.0 110.338 168.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.75 153.37 40.04 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 118.809 0.731 . . . . 0.0 112.794 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.6 mt -105.62 -8.11 18.14 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.17 134.14 35.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.253 0.621 . . . . 0.0 111.506 169.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -150.32 161.82 41.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 111.788 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -137.33 148.22 46.15 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.422 1.489 . . . . 0.0 112.091 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.06 132.3 52.42 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.887 1.275 . . . . 0.0 111.906 171.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.2 m -137.66 -25.1 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.23 1.412 . . . . 0.0 114.128 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 m120 47.14 43.03 13.95 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.492 1.917 . . . . 0.0 115.308 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -83.34 133.44 34.95 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.628 1.971 . . . . 0.0 112.281 -173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -76.32 132.46 39.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.572 0.749 . . . . 0.0 111.244 167.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -106.54 -1.72 22.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.5 1.52 . . . . 0.0 113.705 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 86.87 163.27 38.54 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 126.571 2.034 . . . . 0.0 114.657 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.6 t30 57.35 17.24 3.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 126.067 1.747 . . . . 0.0 115.583 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.63 4.29 57.09 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 126.348 1.928 . . . . 0.0 115.739 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -93.97 146.83 23.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.907 1.353 . . . . 0.0 111.599 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 85.4 m -140.73 140.58 34.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.7 1.2 . . . . 0.0 111.277 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 13.8 tp -106.97 111.11 23.46 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.771 2.028 . . . . 0.0 109.339 167.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.2 -53.8 6.06 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.11 139.66 41.39 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.137 1.375 . . . . 0.0 110.626 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -131.37 138.01 48.96 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.774 1.229 . . . . 0.0 111.997 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.5 -148.54 6.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 128.656 3.027 . . . . 0.0 111.912 168.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.3 t -147.29 162.59 38.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.405 1.082 . . . . 0.0 113.496 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -130.3 158.83 38.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.655 1.582 . . . . 0.0 111.89 165.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.3 m -120.95 137.93 54.38 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.631 1.572 . . . . 0.0 111.623 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -102.89 162.55 12.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.838 1.655 . . . . 0.0 114.449 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.4 p -60.28 -34.8 74.26 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.523 1.929 . . . . 0.0 113.556 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 -77.97 2.68 16.81 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.64 -5.04 82.44 Favored Glycine 0 CA--C 1.525 0.666 0 C-N-CA 126.115 1.817 . . . . 0.0 115.596 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 62.4 p -76.42 154.63 34.66 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 119.553 1.677 . . . . 0.0 112.982 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 32.2 p -128.35 151.57 49.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.0 1.72 . . . . 0.0 111.47 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -151.69 160.88 43.44 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.392 1.077 . . . . 0.0 111.255 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -75.14 151.95 38.52 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.8 ptm -143.93 155.93 44.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.77 1.628 . . . . 0.0 110.951 166.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -172.82 166.02 38.53 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 118.559 2.184 . . . . 0.0 118.559 -172.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -76.83 113.71 14.8 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.239 2.215 . . . . 0.0 110.931 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mp -108.24 129.77 55.19 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.171 1.388 . . . . 0.0 111.738 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.61 111.21 23.38 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.287 1.435 . . . . 0.0 107.636 167.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.03 150.36 33.86 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.838 0.855 . . . . 0.0 111.839 -173.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.69 131.24 50.32 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.299 0.64 . . . . 0.0 110.612 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -130.85 153.34 49.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 126.818 2.047 . . . . 0.0 110.81 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -71.34 151.41 44.17 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.99 -1.069 . . . . 0.0 113.402 -170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 53.87 34.04 18.46 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.464 1.905 . . . . 0.0 114.951 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.16 -37.14 1.48 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.544 1.537 . . . . 0.0 113.199 -172.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -87.19 -22.05 25.52 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 120.497 -1.377 . . . . 0.0 112.316 170.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 76.7 p -58.58 -22.12 55.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.069 1.348 . . . . 0.0 113.406 165.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -68.45 -9.92 51.9 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 125.079 1.351 . . . . 0.0 113.972 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -123.19 44.65 2.62 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.868 2.067 . . . . 0.0 111.706 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.98 -28.14 5.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.083 1.353 . . . . 0.0 114.398 -169.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.704 1.602 . . . . 0.0 113.854 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.242 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.0 p -152.0 153.63 34.43 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.035 0.934 . . . . 0.0 112.722 -176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.92 137.59 38.17 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.685 1.594 . . . . 0.0 110.347 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.99 166.05 28.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.33 133.31 53.74 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.291 1.437 . . . . 0.0 111.304 162.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.0 147.24 49.59 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 125.605 1.562 . . . . 0.0 112.747 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp -117.88 140.31 49.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.066 1.746 . . . . 0.0 110.106 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -97.51 115.05 27.08 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.27 -17.2 63.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -173.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -112.89 -2.81 14.24 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.641 1.976 . . . . 0.0 114.4 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.52 12.52 73.56 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 126.773 2.13 . . . . 0.0 117.0 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -76.66 -32.11 57.74 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 120.06 1.93 . . . . 0.0 114.135 -168.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.52 131.05 2.46 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 126.229 1.871 . . . . 0.0 110.614 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -69.91 131.29 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 O-C-N 120.869 -1.371 . . . . 0.0 110.435 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.83 150.43 39.85 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.301 1.84 . . . . 0.0 113.65 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -138.99 160.54 39.54 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.287 1.435 . . . . 0.0 114.153 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.26 170.06 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 127.763 2.425 . . . . 0.0 111.569 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.39 163.86 26.02 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.93 0.492 . . . . 0.0 110.982 155.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.5 p -82.67 140.99 32.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.26 -1.525 . . . . 0.0 114.013 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 57.28 167.3 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 128.538 2.735 . . . . 0.0 115.486 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.44 17.2 79.78 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 116.997 1.559 . . . . 0.0 116.997 169.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -127.61 -28.94 2.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 118.985 1.392 . . . . 0.0 113.865 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.9 p -116.81 -3.11 11.72 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.485 1.914 . . . . 0.0 113.633 167.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.74 157.87 10.33 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 126.057 1.789 . . . . 0.0 112.305 175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.1 m -113.94 16.06 18.38 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.308 1.043 . . . . 0.0 113.787 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.6 tp -53.22 127.83 25.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.243 1.017 . . . . 0.0 110.476 169.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 52.57 23.62 2.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -87.5 128.35 35.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.191 -1.568 . . . . 0.0 110.194 170.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -11.07 27.36 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.019 1.727 . . . . 0.0 114.466 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.3 m120 49.81 32.91 5.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.034 1.734 . . . . 0.0 115.213 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.13 -13.73 60.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.054 -1.029 . . . . 0.0 113.543 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -136.3 131.46 34.41 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 126.778 2.031 . . . . 0.0 112.606 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.41 -18.35 57.24 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 125.222 1.392 . . . . 0.0 114.936 171.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 mm -89.24 -49.12 14.26 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-N 119.388 1.594 . . . . 0.0 112.137 -172.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . 0.267 69.4 mtt180 61.49 7.12 1.68 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 128.353 2.661 . . . . 0.0 118.068 173.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 p -68.83 -1.49 7.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.49 -3.5 53.24 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 125.927 1.691 . . . . 0.0 114.315 165.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.5 p -134.73 155.48 50.5 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.992 1.717 . . . . 0.0 111.291 -175.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.7 149.84 17.66 Favored Glycine 0 N--CA 1.441 -1.013 0 O-C-N 121.242 -0.911 . . . . 0.0 114.571 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.5 t-105 -152.45 171.89 17.37 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.663 1.585 . . . . 0.0 112.255 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -78.58 146.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 124.099 0.96 . . . . 0.0 112.018 169.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 m -65.4 157.6 28.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 121.729 -0.607 . . . . 0.0 112.355 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.19 -32.65 56.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.274 1.429 . . . . 0.0 114.156 -176.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.37 -25.57 68.09 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.865 2.466 . . . . 0.0 114.823 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -120.57 177.1 5.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.246 2.218 . . . . 0.0 111.852 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.96 170.57 34.3 Favored Glycine 0 C--N 1.344 1.025 0 O-C-N 120.218 -1.551 . . . . 0.0 116.151 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.0 mt -106.38 150.18 26.26 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.428 1.491 . . . . 0.0 113.072 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -89.32 117.93 28.63 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.917 1.287 . . . . 0.0 112.4 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.54 150.09 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 125.585 1.554 . . . . 0.0 112.945 -166.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.84 142.86 23.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.483 1.113 . . . . 0.0 111.642 169.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -78.82 114.03 17.41 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.529 0.681 . . . . 0.0 111.36 -175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -77.01 1.95 16.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.144 0.978 . . . . 0.0 112.235 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -108.52 -5.04 16.73 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.74 1.616 . . . . 0.0 113.987 168.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.25 23.35 71.36 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 118.204 2.042 . . . . 0.0 118.204 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -109.32 0.44 19.53 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 119.744 1.772 . . . . 0.0 112.964 170.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.14 7.7 88.29 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 125.444 1.497 . . . . 0.0 115.129 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.3 mt -100.93 121.62 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.204 1.402 . . . . 0.0 110.292 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.6 mm -99.63 125.47 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.896 1.278 . . . . 0.0 109.634 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -155.0 -20.93 0.12 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -104.11 146.11 29.22 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.309 1.044 . . . . 0.0 111.516 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.66 -33.31 81.79 Favored Glycine 0 CA--C 1.525 0.706 0 O-C-N 121.211 -0.931 . . . . 0.0 114.42 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.71 -9.38 58.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.9 -21.15 51.67 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.977 1.311 . . . . 0.0 112.493 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.9 tp -79.21 135.02 36.67 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.176 2.19 . . . . 0.0 110.995 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -71.62 134.0 46.09 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.943 -0.473 . . . . 0.0 111.68 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.42 175.78 37.0 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 126.418 1.961 . . . . 0.0 110.125 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.29 -6.62 24.97 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -173.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -119.23 25.33 10.21 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.236 1.414 . . . . 0.0 112.805 170.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -71.58 160.71 32.21 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 121.104 -0.997 . . . . 0.0 111.842 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HE3' ' CZ ' ' A' ' 73' ' ' PHE . 85.4 mttt -96.26 150.37 20.63 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 124.199 0.999 . . . . 0.0 111.705 168.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.7 172.11 12.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.884 2.074 . . . . 0.0 110.564 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -31.62 59.64 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.42 -10.02 58.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.96 -4.07 58.9 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 115.91 1.124 . . . . 0.0 115.91 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.59 143.51 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 120.446 2.123 . . . . 0.0 111.832 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' HE3' ' A' ' 67' ' ' LYS . 72.6 m-85 -72.91 145.68 46.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.17 0.588 . . . . 0.0 111.738 171.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.34 11.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 125.091 1.356 . . . . 0.0 114.537 -175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.89 -44.12 14.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.933 1.693 . . . . 0.0 113.081 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -140.47 148.15 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.27 1.828 . . . . 0.0 111.558 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.33 -44.46 96.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 123.748 0.689 . . . . 0.0 113.895 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -68.66 -31.44 70.57 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 176.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.3 62.99 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 119.478 1.035 . . . . 0.0 112.804 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.18 -37.57 63.9 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 123.988 0.915 . . . . 0.0 112.546 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.47 -33.75 76.39 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.198 0.999 . . . . 0.0 112.794 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -17.27 60.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.35 -22.61 65.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.749 -1.219 . . . . 0.0 113.542 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.43 -12.85 60.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -171.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -72.43 124.83 25.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.271 0.941 . . . . 0.0 112.281 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -91.52 -35.47 14.28 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -111.15 -7.84 14.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.928 1.691 . . . . 0.0 114.402 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.55 24.12 59.21 Favored Glycine 0 C--N 1.342 0.897 0 O-C-N 121.07 -1.018 . . . . 0.0 114.739 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -80.94 -3.37 51.3 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.693 1.246 . . . . 0.0 113.114 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 66.59 22.26 10.56 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 126.88 2.072 . . . . 0.0 114.411 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.3 pt -130.2 143.71 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.85 1.26 . . . . 0.0 111.141 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -96.94 107.83 20.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -138.76 171.94 13.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.933 0.893 . . . . 0.0 112.971 -167.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.65 -20.21 13.24 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -170.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.71 -12.95 49.9 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.62 133.97 39.46 Favored 'General case' 0 C--O 1.226 -0.179 0 O-C-N 121.119 -0.988 . . . . 0.0 110.619 166.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.13 73.02 Favored 'General case' 0 N--CA 1.442 -0.829 0 O-C-N 120.402 -1.436 . . . . 0.0 113.908 -169.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -17.18 64.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.736 1.214 . . . . 0.0 114.205 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -66.37 -30.39 70.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 120.212 1.369 . . . . 0.0 112.781 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -73.03 -15.64 61.51 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 p -106.31 -2.02 22.76 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.877 1.271 . . . . 0.0 113.757 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.4 tp -83.86 129.98 34.93 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.212 1.405 . . . . 0.0 110.853 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -132.86 163.84 28.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.648 1.579 . . . . 0.0 112.53 -169.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.6 t -123.4 136.91 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.767 1.627 . . . . 0.0 109.541 175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -107.0 116.95 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.066 1.746 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -114.18 101.04 8.83 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 125.396 1.478 . . . . 0.0 109.172 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.14 137.24 56.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.291 1.037 . . . . 0.0 111.449 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.4 mt -80.62 -29.99 36.8 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.01 -12.76 14.18 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.159 1.383 . . . . 0.0 113.783 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 57.54 52.67 8.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.842 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -98.96 -16.22 18.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.047 0.939 . . . . 0.0 113.165 169.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.22 22.71 77.33 Favored Glycine 0 N--CA 1.444 -0.77 0 O-C-N 121.486 -0.759 . . . . 0.0 113.144 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.6 mm -110.1 123.38 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 170.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -89.7 141.78 28.29 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -167.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -137.32 146.15 44.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 125.772 1.629 . . . . 0.0 110.387 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.55 66.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -63.99 -16.61 61.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -90.56 -1.02 57.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 125.484 1.514 . . . . 0.0 113.961 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.0 mt -96.3 154.27 17.35 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 126.011 1.725 . . . . 0.0 112.811 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.71 151.9 32.04 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.426 1.49 . . . . 0.0 111.892 167.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.0 p -83.42 153.52 24.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.831 0.853 . . . . 0.0 112.655 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.32 -38.79 88.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.581 -0.699 . . . . 0.0 112.566 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.54 -34.24 72.05 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 121.351 -0.843 . . . . 0.0 112.243 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -72.83 -29.69 63.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.389 -0.819 . . . . 0.0 112.713 172.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.79 -8.58 57.2 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.052 1.741 . . . . 0.0 113.727 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.37 19.95 77.62 Favored Glycine 0 C--N 1.334 0.438 0 CA-C-N 119.602 1.092 . . . . 0.0 115.088 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 69.2 mt -88.85 129.3 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.849 1.66 . . . . 0.0 108.75 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -106.97 -38.93 5.9 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.052 0.941 . . . . 0.0 113.381 -171.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 p -154.25 148.62 26.08 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.6 mt -109.36 133.87 52.52 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.633 1.973 . . . . 0.0 109.815 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.95 136.88 33.42 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.293 0.637 . . . . 0.0 111.354 173.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.14 -16.06 48.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.802 1.241 . . . . 0.0 113.894 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.92 145.86 33.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 119.586 1.085 . . . . 0.0 112.816 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.9 160.79 38.34 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.917 1.687 . . . . 0.0 112.933 -176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -133.04 145.23 50.62 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.578 1.951 . . . . 0.0 109.494 169.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . 0.276 3.0 p30 -79.83 151.3 30.34 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.155 0.979 . . . . 0.0 112.947 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.75 -31.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.931 1.692 . . . . 0.0 112.825 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.1 m120 48.31 59.71 4.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.288 172.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -114.08 140.52 48.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.762 1.625 . . . . 0.0 112.516 -173.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.9 141.3 32.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.348 1.059 . . . . 0.0 111.006 165.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 57.4 mt -110.51 8.22 22.93 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 125.645 1.578 . . . . 0.0 113.672 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.0 164.64 30.08 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 125.371 1.463 . . . . 0.0 113.022 -164.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.5 10.68 1.02 Allowed 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.909 1.684 . . . . 0.0 114.95 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.16 13.49 73.15 Favored Glycine 0 N--CA 1.442 -0.943 0 O-C-N 119.865 -1.772 . . . . 0.0 114.966 -171.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -77.87 144.07 37.26 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 119.333 1.566 . . . . 0.0 110.018 165.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.1 m -140.27 137.93 34.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -162.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 34.1 tp -107.11 113.63 27.2 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 126.904 2.082 . . . . 0.0 110.198 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.71 -52.7 5.88 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 124.208 1.003 . . . . 0.0 112.419 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -128.19 153.33 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 126.202 1.801 . . . . 0.0 111.039 -174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -130.96 147.09 52.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 0.0 111.448 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.52 -170.63 16.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 127.297 2.379 . . . . 0.0 112.06 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -142.2 143.73 33.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -169.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 17.8 p90 -124.28 160.05 28.85 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.825 1.25 . . . . 0.0 111.726 168.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 88.7 m -119.62 139.69 51.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.519 1.528 . . . . 0.0 111.296 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -100.33 162.43 12.96 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 112.896 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 28.1 p -62.76 -25.72 68.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -80.99 9.97 5.79 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 172.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.74 -11.53 59.21 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 125.811 1.672 . . . . 0.0 115.6 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.6 p -78.24 162.64 26.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 118.959 1.38 . . . . 0.0 112.674 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 55.7 p -114.5 161.27 18.23 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -155.14 163.06 40.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.56 1.144 . . . . 0.0 112.433 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -82.16 143.67 31.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.712 1.605 . . . . 0.0 113.555 -170.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.5 ptm -135.12 164.81 26.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.042 1.337 . . . . 0.0 110.102 162.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.71 171.38 39.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -112.72 113.4 25.49 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.243 1.817 . . . . 0.0 110.441 -172.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.85 147.09 35.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.078 1.351 . . . . 0.0 113.537 -170.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 41.9 tp -115.65 116.73 28.6 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.962 1.305 . . . . 0.0 109.204 159.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 97.7 mt -92.1 139.23 30.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.507 1.523 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.58 139.66 58.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.483 1.113 . . . . 0.0 112.382 -173.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -138.91 167.8 21.22 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 129.906 3.282 . . . . 0.0 112.993 2.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -69.2 141.04 54.6 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.694 1.598 . . . . 0.0 113.56 -173.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 55.01 3.36 0.06 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 128.071 2.548 . . . . 0.0 116.128 -170.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 33.8 mt -100.33 167.0 10.69 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.178 1.391 . . . . 0.0 111.997 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -106.89 175.95 5.33 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.988 2.115 . . . . 0.0 112.072 -172.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 48.1 p -71.85 -17.27 62.14 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 168.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -95.16 138.16 33.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.996 2.119 . . . . 0.0 111.664 173.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -144.49 126.6 15.58 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.462 1.105 . . . . 0.0 110.271 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.6 mt 55.42 13.53 0.94 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.953 2.101 . . . . 0.0 116.285 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 126.881 2.072 . . . . 0.0 111.848 175.704 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 14.8 m -78.46 -4.37 48.08 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -167.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -128.14 146.1 50.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.414 1.006 . . . . 0.0 112.793 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -158.81 168.65 26.27 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.527 1.531 . . . . 0.0 112.807 -174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.5 mt -84.67 134.84 34.35 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 124.071 0.948 . . . . 0.0 112.729 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.01 160.69 31.15 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.386 1.874 . . . . 0.0 113.062 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -131.9 143.4 50.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.54 1.936 . . . . 0.0 111.217 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -86.75 120.75 28.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.438 1.095 . . . . 0.0 111.426 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -88.74 -13.72 38.89 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.546 1.138 . . . . 0.0 113.696 -178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -111.15 -17.71 13.16 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.708 1.203 . . . . 0.0 113.617 -172.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.37 36.46 49.9 Favored Glycine 0 C--O 1.219 -0.787 0 C-N-CA 123.705 0.669 . . . . 0.0 113.819 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -124.11 -13.95 7.16 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 125.622 1.569 . . . . 0.0 113.172 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 150.55 6.46 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 126.551 2.024 . . . . 0.0 112.337 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.96 132.84 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.166 1.386 . . . . 0.0 109.614 174.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -138.34 149.86 46.03 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.874 1.67 . . . . 0.0 112.796 -168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -143.07 163.09 33.77 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.171 1.788 . . . . 0.0 113.45 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -143.81 174.72 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 128.334 2.654 . . . . 0.0 110.663 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.61 155.39 20.46 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 121.04 -1.037 . . . . 0.0 111.565 156.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.6 p -79.58 162.53 25.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.028 1.331 . . . . 0.0 113.516 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -95.43 158.05 15.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.454 1.502 . . . . 0.0 113.33 170.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.7 174.64 18.07 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 126.017 1.77 . . . . 0.0 114.075 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -108.05 -15.84 14.42 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.965 1.706 . . . . 0.0 112.8 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.1 p -143.45 168.59 19.47 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.313 2.245 . . . . 0.0 111.109 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.46 -89.76 0.09 OUTLIER Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.727 1.632 . . . . 0.0 113.995 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -64.16 -15.58 60.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.727 1.611 . . . . 0.0 113.792 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -97.28 126.79 42.72 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.635 1.574 . . . . 0.0 108.152 160.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -126.02 -53.32 1.52 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.6 t0 51.1 28.97 4.31 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 173.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -54.89 -37.47 66.35 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 120.247 -1.533 . . . . 0.0 114.288 -165.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -99.68 5.0 45.85 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.565 1.146 . . . . 0.0 113.582 -168.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.7 mmt-85 54.86 31.67 16.21 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.089 1.756 . . . . 0.0 113.82 177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.9 p30 -94.08 -10.53 33.07 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -167.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.75 11.78 60.9 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.804 1.669 . . . . 0.0 115.42 -173.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.31 -52.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 125.818 1.647 . . . . 0.0 111.483 -171.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -98.92 73.33 1.96 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.212 1.405 . . . . 0.0 108.648 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.1 m -104.46 -47.68 4.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.348 1.059 . . . . 0.0 112.396 -162.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.8 154.87 50.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.425 1.49 . . . . 0.0 112.725 -169.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 p -71.13 162.27 29.71 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 123.906 0.882 . . . . 0.0 112.271 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.75 148.51 18.85 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 124.796 1.189 . . . . 0.0 113.155 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -148.59 167.37 25.62 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 117.75 0.775 . . . . 0.0 112.018 173.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.85 151.07 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 C-N-CA 123.922 0.889 . . . . 0.0 112.069 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t -63.03 158.74 18.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.441 1.096 . . . . 0.0 111.028 169.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.41 -9.95 29.58 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 120.349 -1.47 . . . . 0.0 113.295 170.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.87 3.17 35.0 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 129.338 3.055 . . . . 0.0 113.88 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.34 178.54 8.68 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 130.241 3.416 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.62 163.52 32.63 Favored Glycine 0 N--CA 1.438 -1.223 0 O-C-N 119.848 -1.782 . . . . 0.0 115.407 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 134.97 52.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.036 1.734 . . . . 0.0 110.465 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -81.95 122.99 28.47 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.699 1.199 . . . . 0.0 112.233 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.7 m -145.46 165.76 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.144 1.378 . . . . 0.0 113.452 -168.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -147.36 138.27 23.6 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.772 2.029 . . . . 0.0 111.563 169.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -82.93 120.66 25.98 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 121.743 -0.598 . . . . 0.0 110.556 174.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -99.73 0.48 41.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.209 1.803 . . . . 0.0 113.999 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -140.49 9.11 2.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.4 8.43 87.06 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 168.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -80.72 -0.85 40.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.643 1.221 . . . . 0.0 114.246 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.91 0.17 89.16 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 117.716 -1.602 . . . . 0.0 115.374 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 pt -131.82 161.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 126.371 1.869 . . . . 0.0 112.89 -175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.2 mm -100.82 109.67 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 126.265 1.826 . . . . 0.0 109.32 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -136.08 -5.11 2.13 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -135.45 145.99 47.76 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.617 1.099 . . . . 0.0 111.741 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.36 -19.04 45.55 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.78 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.79 1.295 . . . . 0.0 114.019 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -85.87 -7.25 58.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.623 1.569 . . . . 0.0 114.618 -173.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -91.97 152.06 20.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.776 1.23 . . . . 0.0 110.172 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -89.03 128.4 35.72 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.714 -0.616 . . . . 0.0 111.57 167.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 177.71 -153.68 13.8 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.212 0.911 . . . . 0.0 112.157 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.83 -27.08 62.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.491 1.116 . . . . 0.0 111.538 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.4 7.51 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.574 -1.329 . . . . 0.0 113.357 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -73.47 129.35 37.8 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.866 0.866 . . . . 0.0 110.628 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -86.86 134.68 33.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.165 0.986 . . . . 0.0 111.196 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.3 mt -98.62 172.93 7.17 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 126.222 1.809 . . . . 0.0 114.37 -172.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.53 -17.81 56.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -97.62 7.11 47.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.827 1.251 . . . . 0.0 113.241 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.04 -5.77 74.59 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 126.062 1.791 . . . . 0.0 115.287 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.6 p -76.17 154.7 35.18 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 120.211 2.006 . . . . 0.0 113.384 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -81.77 141.93 33.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.114 -0.991 . . . . 0.0 110.852 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.67 154.37 41.43 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 122.848 1.309 . . . . 0.0 114.363 -168.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -60.75 -40.13 91.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.589 -1.32 . . . . 0.0 110.79 163.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -171.01 168.3 6.99 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 128.695 2.798 . . . . 0.0 109.945 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.42 -24.47 65.78 Favored Glycine 0 C--N 1.337 0.618 0 O-C-N 120.876 -1.14 . . . . 0.0 113.941 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.81 -27.55 65.97 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 119.609 1.704 . . . . 0.0 112.424 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.77 -27.87 58.22 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.442 -1.411 . . . . 0.0 113.126 172.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.42 -44.8 34.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.641 0.776 . . . . 0.0 112.5 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.96 -34.36 77.94 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.49 78.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -82.91 -14.53 54.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.8 mt -80.48 -21.9 41.54 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.198 -0.939 . . . . 0.0 112.437 175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.55 119.66 8.48 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.625 1.17 . . . . 0.0 111.486 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.0 m -72.21 -19.98 61.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.589 1.155 . . . . 0.0 113.947 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -104.65 -16.25 15.04 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.354 1.462 . . . . 0.0 113.183 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.91 42.49 37.63 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.012 1.291 . . . . 0.0 115.289 168.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -116.39 12.89 15.38 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.14 1.376 . . . . 0.0 113.677 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 t30 58.71 24.57 12.36 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.854 2.461 . . . . 0.0 115.129 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.58 131.17 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.016 1.327 . . . . 0.0 108.187 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.0 mm -89.28 107.46 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -130.03 168.17 17.14 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.097 1.359 . . . . 0.0 111.859 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.54 13.98 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.88 -23.04 63.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.2 142.61 31.05 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.718 1.207 . . . . 0.0 112.898 -173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.0 90.97 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 120.817 -1.177 . . . . 0.0 113.898 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -23.97 66.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.411 1.084 . . . . 0.0 113.583 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -57.48 -29.24 64.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.923 0.889 . . . . 0.0 112.229 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -75.72 -31.12 59.5 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.271 1.428 . . . . 0.0 112.842 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 m -83.34 -30.42 27.49 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.772 1.229 . . . . 0.0 113.755 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.56 149.0 40.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.023 0.929 . . . . 0.0 113.053 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -134.65 156.73 48.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.763 1.625 . . . . 0.0 110.354 171.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.38 128.21 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 124.058 0.943 . . . . 0.0 108.809 170.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.31 116.36 28.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.204 1.002 . . . . 0.0 109.011 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -112.54 108.05 17.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.006 1.723 . . . . 0.0 108.831 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -107.02 116.28 31.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.905 0.882 . . . . 0.0 111.214 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.49 -12.34 60.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.033 0.933 . . . . 0.0 112.992 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -112.82 -16.76 12.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 46.8 65.19 1.28 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 126.468 1.907 . . . . 0.0 113.161 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -115.88 -8.57 11.92 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.599 1.56 . . . . 0.0 114.06 -171.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.98 10.95 84.12 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 125.225 1.393 . . . . 0.0 114.69 -173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.1 mt -118.9 125.84 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 CA-C-N 119.784 1.792 . . . . 0.0 108.523 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -82.3 137.92 34.7 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.52 0.728 . . . . 0.0 111.922 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.1 147.46 51.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.521 1.128 . . . . 0.0 110.379 165.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.76 76.22 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -62.26 -19.32 63.1 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -86.06 -7.61 58.5 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.776 1.63 . . . . 0.0 112.9 -176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.95 127.39 36.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.754 1.222 . . . . 0.0 110.902 177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -106.81 140.23 39.97 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.508 1.923 . . . . 0.0 109.892 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -72.13 159.12 34.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 161.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.32 -32.93 73.4 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.212 -0.93 . . . . 0.0 111.781 171.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.18 -34.49 63.79 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.35 -19.45 63.85 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.445 -2.034 . . . . 0.0 113.631 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.72 -2.14 58.42 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.619 1.568 . . . . 0.0 112.783 170.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.12 25.08 74.61 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.523 1.059 . . . . 0.0 114.753 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.7 mt -77.29 142.81 13.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 118.486 1.143 . . . . 0.0 109.559 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -111.0 -47.99 3.16 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.312 1.445 . . . . 0.0 112.537 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 p -155.55 143.41 19.82 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.6 mt -117.24 100.35 7.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.254 2.622 . . . . 0.0 109.431 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -79.99 119.5 22.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 123.749 0.82 . . . . 0.0 111.007 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.4 mt -80.59 2.7 24.55 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 114.733 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.45 41.47 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.442 1.019 . . . . 0.0 112.046 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -146.58 152.28 38.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -116.14 143.13 45.91 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.974 2.51 . . . . 0.0 110.49 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -68.26 129.47 40.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.715 1.206 . . . . 0.0 110.63 171.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.14 -28.67 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.2 m120 48.5 51.2 15.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.93 2.092 . . . . 0.0 115.707 166.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.35 140.32 31.18 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.79 1.636 . . . . 0.0 112.787 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -81.47 128.13 33.55 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.196 0.998 . . . . 0.0 108.879 162.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 37.4 mt -109.24 9.19 25.97 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 113.668 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 82.59 164.12 34.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 124.572 1.082 . . . . 0.0 113.638 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 53.33 29.38 8.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.06 1.744 . . . . 0.0 114.88 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.76 2.78 78.16 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 126.201 1.858 . . . . 0.0 115.28 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -95.15 144.15 26.01 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.977 1.311 . . . . 0.0 112.816 -175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -136.16 138.73 42.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.058 1.343 . . . . 0.0 111.753 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -106.6 104.7 14.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 125.658 1.583 . . . . 0.0 109.186 168.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.03 -47.47 11.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -133.09 134.64 44.55 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.395 1.478 . . . . 0.0 110.721 -168.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -137.24 136.23 37.92 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.963 1.305 . . . . 0.0 113.116 -170.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -120.82 -167.27 13.28 Favored Glycine 0 C--N 1.339 0.73 0 C-N-CA 127.221 2.344 . . . . 0.0 112.436 165.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.6 t -140.02 149.42 43.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 124.833 1.253 . . . . 0.0 111.896 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -130.15 165.92 21.31 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.517 1.527 . . . . 0.0 112.292 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 83.0 m -128.3 141.43 51.44 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.351 1.061 . . . . 0.0 112.087 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -101.75 159.97 14.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.594 1.958 . . . . 0.0 113.408 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 61.8 p -64.19 -27.97 69.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.106 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -77.98 -1.65 33.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.64 -6.67 74.26 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.693 1.616 . . . . 0.0 115.302 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 65.1 p -75.16 155.94 36.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.814 1.307 . . . . 0.0 112.114 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 64.2 p -135.07 152.28 51.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.003 1.321 . . . . 0.0 111.933 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.2 40.32 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.263 1.425 . . . . 0.0 111.434 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -77.65 156.51 30.7 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.0 ptm -139.47 157.91 45.03 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.533 1.933 . . . . 0.0 109.64 167.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.79 174.19 43.04 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 121.191 1.814 . . . . 0.0 117.493 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -85.07 108.69 17.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.23 1.812 . . . . 0.0 110.41 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.4 mt -96.45 127.77 42.76 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 125.287 1.435 . . . . 0.0 110.608 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.9 tp -89.81 111.0 21.89 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 158.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.07 149.74 20.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.963 0.905 . . . . 0.0 110.757 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.27 144.26 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.574 -0.704 . . . . 0.0 112.203 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -141.85 176.2 9.12 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.126 1.371 . . . . 0.0 111.17 -171.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.62 126.46 28.45 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.55 0.691 . . . . 0.0 111.493 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -116.41 146.64 42.36 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.172 1.789 . . . . 0.0 111.008 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 96.2 mt -120.07 125.97 49.6 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.855 1.662 . . . . 0.0 110.397 171.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -147.66 -20.0 0.37 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 7.6 t -157.07 157.56 34.82 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 120.642 1.564 . . . . 0.0 114.046 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -112.32 10.03 19.93 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.069 2.147 . . . . 0.0 112.604 167.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -135.55 157.7 46.23 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.841 2.056 . . . . 0.0 113.039 -169.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 62.3 mt 61.95 141.39 0.02 OUTLIER 'General case' 0 C--O 1.233 0.212 0 C-N-CA 127.721 2.408 . . . . 0.0 114.48 -167.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.724 2.01 . . . . 0.0 112.196 -172.271 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.1 m -115.31 3.69 14.28 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.033 1.333 . . . . 0.0 114.15 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.28 166.03 14.04 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.566 1.146 . . . . 0.0 112.604 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.87 163.88 34.67 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.609 1.164 . . . . 0.0 109.994 170.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.81 116.97 9.91 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.66 168.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.91 146.19 40.41 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.553 1.541 . . . . 0.0 110.837 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.22 133.02 55.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.706 1.602 . . . . 0.0 110.52 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -77.23 124.65 28.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 162.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.7 mt -81.92 -18.71 42.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.07 -22.12 11.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -166.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.88 43.09 18.65 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.925 0.784 . . . . 0.0 112.81 -163.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -138.48 7.0 2.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.203 1.801 . . . . 0.0 114.428 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.98 24.0 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 125.92 1.724 . . . . 0.0 114.572 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.66 122.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 C-N-CA 124.777 1.231 . . . . 0.0 109.351 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -104.48 144.45 31.66 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.925 1.29 . . . . 0.0 113.111 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 p -138.37 148.93 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.652 1.181 . . . . 0.0 112.275 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -145.74 164.62 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 C-N-CA 126.594 1.958 . . . . 0.0 111.817 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.62 113.68 15.11 Favored 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 125.639 1.576 . . . . 0.0 109.902 169.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.8 p -86.54 -4.87 59.24 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -167.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 51.07 50.1 19.79 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.051 1.34 . . . . 0.0 113.241 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.31 -58.34 5.0 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 125.067 1.318 . . . . 0.0 113.96 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -154.38 16.02 0.46 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -92.12 47.19 1.31 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.595 2.358 . . . . 0.0 113.055 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.29 131.44 52.05 Favored Glycine 0 N--CA 1.443 -0.86 0 O-C-N 121.309 -0.869 . . . . 0.0 112.87 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m 48.75 34.57 5.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.401 2.28 . . . . 0.0 114.632 -170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.03 -49.15 0.74 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.651 1.581 . . . . 0.0 110.879 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 57.99 -11.13 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 129.54 3.136 . . . . 0.0 119.444 167.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -81.42 -39.17 25.33 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 120.049 1.295 . . . . 0.0 113.757 -165.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -133.13 163.75 28.58 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.982 1.713 . . . . 0.0 112.816 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.44 147.59 39.79 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 124.536 1.135 . . . . 0.0 112.158 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -139.45 133.49 31.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.854 1.262 . . . . 0.0 112.716 -176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 57.69 175.92 0.05 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 128.201 2.601 . . . . 0.0 115.154 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.58 16.09 8.57 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 125.253 1.406 . . . . 0.0 116.234 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.5 mt -95.98 138.37 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 126.253 1.821 . . . . 0.0 109.598 -175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -98.57 136.39 38.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 123.775 0.83 . . . . 0.0 110.333 168.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.4 p -126.7 172.48 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.658 1.183 . . . . 0.0 112.313 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.72 150.03 48.05 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.549 0.739 . . . . 0.0 112.293 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.82 -19.66 58.77 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 125.157 1.383 . . . . 0.0 113.053 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.22 114.85 0.5 Allowed Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 126.546 2.022 . . . . 0.0 111.351 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -134.53 165.86 24.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.793 1.637 . . . . 0.0 111.539 -171.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.44 128.13 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 O-C-N 120.489 -1.382 . . . . 0.0 110.843 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -54.23 156.45 3.16 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.389 1.876 . . . . 0.0 113.523 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.48 2.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.762 1.225 . . . . 0.0 113.892 168.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -78.47 -20.7 50.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.572 1.549 . . . . 0.0 115.083 172.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -138.75 -177.84 5.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 127.045 2.138 . . . . 0.0 111.818 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.54 178.74 33.73 Favored Glycine 0 N--CA 1.443 -0.871 0 O-C-N 119.066 -2.271 . . . . 0.0 117.664 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.99 146.65 41.95 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.639 1.976 . . . . 0.0 113.245 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.43 124.37 29.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.632 1.173 . . . . 0.0 111.343 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.9 m -142.19 159.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.767 1.227 . . . . 0.0 113.384 -170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -156.74 116.43 3.49 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -70.72 119.72 15.27 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.395 1.078 . . . . 0.0 110.278 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.56 1.07 35.33 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 113.105 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -105.61 -6.26 19.41 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.37 1.468 . . . . 0.0 113.494 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.01 75.94 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 115.542 0.977 . . . . 0.0 115.542 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -105.74 -15.0 15.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.47 1.635 . . . . 0.0 113.098 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 26.97 18.33 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-O 117.508 -1.718 . . . . 0.0 114.708 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.4 mt -127.01 126.03 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 119.365 1.582 . . . . 0.0 110.743 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.5 mm -100.81 107.95 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 126.369 1.868 . . . . 0.0 109.506 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.02 -6.45 0.75 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -120.17 149.05 42.87 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.822 1.649 . . . . 0.0 110.519 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.79 -27.42 72.03 Favored Glycine 0 C--N 1.335 0.513 0 O-C-N 120.143 -1.598 . . . . 0.0 115.598 -168.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -7.78 48.75 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -90.21 -7.38 53.69 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 113.394 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.36 144.02 28.19 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.774 1.23 . . . . 0.0 109.334 164.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -74.04 106.08 5.56 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 167.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -169.46 -161.24 19.48 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.609 2.052 . . . . 0.0 112.162 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -77.41 9.1 3.47 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.863 -1.375 . . . . 0.0 114.269 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -121.42 1.77 10.18 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.797 1.239 . . . . 0.0 113.772 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -59.09 143.16 49.44 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.878 1.271 . . . . 0.0 113.741 -170.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -109.94 139.8 44.64 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 125.309 1.444 . . . . 0.0 111.188 172.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.8 mt -93.89 160.13 14.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 126.949 2.1 . . . . 0.0 112.63 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.18 -29.42 69.79 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.745 1.218 . . . . 0.0 113.494 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.43 -9.22 58.46 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.669 1.188 . . . . 0.0 113.999 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.49 58.66 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.293 1.901 . . . . 0.0 116.206 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.9 p -89.45 164.69 14.73 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 119.386 1.593 . . . . 0.0 113.561 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -92.08 153.08 19.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.229 -0.92 . . . . 0.0 112.863 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.18 159.6 18.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.481 1.512 . . . . 0.0 112.536 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.5 -30.14 33.39 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.219 1.007 . . . . 0.0 113.48 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -157.22 162.58 39.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.154 1.382 . . . . 0.0 112.535 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.94 97.31 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.864 1.221 . . . . 0.0 113.576 -175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -63.8 -43.43 96.32 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 119.319 1.559 . . . . 0.0 112.504 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.14 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.843 1.202 . . . . 0.0 112.305 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.85 63.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 173.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.1 tp -82.77 -40.69 20.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.948 1.299 . . . . 0.0 111.943 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.61 -23.16 67.17 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.597 1.159 . . . . 0.0 113.856 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.41 -20.95 65.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.813 1.645 . . . . 0.0 113.631 172.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.2 mt -96.57 -8.69 31.2 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.444 1.498 . . . . 0.0 114.12 -167.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -70.38 113.05 7.15 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 120.023 1.283 . . . . 0.0 109.966 171.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.7 p -86.12 -14.89 42.84 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.19 1.396 . . . . 0.0 114.444 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -109.93 -22.85 11.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -164.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.26 31.5 61.3 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 119.033 0.833 . . . . 0.0 113.914 -166.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -97.85 -7.4 30.48 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.135 1.374 . . . . 0.0 112.075 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.281 5.3 t30 58.84 30.87 20.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 127.995 2.518 . . . . 0.0 114.644 -178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.8 pt -133.45 156.35 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.888 1.675 . . . . 0.0 111.039 169.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.0 mm -99.93 116.35 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 167.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -149.56 177.71 9.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.798 1.639 . . . . 0.0 111.009 -170.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.73 16.48 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -174.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.34 -24.99 66.61 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -90.8 142.09 28.13 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.826 1.651 . . . . 0.0 113.053 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.92 -36.83 68.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.873 1.269 . . . . 0.0 113.533 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.33 62.64 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.943 1.297 . . . . 0.0 113.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.34 -20.69 64.64 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.841 -1.162 . . . . 0.0 113.217 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -84.97 -28.28 25.92 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.041 1.337 . . . . 0.0 113.894 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.8 p -105.76 -20.01 13.58 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.4 mt -63.73 140.87 58.91 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.709 1.204 . . . . 0.0 111.701 172.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.9 mmt-85 -139.52 169.64 17.38 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.298 2.239 . . . . 0.0 109.345 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -119.21 127.73 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 124.177 0.991 . . . . 0.0 109.473 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -91.92 109.0 20.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.073 1.349 . . . . 0.0 109.957 177.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -110.11 99.7 8.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.271 1.828 . . . . 0.0 107.729 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.21 147.43 36.41 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.724 -0.61 . . . . 0.0 111.879 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -84.74 -42.21 15.44 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.115 0.966 . . . . 0.0 112.436 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -119.0 -7.32 10.4 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.26 20.4 mp0 60.57 42.07 14.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 127.712 2.405 . . . . 0.0 114.341 176.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -76.25 -25.34 54.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.572 1.549 . . . . 0.0 114.218 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.14 19.66 69.13 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 124.189 0.9 . . . . 0.0 113.834 -166.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.8 mt -129.35 112.01 23.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 125.84 1.656 . . . . 0.0 107.991 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -84.11 144.33 29.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.21 -0.931 . . . . 0.0 112.561 -174.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -125.85 167.4 15.28 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 124.326 1.05 . . . . 0.0 111.945 165.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.4 60.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.635 1.717 . . . . 0.0 115.635 -165.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -91.15 -3.34 57.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.487 1.515 . . . . 0.0 113.333 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -93.1 7.75 42.92 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.385 1.474 . . . . 0.0 113.636 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.1 mt -101.87 147.84 26.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.673 1.189 . . . . 0.0 112.01 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -122.87 147.63 46.34 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.908 2.083 . . . . 0.0 108.795 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.9 p -79.83 157.95 26.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 123.788 0.835 . . . . 0.0 111.565 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.75 -33.99 75.04 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.131 -0.981 . . . . 0.0 111.692 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -69.25 -46.11 68.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.32 -27.69 64.57 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 119.828 1.194 . . . . 0.0 111.925 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.26 2.94 16.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.958 1.703 . . . . 0.0 113.585 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.44 31.77 79.81 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 119.724 1.147 . . . . 0.0 114.044 172.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.4 mt -83.69 134.75 26.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 118.815 1.308 . . . . 0.0 110.198 -175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -94.57 -49.41 5.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.245 1.818 . . . . 0.0 111.277 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.2 p -161.55 168.14 24.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.68 1.192 . . . . 0.0 112.781 173.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.0 135.06 48.13 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.838 1.655 . . . . 0.0 110.299 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -89.45 130.22 35.83 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.408 1.083 . . . . 0.0 111.543 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.79 12.53 18.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -96.25 93.26 6.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 120.675 1.58 . . . . 0.0 112.498 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -100.06 144.33 29.22 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.421 1.889 . . . . 0.0 112.801 -173.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -131.05 143.18 50.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.488 1.515 . . . . 0.0 111.999 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.64 136.78 47.47 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.111 0.964 . . . . 0.0 112.093 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -134.07 -26.5 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 126.475 1.91 . . . . 0.0 114.112 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 42.57 45.94 4.09 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 127.322 2.249 . . . . 0.0 115.531 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -105.75 124.63 49.87 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 125.07 1.348 . . . . 0.0 111.548 -169.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -71.76 131.3 42.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.724 171.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.0 mt -116.31 -23.09 8.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.084 1.354 . . . . 0.0 113.242 -176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.99 179.52 38.18 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 125.034 1.302 . . . . 0.0 112.806 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -69.56 96.19 0.91 Allowed 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.627 1.171 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.79 10.75 75.35 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 125.316 1.436 . . . . 0.0 116.079 -170.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -125.02 122.88 38.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 119.398 1.599 . . . . 0.0 112.248 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 72.2 m -145.59 137.48 25.37 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 124.664 1.186 . . . . 0.0 111.083 -168.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.8 tp -102.54 115.85 31.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.957 1.703 . . . . 0.0 110.735 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.12 3.57 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.048 0.939 . . . . 0.0 112.902 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -141.97 145.49 34.54 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.831 1.253 . . . . 0.0 111.325 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -139.17 133.12 30.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.042 1.337 . . . . 0.0 111.997 -162.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -117.25 -157.21 10.69 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 126.376 1.941 . . . . 0.0 111.837 161.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.5 m -134.7 170.18 16.21 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.254 1.022 . . . . 0.0 112.471 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -131.76 152.49 50.9 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.843 0.857 . . . . 0.0 110.701 160.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.0 m -104.82 138.99 40.25 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.448 1.099 . . . . 0.0 110.076 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -99.28 156.22 17.1 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 126.522 1.929 . . . . 0.0 110.764 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.3 p -60.69 -24.74 65.86 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.898 -1.127 . . . . 0.0 113.842 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -74.01 -1.56 20.46 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.851 1.66 . . . . 0.0 115.073 173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.14 2.87 73.64 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 126.898 2.189 . . . . 0.0 115.918 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 170.85 8.35 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 119.314 1.557 . . . . 0.0 112.434 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.6 p -126.46 163.06 24.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.9 164.37 30.44 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.874 1.269 . . . . 0.0 110.809 160.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -87.52 152.41 22.23 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.285 1.034 . . . . 0.0 113.097 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.2 ptm -150.37 150.43 31.41 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.514 1.126 . . . . 0.0 112.055 173.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.73 177.62 48.08 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 117.013 1.565 . . . . 0.0 117.013 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -74.52 106.41 6.1 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 109.675 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -119.18 120.04 35.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.486 1.914 . . . . 0.0 110.055 -165.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.8 tp -71.42 123.76 23.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.247 1.819 . . . . 0.0 111.01 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.4 mt -104.21 134.3 47.69 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.81 2.044 . . . . 0.0 109.064 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -99.0 121.85 41.49 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.08 0.952 . . . . 0.0 110.556 176.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -153.0 168.1 26.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.737 1.215 . . . . 0.0 111.981 -174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -81.32 147.15 30.01 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 121.501 -0.75 . . . . 0.0 112.956 174.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -70.27 161.63 29.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.923 0.889 . . . . 0.0 110.529 163.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.91 -11.82 61.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -168.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.47 159.02 11.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.669 1.188 . . . . 0.0 113.256 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 89.7 p -71.63 -6.64 42.46 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -66.38 3.76 0.87 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 117.946 2.572 . . . . 0.0 117.946 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -64.36 -13.92 53.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.532 1.133 . . . . 0.0 113.406 172.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 77.2 mt -118.99 148.92 42.47 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.012 1.325 . . . . 0.0 109.774 157.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 129.696 3.198 . . . . 0.0 113.844 2.143 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.5 m -80.17 59.34 3.3 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.121 2.168 . . . . 0.0 113.04 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.87 131.28 11.29 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.04 1.336 . . . . 0.0 109.55 -175.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.17 19.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -170.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.3 tp -88.29 114.07 24.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 124.833 1.253 . . . . 0.0 110.391 169.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.07 161.52 21.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.374 1.47 . . . . 0.0 114.103 -170.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mp -132.66 140.8 48.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.237 1.815 . . . . 0.0 111.522 -177.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -84.56 106.31 16.03 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.241 1.016 . . . . 0.0 112.284 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.01 -17.73 36.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -166.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -113.78 -16.29 12.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.119 1.525 . . . . 0.0 115.119 172.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.5 25.94 24.38 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.342 -1.254 . . . . 0.0 114.528 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.21 10.25 30.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 120.038 1.919 . . . . 0.0 115.424 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 160.55 29.41 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 127.145 2.307 . . . . 0.0 112.691 -171.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.92 117.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -101.72 146.7 27.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 122.259 1.028 . . . . 0.0 113.509 -170.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.2 p -126.07 162.28 25.67 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 111.67 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.77 150.24 19.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.021 1.329 . . . . 0.0 111.123 -175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.93 138.36 39.65 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.057 0.943 . . . . 0.0 111.901 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.6 p -120.71 -18.21 7.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -171.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -155.5 148.69 24.71 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.294 1.838 . . . . 0.0 111.0 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.2 -148.42 1.03 Allowed Glycine 0 CA--C 1.526 0.76 0 C-N-CA 126.118 1.818 . . . . 0.0 116.475 -175.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -130.48 4.09 4.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -165.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.6 m -68.9 -20.28 64.24 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 120.288 1.404 . . . . 0.0 114.769 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.84 2.69 80.24 Favored Glycine 0 CA--C 1.525 0.656 0 C-N-CA 125.089 1.328 . . . . 0.0 114.745 169.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -110.75 1.44 17.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 127.205 2.202 . . . . 0.0 113.7 -172.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.79 -30.44 70.81 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 -164.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -74.19 -28.85 61.47 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.632 1.106 . . . . 0.0 112.66 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -72.94 -34.8 66.78 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 118.861 0.755 . . . . 0.0 111.622 169.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -66.96 -20.95 65.98 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 170.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -80.02 -13.76 59.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.386 0.994 . . . . 0.0 112.877 169.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -95.02 -53.61 3.75 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.326 1.451 . . . . 0.0 111.931 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -151.32 -47.02 0.11 Allowed 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.576 1.15 . . . . 0.0 112.945 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 9.22 87.0 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 126.112 1.815 . . . . 0.0 116.288 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.3 pt -95.7 -7.7 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -168.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -137.22 38.09 2.52 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 125.283 1.433 . . . . 0.0 112.662 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -134.49 115.66 14.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.183 0.993 . . . . 0.0 111.025 171.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.3 155.41 15.53 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 126.897 2.079 . . . . 0.0 111.354 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -116.54 135.93 53.4 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 125.366 1.466 . . . . 0.0 111.465 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.84 172.61 43.26 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 116.016 1.166 . . . . 0.0 116.016 -174.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -154.23 173.65 15.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.911 1.684 . . . . 0.0 112.873 -172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.3 t -61.14 129.73 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 124.395 1.078 . . . . 0.0 110.384 172.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -65.56 156.93 31.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.459 1.104 . . . . 0.0 113.352 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -16.38 6.34 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 165.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.6 -33.02 72.1 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.663 1.585 . . . . 0.0 112.883 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -125.41 -177.01 3.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.537 1.935 . . . . 0.0 113.34 -170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.39 159.3 26.71 Favored Glycine 0 CA--C 1.527 0.798 0 O-C-N 120.965 -1.084 . . . . 0.0 113.597 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 pp -125.49 150.06 47.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.731 1.212 . . . . 0.0 112.674 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.2 tp -79.75 133.99 36.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.287 1.035 . . . . 0.0 112.264 -169.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.45 155.26 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.462 1.905 . . . . 0.0 111.929 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -151.58 127.46 10.31 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.185 1.394 . . . . 0.0 110.417 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -72.0 115.57 11.39 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.886 0.474 . . . . 0.0 110.308 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.11 -3.56 33.47 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.696 0.798 . . . . 0.0 112.705 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -101.32 -5.03 25.96 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.418 1.887 . . . . 0.0 114.713 171.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.87 19.14 67.27 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 116.467 1.347 . . . . 0.0 116.467 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -96.05 -15.07 22.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 120.13 1.965 . . . . 0.0 112.779 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.39 18.55 41.69 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 126.065 1.793 . . . . 0.0 115.886 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 mt -123.53 133.38 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 124.733 1.213 . . . . 0.0 111.386 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.5 mm -103.77 120.1 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.617 1.967 . . . . 0.0 109.598 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.76 -10.73 2.36 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -135.69 160.56 38.15 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.16 0.984 . . . . 0.0 113.141 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.68 62.96 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 124.397 0.999 . . . . 0.0 113.886 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.65 68.09 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.157 1.783 . . . . 0.0 114.286 172.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -93.37 17.29 11.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.158 1.383 . . . . 0.0 113.336 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -109.85 151.98 26.33 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 128.087 2.555 . . . . 0.0 110.665 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -85.73 113.42 21.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.238 0.615 . . . . 0.0 109.821 162.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.34 -140.76 3.79 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 125.833 1.682 . . . . 0.0 112.288 -166.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -79.31 -14.94 58.68 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.402 1.481 . . . . 0.0 114.833 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.48 27.35 6.55 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.793 1.637 . . . . 0.0 114.156 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.5 m -60.79 149.64 35.17 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.425 1.49 . . . . 0.0 112.426 -170.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -115.7 128.58 56.0 Favored 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.502 -1.373 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -73.14 162.26 29.63 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.936 0.894 . . . . 0.0 112.152 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.82 -31.1 72.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.966 -1.083 . . . . 0.0 113.319 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.89 -8.99 58.17 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.096 1.359 . . . . 0.0 113.234 172.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.06 -1.17 60.78 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 125.924 1.726 . . . . 0.0 115.953 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.5 m -72.14 153.17 41.82 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 120.168 1.984 . . . . 0.0 113.031 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -76.79 143.52 39.78 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.892 0.877 . . . . 0.0 111.296 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.37 120.49 16.69 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.299 1.439 . . . . 0.0 111.637 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -70.74 -23.17 62.38 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.706 1.602 . . . . 0.0 113.472 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 116.09 24.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.746 1.218 . . . . 0.0 112.453 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.18 -29.8 66.05 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 124.445 1.021 . . . . 0.0 114.868 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -37.96 62.41 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.292 1.546 . . . . 0.0 110.382 175.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.26 90.38 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 120.804 -1.185 . . . . 0.0 112.645 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.85 96.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.424 -0.798 . . . . 0.0 112.919 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.96 -37.41 79.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.114 0.966 . . . . 0.0 111.605 172.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.01 67.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -69.99 -8.64 50.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 173.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.6 mt -88.13 2.41 52.12 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -75.08 119.01 18.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 120.474 -1.392 . . . . 0.0 111.019 171.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.0 m -90.39 -16.32 29.32 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.534 1.533 . . . . 0.0 113.845 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.45 -14.12 14.16 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -165.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.42 34.6 79.99 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 125.424 1.488 . . . . 0.0 114.774 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -103.21 -3.21 26.06 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.251 1.82 . . . . 0.0 112.462 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 t30 60.51 27.86 17.52 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 127.389 2.276 . . . . 0.0 114.606 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.5 pt -132.99 159.16 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 125.839 1.656 . . . . 0.0 111.934 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -106.55 116.16 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 C-N-CA 124.42 1.088 . . . . 0.0 109.429 170.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.25 175.92 13.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.254 1.821 . . . . 0.0 111.996 -167.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.43 17.52 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.18 -12.13 59.97 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -79.97 138.26 37.03 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 119.924 1.238 . . . . 0.0 114.338 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.02 -28.65 69.2 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.14 52.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.5 -36.76 71.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -163.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -78.46 -15.1 59.0 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 119.559 1.072 . . . . 0.0 113.68 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -83.43 -21.26 33.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.416 1.486 . . . . 0.0 112.802 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.68 135.63 39.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.772 0.829 . . . . 0.0 110.818 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -137.86 166.27 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.087 1.755 . . . . 0.0 110.476 -177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -125.98 135.13 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 125.204 1.402 . . . . 0.0 109.762 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -102.49 125.85 49.34 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.986 1.314 . . . . 0.0 110.406 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -125.25 117.78 24.57 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 125.958 1.703 . . . . 0.0 109.819 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -111.04 105.55 14.34 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 123.659 0.783 . . . . 0.0 111.82 -172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 53.1 mt -77.58 -10.68 59.64 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.102 0.961 . . . . 0.0 113.081 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.56 -17.75 12.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 56.26 33.13 21.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.613 1.965 . . . . 0.0 116.195 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -80.1 1.55 27.51 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.822 -1.174 . . . . 0.0 113.465 171.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.85 7.08 58.3 Favored Glycine 0 N--CA 1.445 -0.73 0 O-C-N 120.583 -1.323 . . . . 0.0 115.223 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.74 134.91 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 C-N-CA 126.715 2.006 . . . . 0.0 109.143 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.2 p -87.89 128.01 35.36 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 0.0 111.279 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -119.17 152.43 36.58 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 125.253 1.421 . . . . 0.0 110.273 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.41 -32.3 68.52 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -64.83 -22.98 67.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -85.17 5.83 28.38 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.516 1.526 . . . . 0.0 113.554 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 64.0 mt -105.02 126.5 52.14 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.674 1.59 . . . . 0.0 111.76 -170.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -110.09 143.85 39.55 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.412 1.885 . . . . 0.0 110.285 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -73.93 164.61 26.4 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.679 0.792 . . . . 0.0 110.532 158.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.83 -33.23 75.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.279 -0.888 . . . . 0.0 111.33 169.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -76.15 -37.58 57.78 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.28 -17.72 61.86 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.7 -10.4 55.71 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.099 1.36 . . . . 0.0 113.389 167.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.77 33.41 80.17 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 125.339 1.447 . . . . 0.0 113.876 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.55 137.99 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 C-N-CA 124.318 1.047 . . . . 0.0 109.435 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.86 -43.65 3.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.343 1.457 . . . . 0.0 112.093 -173.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.9 m -153.96 151.69 29.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 124.885 1.274 . . . . 0.0 113.102 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.76 140.36 48.96 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.774 1.63 . . . . 0.0 110.345 168.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -92.72 134.56 34.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 123.896 0.879 . . . . 0.0 111.654 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.1 -5.49 52.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.011 1.324 . . . . 0.0 114.389 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.84 113.39 22.61 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.243 1.417 . . . . 0.0 111.243 174.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -130.11 168.13 17.26 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 124.966 1.306 . . . . 0.0 113.099 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -142.02 152.14 43.11 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.839 2.055 . . . . 0.0 111.074 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -80.12 132.4 35.93 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.088 0.955 . . . . 0.0 112.516 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.58 -25.68 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.102 1.361 . . . . 0.0 114.034 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 45.73 42.44 8.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 126.209 1.804 . . . . 0.0 115.463 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -83.43 121.49 27.25 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 126.797 2.039 . . . . 0.0 112.08 -172.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.63 137.2 56.55 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.205 -0.934 . . . . 0.0 111.839 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 69.4 mt -110.64 -8.76 14.57 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.697 1.599 . . . . 0.0 114.186 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 96.99 164.66 32.54 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 125.433 1.492 . . . . 0.0 113.605 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.68 30.77 9.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.026 1.731 . . . . 0.0 114.114 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.62 3.72 90.55 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -94.11 151.38 19.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.878 1.839 . . . . 0.0 112.105 -175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.4 m -141.93 137.33 31.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.28 1.032 . . . . 0.0 111.474 -173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 22.6 tp -91.33 113.77 26.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.869 1.668 . . . . 0.0 109.426 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.24 -57.56 3.56 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -131.24 135.51 47.42 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.442 1.497 . . . . 0.0 111.454 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -122.18 144.9 48.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.285 1.434 . . . . 0.0 112.009 -172.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.33 -162.87 9.42 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 127.826 2.631 . . . . 0.0 111.248 166.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.8 m -131.69 151.42 51.65 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.866 -1.373 . . . . 0.0 114.297 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -123.69 159.56 29.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.575 1.15 . . . . 0.0 111.63 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.6 m -118.31 134.77 54.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.982 1.713 . . . . 0.0 110.906 -174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -96.47 158.76 15.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.873 1.669 . . . . 0.0 111.839 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.7 p -64.92 -19.6 66.02 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -77.62 3.75 13.04 Favored 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.62 0.79 87.84 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 125.341 1.448 . . . . 0.0 115.807 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.0 p -80.21 159.21 26.02 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 119.449 1.625 . . . . 0.0 112.611 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.1 p -127.71 147.12 50.39 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.042 1.337 . . . . 0.0 112.536 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.54 168.54 23.95 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.655 1.982 . . . . 0.0 109.857 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -83.06 154.19 24.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -171.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.2 ptm -139.6 156.39 46.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.497 1.919 . . . . 0.0 109.727 169.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.43 170.33 41.07 Favored Glycine 0 C--N 1.338 0.682 0 N-CA-C 117.261 1.664 . . . . 0.0 117.261 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.79 107.81 19.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.063 2.145 . . . . 0.0 111.454 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 mt -95.28 148.09 22.79 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 125.045 1.338 . . . . 0.0 113.962 -171.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.09 120.43 41.27 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.769 2.428 . . . . 0.0 107.509 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.7 mt -110.63 147.47 34.21 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 123.441 0.697 . . . . 0.0 111.679 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -84.07 142.07 30.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -160.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -92.25 170.59 9.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 117.379 2.363 . . . . 0.0 117.379 -159.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.14 150.31 37.2 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.564 1.545 . . . . 0.0 112.77 173.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.69 119.27 7.45 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.935 1.694 . . . . 0.0 109.653 171.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 76.5 mt -138.8 -15.8 1.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.883 1.673 . . . . 0.0 113.372 -171.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -77.94 -33.3 51.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.57 1.548 . . . . 0.0 113.304 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 37.4 m -81.69 44.05 0.79 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.276 2.231 . . . . 0.0 113.76 -171.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -61.81 -24.52 66.92 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 6.0 t80 61.31 -37.96 0.11 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 129.739 3.216 . . . . 0.0 117.725 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 58.8 mt -117.04 -10.9 10.82 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 126.277 1.831 . . . . 0.0 112.952 -168.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.45 1.9 . . . . 0.0 113.493 -162.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.0 m -133.75 143.9 48.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.703 1.201 . . . . 0.0 110.108 172.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -105.89 160.45 15.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -169.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.92 165.23 34.3 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.38 1.872 . . . . 0.0 111.15 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tt -98.32 121.27 40.05 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 124.766 1.226 . . . . 0.0 109.122 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.15 146.67 41.14 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.36 1.464 . . . . 0.0 111.97 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -113.27 137.1 51.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 126.382 1.873 . . . . 0.0 110.353 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -77.51 103.46 7.45 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.178 1.391 . . . . 0.0 109.355 166.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -90.18 -34.88 15.66 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.082 -1.011 . . . . 0.0 113.251 -170.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -84.8 -19.04 33.16 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.217 1.372 . . . . 0.0 113.623 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.07 55.52 2.49 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 119.649 1.113 . . . . 0.0 114.206 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -140.33 10.8 2.33 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.01 147.53 11.67 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 126.378 1.942 . . . . 0.0 113.205 -172.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.96 130.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.373 -1.075 . . . . 0.0 109.216 177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -127.5 145.78 50.73 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.8 p -119.73 158.66 26.04 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 124.873 1.269 . . . . 0.0 112.234 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.03 151.44 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 126.016 1.726 . . . . 0.0 111.217 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.47 136.8 44.21 Favored 'General case' 0 C--O 1.221 -0.442 0 C-N-CA 123.227 0.611 . . . . 0.0 110.19 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 p -65.17 157.47 28.66 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -167.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 60.07 -3.41 0.12 Allowed 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.545 2.738 . . . . 0.0 118.254 170.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.14 13.63 79.37 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 119.28 0.945 . . . . 0.0 113.921 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -159.89 133.82 7.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.656 1.582 . . . . 0.0 110.371 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -85.99 -2.81 58.65 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.27 172.6 47.97 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 118.866 0.757 . . . . 0.0 113.172 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 p -148.17 -47.41 0.16 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.002 1.321 . . . . 0.0 112.453 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -153.15 144.34 23.09 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.853 1.661 . . . . 0.0 111.983 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -156.47 151.2 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.852 0.861 . . . . 0.0 112.546 172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.05 154.26 7.84 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.688 1.995 . . . . 0.0 114.171 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -105.23 -7.6 18.87 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -171.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -82.78 -11.87 57.95 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -163.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -122.01 142.8 49.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.323 1.449 . . . . 0.0 112.974 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -78.48 145.29 35.07 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.607 1.963 . . . . 0.0 113.052 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.08 18.2 57.04 Favored Glycine 0 C--O 1.22 -0.767 0 C-N-CA 125.396 1.474 . . . . 0.0 115.716 163.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -78.22 -18.24 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.744 1.618 . . . . 0.0 113.416 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -135.12 134.14 39.94 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.894 1.678 . . . . 0.0 110.56 168.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 p -142.73 146.49 34.39 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 124.706 1.203 . . . . 0.0 111.856 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.81 166.58 0.05 Allowed 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 127.813 2.445 . . . . 0.0 116.723 -172.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.0 m -130.78 -17.51 3.18 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.784 1.634 . . . . 0.0 113.357 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.19 150.21 18.79 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 121.27 -0.894 . . . . 0.0 114.534 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -147.25 172.36 13.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.285 2.234 . . . . 0.0 111.095 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.7 t -84.62 135.19 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 124.89 1.276 . . . . 0.0 111.716 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 145.34 17.7 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.722 1.609 . . . . 0.0 112.589 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.44 -16.13 63.87 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -80.49 -10.64 59.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.401 1.48 . . . . 0.0 114.093 171.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -116.08 178.26 4.38 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 128.292 2.637 . . . . 0.0 111.693 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.25 167.9 37.03 Favored Glycine 0 N--CA 1.444 -0.796 0 O-C-N 120.686 -1.259 . . . . 0.0 115.703 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.53 136.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.221 1.808 . . . . 0.0 111.325 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 tp -77.24 135.58 38.47 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 170.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.04 153.21 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 CA-C-N 119.544 1.065 . . . . 0.0 113.378 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -136.92 158.66 43.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.401 1.881 . . . . 0.0 109.989 164.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.13 113.06 25.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.58 -20.53 60.59 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.637 1.575 . . . . 0.0 114.816 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.3 p30 -116.13 -9.8 11.61 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.192 1.397 . . . . 0.0 114.157 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.82 85.98 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 125.879 1.704 . . . . 0.0 116.708 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -79.49 -10.7 59.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 120.124 1.962 . . . . 0.0 114.735 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.29 9.0 84.45 Favored Glycine 0 C--N 1.338 0.663 0 O-C-N 120.244 -1.535 . . . . 0.0 116.272 174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.63 148.45 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 126.231 1.813 . . . . 0.0 109.606 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.9 mm -69.75 127.71 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.282 -1.512 . . . . 0.0 110.816 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -117.54 -22.56 8.07 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 125.795 1.638 . . . . 0.0 113.669 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -148.75 151.25 34.51 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.843 1.257 . . . . 0.0 111.501 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.23 -19.47 52.24 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 124.952 1.263 . . . . 0.0 114.639 174.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -17.18 33.41 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 170.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.63 -13.73 60.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 120.028 1.285 . . . . 0.0 113.952 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.76 146.0 24.8 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.85 1.66 . . . . 0.0 109.51 171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -76.75 102.87 6.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.499 -0.751 . . . . 0.0 110.299 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.55 174.41 41.31 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 125.899 1.714 . . . . 0.0 111.045 -173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.47 -10.99 60.48 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -164.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -91.81 6.38 46.27 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.065 1.346 . . . . 0.0 113.764 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -78.33 163.86 25.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.772 -1.205 . . . . 0.0 114.231 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -104.97 156.88 17.63 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.71 1.604 . . . . 0.0 112.104 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.99 166.38 22.41 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.801 1.641 . . . . 0.0 110.705 164.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.59 -20.84 65.99 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -87.79 6.28 36.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.762 1.225 . . . . 0.0 114.048 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.05 -5.19 85.63 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 125.422 1.487 . . . . 0.0 115.881 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.9 m -67.86 144.83 55.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 119.842 1.821 . . . . 0.0 112.3 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -72.05 126.92 30.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 121.432 -0.792 . . . . 0.0 110.943 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.57 144.44 35.55 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -72.16 -25.26 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.27 1.028 . . . . 0.0 113.718 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -157.51 160.6 38.4 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.983 2.513 . . . . 0.0 109.019 166.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.6 62.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 114.93 0.732 . . . . 0.0 114.93 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -67.77 -31.11 70.78 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 125.023 1.329 . . . . 0.0 113.172 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.71 -31.06 71.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.895 -1.128 . . . . 0.0 113.616 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.91 52.35 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.498 1.119 . . . . 0.0 113.585 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.0 tp -77.72 -43.31 31.41 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.04 0.936 . . . . 0.0 111.656 172.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.45 73.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -70.49 -5.69 30.66 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.97 -18.95 57.9 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.157 0.983 . . . . 0.0 113.46 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -67.82 124.69 24.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.092 0.957 . . . . 0.0 111.219 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.4 p -91.06 -35.59 14.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -110.56 -6.98 14.76 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.655 1.982 . . . . 0.0 114.709 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.04 44.95 22.09 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.122 -0.821 . . . . 0.0 114.456 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -101.37 1.91 39.01 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 125.814 1.646 . . . . 0.0 113.309 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.256 0.9 OUTLIER 67.98 21.63 8.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.663 2.385 . . . . 0.0 115.56 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.8 pt -133.86 148.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 125.344 1.457 . . . . 0.0 111.912 168.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mm -100.0 103.07 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -135.51 172.68 12.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -166.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.96 -17.51 6.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.137 1.902 . . . . 0.0 116.137 -169.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.31 -26.73 32.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 120.049 1.295 . . . . 0.0 114.323 174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -68.2 137.49 54.86 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 120.417 -1.427 . . . . 0.0 112.273 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.41 70.8 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.147 -0.971 . . . . 0.0 113.287 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -25.06 60.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 124.665 1.186 . . . . 0.0 114.107 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.66 -25.94 68.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -81.14 -29.52 34.73 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.1 p -92.76 -28.98 16.26 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 125.088 1.355 . . . . 0.0 114.241 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.9 148.48 25.45 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.038 1.335 . . . . 0.0 112.206 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -133.96 165.05 25.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.099 1.36 . . . . 0.0 110.836 169.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.7 t -114.26 131.08 67.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 C-N-CA 125.602 1.561 . . . . 0.0 108.935 167.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -117.59 135.9 53.65 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.162 1.785 . . . . 0.0 112.396 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -140.1 147.3 40.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.605 1.962 . . . . 0.0 107.575 165.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -138.85 114.61 9.95 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.194 0.998 . . . . 0.0 110.724 -169.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.4 -22.81 58.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.272 0.629 . . . . 0.0 112.156 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -98.64 -11.71 21.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.37 1.468 . . . . 0.0 113.177 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 51.52 42.55 29.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.236 1.415 . . . . 0.0 113.893 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -110.3 17.92 20.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.234 1.414 . . . . 0.0 113.701 -169.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.92 5.65 80.4 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 168.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.5 mt -133.11 143.57 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 C-N-CA 126.961 2.105 . . . . 0.0 108.884 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.9 p -97.34 167.97 10.69 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.428 1.491 . . . . 0.0 114.309 -178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -142.15 164.04 31.25 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.379 2.272 . . . . 0.0 109.463 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.83 89.81 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -67.58 -23.93 65.45 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -81.85 -11.06 59.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.311 1.444 . . . . 0.0 112.817 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.48 136.9 52.51 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 126.704 2.002 . . . . 0.0 111.849 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -135.9 149.35 48.94 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.607 1.563 . . . . 0.0 110.765 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.6 p -84.35 154.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.375 1.07 . . . . 0.0 111.711 169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.04 -31.84 71.47 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 123.991 0.916 . . . . 0.0 111.366 170.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.05 -49.43 74.61 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.26 1.424 . . . . 0.0 112.654 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -24.8 63.72 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.073 -1.017 . . . . 0.0 112.867 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.84 -2.33 32.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 168.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.72 22.67 76.87 Favored Glycine 0 C--O 1.22 -0.76 0 CA-C-N 119.644 1.111 . . . . 0.0 114.278 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.2 mt -83.0 146.85 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 124.765 1.226 . . . . 0.0 109.351 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -113.59 -41.81 3.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.567 1.547 . . . . 0.0 112.812 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.4 m -147.89 146.24 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.7 mt -110.46 122.21 47.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 127.205 2.202 . . . . 0.0 107.94 162.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -93.47 124.62 37.58 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 118.797 0.726 . . . . 0.0 111.665 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.7 -8.97 57.99 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.11 117.3 13.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 120.158 1.344 . . . . 0.0 112.644 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 7.1 m-30 -109.63 150.53 28.09 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.456 1.503 . . . . 0.0 114.56 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -111.32 144.41 40.56 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 128.109 2.564 . . . . 0.0 109.723 164.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -82.44 136.31 34.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.855 0.862 . . . . 0.0 112.282 172.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.6 -26.3 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 36.94 57.07 1.21 Allowed 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 127.329 2.252 . . . . 0.0 115.714 168.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -120.18 146.87 45.59 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 126.021 1.728 . . . . 0.0 114.387 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -84.89 120.14 26.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.497 1.519 . . . . 0.0 110.839 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.5 mt -88.8 -7.05 56.89 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.011 1.324 . . . . 0.0 113.724 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.04 144.07 4.45 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 126.359 1.933 . . . . 0.0 111.554 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 46.2 35.13 2.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.131 1.772 . . . . 0.0 115.689 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.15 12.97 72.44 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.55 123.67 33.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.968 1.384 . . . . 0.0 109.73 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 83.1 m -123.45 122.57 38.58 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -163.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.2 tp -92.35 117.58 30.05 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.435 1.894 . . . . 0.0 109.632 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.37 -53.48 4.43 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.147 0.979 . . . . 0.0 112.968 -172.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -130.52 153.74 48.52 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 124.704 1.202 . . . . 0.0 110.748 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -135.87 140.99 44.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.358 1.463 . . . . 0.0 111.645 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.6 -163.14 9.56 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 127.608 2.528 . . . . 0.0 111.303 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.6 m -138.52 158.33 44.46 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -121.91 151.96 40.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 126.42 1.888 . . . . 0.0 110.607 171.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 17.1 m -116.85 136.79 52.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.828 1.651 . . . . 0.0 110.59 -172.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.34 159.14 15.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.259 1.823 . . . . 0.0 113.013 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 75.8 p -66.58 -18.04 65.15 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -177.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -78.0 -8.28 57.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.001 1.32 . . . . 0.0 114.527 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 96.13 0.88 61.43 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 125.971 1.748 . . . . 0.0 115.92 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -83.86 159.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 119.704 1.752 . . . . 0.0 112.926 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.0 p -130.11 153.09 48.85 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 125.265 1.426 . . . . 0.0 112.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -149.24 162.91 39.09 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.826 1.25 . . . . 0.0 112.524 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -78.56 152.23 32.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.767 1.627 . . . . 0.0 114.946 -169.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -147.9 160.33 42.91 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.031 1.732 . . . . 0.0 111.444 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.05 176.75 48.15 Favored Glycine 0 C--N 1.336 0.581 0 N-CA-C 117.582 1.793 . . . . 0.0 117.582 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -90.11 107.67 19.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.246 2.218 . . . . 0.0 111.404 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.3 tt -123.7 116.55 23.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.76 1.624 . . . . 0.0 111.124 -162.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 66.0 tp -88.04 116.36 26.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.553 1.941 . . . . 0.0 109.688 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -91.14 147.6 22.95 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.307 1.043 . . . . 0.0 111.68 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -76.35 139.67 41.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.861 1.264 . . . . 0.0 113.661 -172.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -73.4 173.98 8.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.64 1.576 . . . . 0.0 111.693 174.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -64.22 128.41 35.69 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.293 1.437 . . . . 0.0 111.911 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -85.04 54.19 3.01 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.977 1.311 . . . . 0.0 112.457 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 92.8 mt -117.18 129.32 55.87 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.996 1.718 . . . . 0.0 109.368 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -117.09 -13.39 10.56 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.36 1.464 . . . . 0.0 113.989 -166.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 67.7 m -86.68 82.32 7.92 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.423 1.089 . . . . 0.0 109.016 165.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -107.11 133.01 52.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.265 1.826 . . . . 0.0 112.003 -166.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -147.73 -34.07 0.25 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.306 1.442 . . . . 0.0 113.392 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 68.3 mt -106.16 -47.44 3.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -163.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.338 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -169.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.9 p -150.05 21.58 0.87 Allowed 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.271 1.428 . . . . 0.0 114.799 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -65.22 168.99 6.1 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -128.71 169.16 14.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 127.777 2.431 . . . . 0.0 111.761 171.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.15 122.28 43.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.38 1.072 . . . . 0.0 111.445 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.48 152.42 40.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.746 1.618 . . . . 0.0 114.162 -171.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -125.78 144.13 50.76 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.205 2.202 . . . . 0.0 111.622 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -87.72 94.81 9.85 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.48 -14.06 36.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -164.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -102.7 -7.81 21.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 119.979 1.263 . . . . 0.0 113.465 167.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.91 27.52 28.6 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 168.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -122.19 19.57 10.68 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 120.212 2.006 . . . . 0.0 114.037 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.86 151.62 26.97 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 126.935 2.207 . . . . 0.0 113.639 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.4 mt -67.45 130.82 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.395 1.078 . . . . 0.0 109.914 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -125.65 149.12 48.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.819 1.648 . . . . 0.0 112.461 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.8 p -127.82 153.54 46.47 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.326 1.45 . . . . 0.0 112.373 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -137.86 165.94 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 C-N-CA 127.169 2.188 . . . . 0.0 110.697 -175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.16 151.63 46.12 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 121.55 -0.719 . . . . 0.0 110.781 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 p -68.5 137.66 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.707 -0.621 . . . . 0.0 110.243 164.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -133.05 -18.35 2.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.721 2.008 . . . . 0.0 114.146 -168.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.76 -16.19 80.97 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.979 1.551 . . . . 0.0 116.979 -169.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -137.18 174.23 10.83 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 119.61 1.705 . . . . 0.0 114.362 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 m -79.67 24.98 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -166.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.93 -174.68 52.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 125.173 1.368 . . . . 0.0 115.691 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 m -114.6 55.85 0.74 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.833 2.053 . . . . 0.0 110.635 -171.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -90.89 -44.51 9.34 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.015 1.326 . . . . 0.0 113.043 -167.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -135.77 163.07 31.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.461 1.505 . . . . 0.0 112.86 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -60.91 124.62 21.0 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.099 0.96 . . . . 0.0 113.326 -172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -98.09 2.81 49.06 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.313 1.445 . . . . 0.0 114.054 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 59.11 41.68 20.15 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 125.01 1.324 . . . . 0.0 113.257 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 54.83 35.49 24.33 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 127.044 2.138 . . . . 0.0 114.869 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -75.46 61.12 1.24 Allowed 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 127.026 2.13 . . . . 0.0 112.522 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.37 -151.28 52.22 Favored Glycine 0 C--N 1.337 0.603 0 O-C-N 120.64 -1.287 . . . . 0.0 115.59 175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt -72.18 15.48 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 -159.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -66.24 -6.55 14.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 O-C-N 118.991 -2.318 . . . . 0.0 115.491 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -18.56 59.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.697 1.599 . . . . 0.0 113.189 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.14 129.94 40.76 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -170.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p -107.32 -24.74 11.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 127.098 2.159 . . . . 0.0 113.322 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.15 153.45 19.45 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 125.096 1.332 . . . . 0.0 114.952 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -147.34 171.58 15.22 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.279 1.831 . . . . 0.0 112.306 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.54 135.51 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.067 1.347 . . . . 0.0 110.677 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 t -55.18 151.61 9.18 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.1 1.36 . . . . 0.0 113.319 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.52 -11.14 59.47 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.98 -5.28 58.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.617 1.167 . . . . 0.0 113.23 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -122.87 179.78 4.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 129.126 2.97 . . . . 0.0 112.215 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.74 -174.65 34.71 Favored Glycine 0 CA--C 1.524 0.623 0 O-C-N 120.349 -1.469 . . . . 0.0 115.898 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.8 mt -117.62 147.88 42.46 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 126.19 1.796 . . . . 0.0 112.372 -177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -83.87 129.52 34.93 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.262 1.025 . . . . 0.0 110.677 170.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -139.9 161.74 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.754 1.622 . . . . 0.0 112.525 -172.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -151.33 128.69 11.3 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 125.123 1.369 . . . . 0.0 111.758 173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -77.24 113.46 15.01 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.757 -0.589 . . . . 0.0 110.091 172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -76.47 -1.81 29.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.49 1.116 . . . . 0.0 113.088 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -98.5 -17.32 18.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.649 1.58 . . . . 0.0 113.496 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 25.14 56.7 Favored Glycine 0 C--N 1.339 0.721 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -108.22 -7.94 15.86 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.969 1.884 . . . . 0.0 113.563 170.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.52 26.12 31.06 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 118.279 -1.289 . . . . 0.0 113.961 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.54 126.48 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 119.052 1.426 . . . . 0.0 110.819 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm -97.97 123.96 50.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 126.031 1.733 . . . . 0.0 108.576 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -155.32 -24.09 0.11 Allowed 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -86.94 143.85 27.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.057 1.343 . . . . 0.0 110.402 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.71 -26.26 64.68 Favored Glycine 0 CA--C 1.533 1.207 0 O-C-N 120.499 -1.375 . . . . 0.0 114.797 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.17 -9.43 58.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 114.922 1.452 . . . . 0.0 114.922 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -86.26 6.35 30.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.798 1.239 . . . . 0.0 113.891 -171.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.42 157.29 17.13 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.877 2.071 . . . . 0.0 110.544 164.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -84.52 136.49 33.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 162.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.12 40.69 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.089 0.796 . . . . 0.0 115.089 -175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.96 -22.7 67.04 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -91.06 -6.1 54.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.459 1.104 . . . . 0.0 113.301 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.8 m -68.13 139.59 56.16 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.745 -1.222 . . . . 0.0 110.685 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -112.46 151.86 29.41 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -83.13 167.76 17.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 127.548 2.339 . . . . 0.0 110.287 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -34.69 66.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -96.98 7.27 47.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.759 1.224 . . . . 0.0 113.864 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.49 -1.17 57.04 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 117.157 1.623 . . . . 0.0 117.157 165.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 m -66.19 152.41 44.89 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 120.373 2.086 . . . . 0.0 111.271 166.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -76.68 147.69 37.3 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 121.166 -0.959 . . . . 0.0 111.348 171.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.3 66.35 6.51 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.551 1.54 . . . . 0.0 110.481 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.37 -30.51 69.47 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.163 1.385 . . . . 0.0 114.356 -172.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -77.52 136.41 38.31 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 123.338 0.655 . . . . 0.0 109.945 162.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -0.77 28.56 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 116.79 1.476 . . . . 0.0 116.79 -171.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -111.59 -10.8 14.1 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.884 2.073 . . . . 0.0 113.799 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -34.88 76.14 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -168.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.44 73.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.626 -0.671 . . . . 0.0 111.733 174.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.38 -33.45 75.88 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.335 1.054 . . . . 0.0 112.93 175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.82 -26.95 68.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.72 -17.9 57.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.208 -0.933 . . . . 0.0 112.993 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.0 mt -96.22 -13.0 23.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.097 1.759 . . . . 0.0 113.838 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -66.9 123.84 21.31 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.952 0.901 . . . . 0.0 110.434 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.9 p -91.54 -29.43 16.97 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -110.53 -6.28 14.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.266 1.426 . . . . 0.0 114.125 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.21 20.13 73.14 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 118.434 -1.203 . . . . 0.0 115.267 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -76.74 -2.72 34.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 119.293 1.547 . . . . 0.0 113.125 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 t30 67.85 23.39 8.44 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.451 1.9 . . . . 0.0 114.199 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.77 149.32 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.172 1.389 . . . . 0.0 111.387 166.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mm -94.37 120.74 44.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 164.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -146.88 170.64 16.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.271 1.428 . . . . 0.0 110.895 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.9 -17.56 17.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -171.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.28 -14.03 57.83 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -79.37 129.41 34.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.85 -1.156 . . . . 0.0 112.049 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.41 68.32 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 120.765 -1.21 . . . . 0.0 113.767 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.62 -19.4 65.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -56.12 -35.43 67.08 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.741 -1.224 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.21 -20.04 63.97 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.9 t -74.29 -24.99 59.33 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.131 0.973 . . . . 0.0 112.41 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.0 mt -72.57 140.94 48.39 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.215 1.006 . . . . 0.0 113.42 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.29 172.33 12.89 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.321 2.648 . . . . 0.0 109.322 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -120.65 144.58 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.553 1.541 . . . . 0.0 109.857 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -121.9 125.65 46.88 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.022 1.329 . . . . 0.0 111.658 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -120.12 100.3 7.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.394 1.478 . . . . 0.0 108.949 172.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 119.63 11.85 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.723 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.22 -15.91 39.36 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.254 1.022 . . . . 0.0 113.575 -166.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.91 -7.99 11.34 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 171.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 59.56 65.2 1.19 Allowed 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 127.565 2.346 . . . . 0.0 114.45 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.5 p30 -116.62 -12.78 10.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 168.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.87 11.02 82.21 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 119.12 0.873 . . . . 0.0 114.55 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -105.27 125.27 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.259 1.423 . . . . 0.0 107.529 168.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.11 145.98 27.37 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 119.002 0.819 . . . . 0.0 113.012 -175.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -135.2 155.25 50.99 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.985 1.314 . . . . 0.0 110.479 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.59 72.75 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -167.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.91 -10.13 59.2 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -84.36 -8.68 58.92 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 112.668 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.3 mt -89.45 152.62 21.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.183 1.393 . . . . 0.0 112.473 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.29 148.41 44.64 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.683 1.993 . . . . 0.0 110.366 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.4 p -71.12 165.2 24.05 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.4 1.08 . . . . 0.0 111.924 164.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.1 -31.17 71.47 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.58 0.752 . . . . 0.0 111.527 168.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -70.77 -42.88 69.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.478 1.111 . . . . 0.0 113.411 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.82 -13.83 61.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -100.29 -1.65 35.7 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.755 2.022 . . . . 0.0 112.642 170.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.95 34.53 89.16 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 124.915 1.245 . . . . 0.0 114.68 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.12 129.29 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.892 1.677 . . . . 0.0 108.52 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -101.51 -59.67 1.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.161 1.384 . . . . 0.0 111.4 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 p -150.69 157.91 43.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.349 1.059 . . . . 0.0 113.03 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.8 mp -112.32 130.02 56.09 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.751 1.62 . . . . 0.0 109.428 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.65 121.94 32.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.367 1.067 . . . . 0.0 111.167 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.6 -4.57 59.2 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.22 102.66 11.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 119.436 1.016 . . . . 0.0 110.248 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -98.41 157.78 15.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.248 1.419 . . . . 0.0 112.622 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -123.63 142.67 50.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 127.374 2.269 . . . . 0.0 109.129 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.86 145.51 34.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.43 0.559 . . . . 0.0 110.923 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.94 -26.7 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 C-N-CA 125.093 1.357 . . . . 0.0 113.46 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 32.02 65.15 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 128.006 2.522 . . . . 0.0 114.577 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.48 148.39 42.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.948 1.299 . . . . 0.0 114.178 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -70.86 127.65 33.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 166.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 43.5 mt -81.91 -41.07 21.41 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.875 0.87 . . . . 0.0 110.815 171.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 162.04 157.58 9.02 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 126.108 1.813 . . . . 0.0 111.481 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 50.86 32.21 7.01 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 125.952 1.701 . . . . 0.0 114.732 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.84 2.02 89.77 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 124.96 1.267 . . . . 0.0 115.888 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -84.1 133.39 34.63 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 119.418 1.609 . . . . 0.0 109.433 170.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 91.2 m -142.43 125.76 16.58 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.536 -0.728 . . . . 0.0 111.975 -162.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.56 122.95 44.1 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 109.321 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -90.88 -47.62 7.49 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 121.432 -0.793 . . . . 0.0 112.817 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -131.52 152.11 51.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.69 1.196 . . . . 0.0 111.55 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -134.7 141.74 46.61 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.742 1.617 . . . . 0.0 110.899 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.34 -157.48 7.17 Favored Glycine 0 C--N 1.341 0.809 0 C-N-CA 128.446 2.927 . . . . 0.0 110.583 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 80.8 p -146.98 166.46 26.74 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -123.75 147.83 47.16 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.0 1.32 . . . . 0.0 110.023 165.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.2 m -95.85 138.43 33.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.467 1.507 . . . . 0.0 110.347 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -101.88 158.54 16.06 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 126.672 1.989 . . . . 0.0 111.669 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 19.3 p -63.53 -24.76 67.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.496 1.118 . . . . 0.0 113.599 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -78.77 -9.34 59.4 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 171.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 99.36 -1.79 57.41 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 126.011 1.767 . . . . 0.0 116.487 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 69.3 p -79.25 167.47 20.9 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 119.559 1.679 . . . . 0.0 112.414 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.8 p -120.54 152.78 37.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.439 1.096 . . . . 0.0 111.71 170.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.48 154.76 45.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.988 1.315 . . . . 0.0 112.386 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -71.85 154.1 41.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 123.171 1.462 . . . . 0.0 113.918 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -145.81 166.05 27.05 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.435 1.894 . . . . 0.0 110.047 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.56 -178.7 45.59 Favored Glycine 0 N--CA 1.453 -0.221 0 N-CA-C 117.421 1.728 . . . . 0.0 117.421 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -102.78 106.17 16.72 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 128.006 2.523 . . . . 0.0 108.826 -172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 47.0 tp -129.13 116.48 19.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.912 1.285 . . . . 0.0 112.852 -158.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -82.32 119.19 23.81 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 124.45 1.1 . . . . 0.0 109.88 169.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -92.6 149.95 21.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.713 0.805 . . . . 0.0 111.487 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -75.64 141.37 42.81 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.898 0.879 . . . . 0.0 113.324 -172.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -141.57 149.85 41.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.67 1.588 . . . . 0.0 110.501 169.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.23 140.68 58.46 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.349 1.06 . . . . 0.0 112.424 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -68.04 -28.59 67.52 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.877 1.271 . . . . 0.0 113.792 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 87.3 mt -117.48 -23.82 7.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.077 1.351 . . . . 0.0 113.997 -165.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -67.32 161.1 25.79 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.596 1.158 . . . . 0.0 112.614 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.1 m -53.58 144.12 18.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.785 1.634 . . . . 0.0 113.411 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -88.29 170.46 10.96 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.502 0.721 . . . . 0.0 112.577 -168.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -144.03 -13.14 0.63 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.7 mt -123.48 5.51 8.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 126.162 1.785 . . . . 0.0 113.826 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.412 1.085 . . . . 0.0 113.285 -171.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.9 m -105.85 108.22 19.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.608 1.163 . . . . 0.0 110.947 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -134.28 108.0 7.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.387 1.875 . . . . 0.0 109.229 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.81 163.13 39.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.374 1.07 . . . . 0.0 113.628 -161.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.5 118.14 23.57 Favored 'General case' 0 C--O 1.225 -0.218 0 O-C-N 121.595 -0.691 . . . . 0.0 110.545 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.11 152.02 36.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.546 1.938 . . . . 0.0 113.859 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -123.41 140.27 53.18 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.261 2.224 . . . . 0.0 110.628 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -82.33 101.86 10.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.391 1.476 . . . . 0.0 110.428 169.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.53 -12.47 31.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -167.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -105.95 -14.75 15.1 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 120.304 1.411 . . . . 0.0 114.132 167.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.79 36.56 7.77 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 119.735 1.152 . . . . 0.0 115.614 170.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -127.33 16.04 7.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 119.275 1.537 . . . . 0.0 114.157 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.49 149.92 24.02 Favored Glycine 0 N--CA 1.44 -1.085 0 C-N-CA 126.835 2.16 . . . . 0.0 113.603 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.31 132.57 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 124.326 1.051 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -144.47 166.4 25.23 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.1 p -138.2 162.28 34.67 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.723 1.209 . . . . 0.0 113.987 -165.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.89 163.66 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 C-N-CA 127.22 2.208 . . . . 0.0 111.115 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.4 159.25 21.35 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.35 1.46 . . . . 0.0 111.791 167.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -81.34 126.28 31.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.473 -0.767 . . . . 0.0 110.621 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -141.64 170.34 15.91 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.831 2.053 . . . . 0.0 111.743 -174.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.32 -35.18 77.5 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 118.811 0.732 . . . . 0.0 113.716 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -129.78 83.48 2.14 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.093 1.757 . . . . 0.0 109.361 164.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -67.05 142.16 57.27 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.371 1.068 . . . . 0.0 112.685 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.74 -19.36 35.49 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 115.075 0.79 . . . . 0.0 115.075 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -66.35 -17.69 64.92 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.722 2.009 . . . . 0.0 115.527 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.9 tp -131.12 -25.74 2.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.337 1.055 . . . . 0.0 112.683 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -117.14 85.9 2.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 126.417 1.887 . . . . 0.0 109.614 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.08 -10.09 57.58 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 -160.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -72.81 -11.84 60.76 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.007 -1.058 . . . . 0.0 113.338 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.53 32.72 1.34 Allowed 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.726 1.61 . . . . 0.0 112.488 171.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -111.48 23.28 14.14 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 127.232 2.213 . . . . 0.0 112.959 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -82.68 156.03 24.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.312 1.845 . . . . 0.0 113.176 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.34 -128.73 8.61 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 125.225 1.393 . . . . 0.0 114.038 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.57 136.12 26.66 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 C-N-CA 124.834 1.254 . . . . 0.0 109.449 169.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -85.01 -2.42 57.95 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -170.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -125.82 154.08 43.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.311 1.445 . . . . 0.0 112.744 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.83 -175.69 5.42 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.414 1.486 . . . . 0.0 111.744 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -98.41 105.17 17.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.257 1.423 . . . . 0.0 112.294 174.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.59 -104.59 0.21 Allowed Glycine 0 C--N 1.34 0.8 0 O-C-N 121.663 -0.648 . . . . 0.0 114.003 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -129.98 170.42 13.99 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.883 1.673 . . . . 0.0 112.9 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.63 136.27 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 120.521 -1.362 . . . . 0.0 110.729 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 t -55.94 147.19 20.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.95 -7.56 36.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -85.88 -5.54 59.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.731 1.151 . . . . 0.0 113.559 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -121.16 -173.09 2.53 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 130.174 3.39 . . . . 0.0 111.767 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.64 175.63 45.03 Favored Glycine 0 C--N 1.334 0.458 0 O-C-N 120.51 -1.369 . . . . 0.0 116.366 177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -106.83 142.61 36.19 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.188 1.395 . . . . 0.0 112.786 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.9 tp -78.89 130.75 35.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.293 1.037 . . . . 0.0 111.092 171.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -146.92 160.19 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 C-N-CA 124.905 1.282 . . . . 0.0 113.053 -166.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -142.77 134.23 26.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.673 1.989 . . . . 0.0 110.18 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.74 125.76 29.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 118.551 0.614 . . . . 0.0 111.063 168.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.66 2.59 28.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 125.857 1.663 . . . . 0.0 114.707 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.29 8.27 3.97 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.43 24.6 76.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 116.299 1.28 . . . . 0.0 116.299 171.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -97.02 -2.44 43.41 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.562 1.545 . . . . 0.0 114.116 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.86 11.51 78.28 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 126.25 1.881 . . . . 0.0 115.081 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mm -131.76 150.0 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 126.59 1.956 . . . . 0.0 110.346 -170.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.9 mm -97.69 115.23 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 125.077 1.351 . . . . 0.0 109.192 170.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -148.72 1.29 0.58 Allowed 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -171.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -128.45 148.68 50.74 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 110.6 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.14 -30.91 78.94 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 -170.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.63 -7.29 58.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.49 -10.04 59.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 113.117 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.21 149.7 22.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 126.658 1.983 . . . . 0.0 110.622 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -70.6 146.61 49.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 121.51 -0.744 . . . . 0.0 110.35 165.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.25 -172.53 40.87 Favored Glycine 0 C--N 1.34 0.752 0 O-C-N 121.598 -0.689 . . . . 0.0 112.822 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.59 -32.9 67.63 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -83.07 1.65 39.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 m -67.71 130.96 44.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.538 1.063 . . . . 0.0 111.19 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HE2' ' HA2' ' A' ' 71' ' ' GLY . 76.9 tttt -91.86 138.71 31.32 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 124.582 1.153 . . . . 0.0 110.64 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.4 mt -89.76 162.39 15.56 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 125.627 1.571 . . . . 0.0 110.988 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.56 -17.9 60.97 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -90.29 -15.73 30.67 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.053 1.341 . . . . 0.0 113.486 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.435 ' HA2' ' HE2' ' A' ' 67' ' ' LYS . . . 110.81 -12.6 29.73 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.877 1.703 . . . . 0.0 116.79 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.7 m -69.17 164.78 21.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.245 1.523 . . . . 0.0 112.551 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.75 154.78 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 124.418 1.087 . . . . 0.0 111.852 171.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 161.65 29.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -170.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -73.92 -34.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.208 1.403 . . . . 0.0 112.88 171.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -175.69 175.14 2.1 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 130.167 3.387 . . . . 0.0 108.644 175.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.51 -28.72 73.55 Favored Glycine 0 N--CA 1.442 -0.917 0 O-C-N 120.441 -1.412 . . . . 0.0 115.407 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -36.68 57.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 118.56 1.18 . . . . 0.0 111.986 177.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.82 -33.27 74.46 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 121.235 -0.916 . . . . 0.0 112.881 172.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.61 92.74 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 121.3 -0.875 . . . . 0.0 112.009 170.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.89 -38.07 89.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 123.932 0.893 . . . . 0.0 112.836 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.35 67.72 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.73 -12.34 60.97 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.19 0.996 . . . . 0.0 113.577 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.03 1.81 57.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.238 1.415 . . . . 0.0 113.698 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -74.11 117.02 15.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 O-C-N 120.803 -1.185 . . . . 0.0 109.851 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -75.63 -37.69 59.51 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.245 -0.909 . . . . 0.0 112.579 -172.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -109.47 -12.56 14.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.83 17.94 69.03 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 119.801 1.182 . . . . 0.0 115.091 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -69.5 -3.14 13.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 119.515 1.658 . . . . 0.0 113.698 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 t30 72.77 21.08 3.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 126.668 1.987 . . . . 0.0 114.244 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.0 pt -132.23 149.51 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.919 1.287 . . . . 0.0 111.729 164.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -93.96 115.55 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 C-N-CA 124.458 1.103 . . . . 0.0 108.1 168.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -147.42 172.52 13.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 125.1 1.36 . . . . 0.0 111.555 -172.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.44 -23.7 51.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.41 -12.12 60.7 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 174.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -80.42 144.41 32.65 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 113.447 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.11 79.94 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -173.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.55 -16.41 60.82 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -60.52 -35.16 75.32 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.463 1.483 . . . . 0.0 114.37 -164.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -71.19 -18.85 62.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 p -79.62 -18.31 51.86 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.72 -1.238 . . . . 0.0 114.321 174.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.06 141.75 52.78 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.311 -0.868 . . . . 0.0 112.353 -174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -139.3 167.37 22.22 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.562 1.945 . . . . 0.0 110.362 168.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.3 t -129.24 134.28 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 109.189 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -109.95 123.4 49.56 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.187 1.395 . . . . 0.0 111.493 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -127.4 99.3 5.58 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.391 1.876 . . . . 0.0 110.764 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.48 135.1 33.9 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.958 1.303 . . . . 0.0 113.93 -168.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.0 mt -90.36 -32.63 16.39 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -116.01 -4.13 12.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 59.14 38.86 23.57 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.414 1.886 . . . . 0.0 114.614 171.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -91.04 -6.49 53.79 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 120.331 -1.481 . . . . 0.0 114.383 -176.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 90.16 6.53 68.9 Favored Glycine 0 C--N 1.339 0.732 0 C-N-CA 124.993 1.282 . . . . 0.0 115.783 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.59 146.57 32.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 C-N-CA 126.715 2.006 . . . . 0.0 109.188 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.1 p -92.93 154.84 17.95 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -121.88 159.63 26.43 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.148 1.779 . . . . 0.0 110.672 166.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.99 -21.17 64.62 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -73.48 -32.62 64.4 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 125.748 1.619 . . . . 0.0 113.626 171.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -81.36 -8.97 59.82 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.953 1.701 . . . . 0.0 113.333 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -102.94 126.46 50.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.864 1.266 . . . . 0.0 111.5 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -125.39 149.74 47.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.443 1.897 . . . . 0.0 111.301 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.0 p -86.7 160.76 18.74 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.04 1.336 . . . . 0.0 111.815 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.31 -38.77 81.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.188 171.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.56 -36.71 84.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 174.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -64.75 -27.48 68.93 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.405 -1.434 . . . . 0.0 111.941 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 74.4 mt -92.97 1.97 57.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.246 1.818 . . . . 0.0 113.3 173.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.19 15.96 66.14 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.363 1.459 . . . . 0.0 115.62 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 60.3 mt -78.96 129.13 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 125.806 1.642 . . . . 0.0 109.865 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -100.43 -36.1 9.33 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.526 1.53 . . . . 0.0 112.367 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -160.45 160.83 32.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 120.907 -1.121 . . . . 0.0 113.456 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.77 133.65 53.17 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.362 1.865 . . . . 0.0 109.662 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -87.88 136.66 32.86 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.686 1.195 . . . . 0.0 111.975 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.81 -0.97 38.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.122 1.369 . . . . 0.0 114.016 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.93 75.04 7.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.454 1.101 . . . . 0.0 110.711 169.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -95.71 165.08 12.48 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.602 1.161 . . . . 0.0 112.894 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -130.41 142.39 50.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.489 1.916 . . . . 0.0 110.432 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.05 129.44 36.08 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.986 0.812 . . . . 0.0 109.578 168.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.52 -25.92 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 117.544 -1.217 . . . . 0.0 113.352 -171.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 45.53 45.9 10.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 113.15 177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.46 130.81 35.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.576 1.95 . . . . 0.0 111.392 -161.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -78.44 131.54 36.95 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 124.34 1.056 . . . . 0.0 110.128 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.98 5.98 19.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.245 1.418 . . . . 0.0 112.944 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 91.78 155.17 31.53 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.4 1.476 . . . . 0.0 114.152 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.2 m120 53.09 34.06 16.4 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.232 1.813 . . . . 0.0 113.808 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.76 9.23 85.79 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.4 1.476 . . . . 0.0 115.579 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -88.41 136.11 33.14 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 119.429 1.614 . . . . 0.0 110.528 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.24 129.85 25.9 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.928 0.491 . . . . 0.0 111.843 -171.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.25 114.8 28.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.297 1.439 . . . . 0.0 110.155 173.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.85 -60.8 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.044 0.938 . . . . 0.0 112.524 -172.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 143.18 50.7 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.005 1.322 . . . . 0.0 112.753 174.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -134.66 138.78 44.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.136 1.774 . . . . 0.0 111.844 -160.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -147.82 -152.99 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.992 2.234 . . . . 0.0 111.507 171.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.8 m -141.95 166.53 24.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.127 1.371 . . . . 0.0 113.582 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -123.06 155.73 36.31 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.084 1.354 . . . . 0.0 110.543 164.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 79.2 m -112.14 140.37 46.89 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.172 1.789 . . . . 0.0 110.883 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -101.56 160.75 14.18 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 125.973 1.709 . . . . 0.0 113.644 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 73.0 p -59.87 -27.69 66.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -78.06 4.4 12.43 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.45 0.29 89.35 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.457 1.503 . . . . 0.0 116.048 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 81.2 p -77.43 158.26 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 119.303 1.552 . . . . 0.0 112.853 172.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 28.1 p -123.79 155.45 37.93 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.07 166.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.85 161.15 40.02 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.939 1.296 . . . . 0.0 111.12 169.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -79.1 153.01 30.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.504 1.122 . . . . 0.0 113.875 -167.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.5 ptm -149.96 158.88 44.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.738 1.615 . . . . 0.0 110.923 172.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.17 175.02 44.1 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 120.891 -1.131 . . . . 0.0 114.994 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -82.21 109.25 16.33 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.23 1.412 . . . . 0.0 109.131 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -115.39 130.75 56.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.994 1.718 . . . . 0.0 111.926 -165.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.0 tp -95.91 120.55 36.38 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.874 1.27 . . . . 0.0 109.987 166.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.67 134.3 35.84 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.412 0.685 . . . . 0.0 109.493 170.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.67 132.28 47.18 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.367 1.067 . . . . 0.0 112.424 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.96 136.15 40.04 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.725 0.81 . . . . 0.0 111.761 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -89.0 151.83 22.06 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.913 1.685 . . . . 0.0 112.967 -173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -78.12 60.27 2.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.118 0.967 . . . . 0.0 112.022 168.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 tp 53.38 63.27 2.28 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 127.801 2.44 . . . . 0.0 113.91 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -147.11 -24.6 0.4 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.7 m -96.8 -46.84 6.1 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -107.32 137.6 45.06 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.362 1.065 . . . . 0.0 111.459 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -118.16 -24.82 6.84 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.708 1.203 . . . . 0.0 113.534 171.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.39 165.3 9.93 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.651 1.18 . . . . 0.0 111.86 167.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.742 163.813 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.09 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.1 m 57.96 5.89 0.42 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 119.024 2.972 . . . . 0.0 119.024 171.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -109.16 124.79 51.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.283 1.433 . . . . 0.0 110.253 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -146.94 166.12 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.029 0.932 . . . . 0.0 113.29 -162.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.46 131.81 46.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.876 1.271 . . . . 0.0 109.868 163.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.53 49.43 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.934 1.294 . . . . 0.0 112.726 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.8 mp -118.35 137.32 53.18 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.241 2.216 . . . . 0.0 111.167 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -81.33 103.07 10.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 126.205 1.802 . . . . 0.0 111.035 171.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.45 -14.42 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -170.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -110.97 -8.74 14.46 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 173.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.74 24.46 25.51 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 165.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -119.36 13.75 12.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.926 1.29 . . . . 0.0 113.96 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.28 150.41 19.61 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 126.011 1.767 . . . . 0.0 113.249 -174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.5 mt -71.75 126.49 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 C-N-CA 125.043 1.337 . . . . 0.0 109.154 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -121.02 152.04 39.07 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.808 1.243 . . . . 0.0 114.306 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.4 p -138.86 164.57 29.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.106 1.763 . . . . 0.0 112.794 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -145.03 167.82 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 127.545 2.338 . . . . 0.0 111.874 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.42 149.1 27.83 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 121.604 -0.685 . . . . 0.0 110.471 153.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.4 p -113.13 -23.13 10.16 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.215 1.006 . . . . 0.0 113.475 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -159.01 172.26 18.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.381 1.872 . . . . 0.0 111.53 165.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.18 -153.49 5.62 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 125.672 1.606 . . . . 0.0 115.411 172.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -90.77 -20.59 22.21 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -169.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.4 p -68.0 137.8 55.38 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -170.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.59 166.07 45.0 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 124.618 1.104 . . . . 0.0 114.236 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.9 p -72.24 166.8 21.7 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.325 1.05 . . . . 0.0 112.523 172.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -101.13 -22.77 14.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 118.003 -0.998 . . . . 0.0 113.049 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -141.57 158.66 43.56 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.493 1.917 . . . . 0.0 112.42 -176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -76.82 139.17 40.24 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -82.99 146.76 28.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.065 1.346 . . . . 0.0 113.77 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.09 -18.89 61.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -170.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -85.54 144.05 28.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 120.229 1.377 . . . . 0.0 112.876 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.91 -35.34 79.73 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.699 1.2 . . . . 0.0 114.105 -171.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.96 -24.26 0.03 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 115.752 1.061 . . . . 0.0 115.752 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 mm -83.22 76.23 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-N 118.466 1.133 . . . . 0.0 109.389 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.46 167.05 28.29 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 112.196 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.285 81.4 p 50.7 41.55 26.18 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 127.117 2.167 . . . . 0.0 116.088 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.07 149.49 49.59 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.592 -0.693 . . . . 0.0 111.78 166.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.3 p -125.44 -7.77 6.93 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.176 1.39 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.97 150.33 22.19 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 126.138 1.827 . . . . 0.0 112.048 168.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -153.71 172.08 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.63 1.172 . . . . 0.0 111.893 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -74.37 150.52 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.071 0.948 . . . . 0.0 112.642 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 t -62.65 155.5 26.04 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 124.182 0.993 . . . . 0.0 113.208 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -18.33 63.0 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -87.28 -9.84 53.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.438 1.095 . . . . 0.0 113.919 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -115.88 -179.4 3.65 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 127.287 2.235 . . . . 0.0 112.23 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.71 161.44 32.28 Favored Glycine 0 N--CA 1.449 -0.472 0 O-C-N 120.347 -1.47 . . . . 0.0 116.014 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -95.18 143.82 26.29 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.283 1.433 . . . . 0.0 112.275 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.7 tp -82.72 125.33 31.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.766 0.826 . . . . 0.0 110.664 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.93 163.61 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 124.643 1.177 . . . . 0.0 113.444 -168.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -147.12 138.0 23.74 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -80.61 128.6 33.8 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.62 -5.05 18.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.284 1.834 . . . . 0.0 114.684 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -131.63 5.32 4.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.17 21.01 78.42 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -88.36 -10.23 50.05 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 119.053 1.426 . . . . 0.0 114.358 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.21 1.13 72.73 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.689 1.614 . . . . 0.0 116.236 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -135.82 161.77 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 125.534 1.533 . . . . 0.0 112.655 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.1 mm -99.04 102.57 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 126.308 1.843 . . . . 0.0 109.733 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -136.2 -25.85 1.18 Allowed 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -168.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -95.88 146.32 24.67 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 0.0 111.821 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.0 59.81 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.08 -6.18 58.51 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 119.391 1.595 . . . . 0.0 114.358 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.73 -3.4 58.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -168.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 mt -100.59 143.82 30.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.129 1.771 . . . . 0.0 110.77 170.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -78.12 106.13 9.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.009 -1.057 . . . . 0.0 111.862 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.52 -161.26 25.14 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 124.793 1.187 . . . . 0.0 112.368 -175.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.79 8.39 1.98 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -123.13 -8.69 8.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.831 1.652 . . . . 0.0 115.076 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -74.92 160.56 30.46 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 114.314 1.228 . . . . 0.0 114.314 -171.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -101.79 137.97 39.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.124 1.77 . . . . 0.0 111.401 176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.5 mt -90.66 169.44 10.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.065 1.746 . . . . 0.0 112.094 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.42 77.64 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 113.033 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -88.83 21.84 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.626 1.57 . . . . 0.0 114.033 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.43 -15.06 31.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 125.829 1.681 . . . . 0.0 116.102 169.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -66.63 153.78 42.22 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.584 1.154 . . . . 0.0 111.713 173.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -79.6 147.26 32.15 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.975 -1.078 . . . . 0.0 111.882 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.43 153.33 39.24 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.845 0.858 . . . . 0.0 112.881 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -81.44 -38.95 25.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 117.822 -1.085 . . . . 0.0 111.887 168.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -158.16 168.77 26.15 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.744 1.218 . . . . 0.0 113.368 174.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.5 92.29 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.832 1.206 . . . . 0.0 115.945 -171.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -64.91 -34.07 77.53 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 118.909 1.355 . . . . 0.0 112.671 175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.59 -42.88 81.79 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.786 1.176 . . . . 0.0 111.755 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.99 -32.55 73.92 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 tp -73.12 -41.21 64.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.261 1.025 . . . . 0.0 112.18 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.95 66.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -55.47 -34.8 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 118.515 0.598 . . . . 0.0 112.169 166.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -83.12 0.58 44.51 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 125.123 1.369 . . . . 0.0 114.323 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -79.2 103.44 9.14 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.194 0.997 . . . . 0.0 110.845 173.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.0 p -76.52 -25.08 53.77 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.246 1.419 . . . . 0.0 114.113 -166.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -111.25 -13.86 13.91 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 126.42 1.888 . . . . 0.0 114.692 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.38 28.28 60.11 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 120.277 1.399 . . . . 0.0 114.668 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -78.51 0.11 27.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 118.97 1.385 . . . . 0.0 113.533 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.263 7.0 t30 73.2 22.16 2.92 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 127.863 2.465 . . . . 0.0 114.361 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.0 pt -138.03 155.56 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.334 1.453 . . . . 0.0 111.761 168.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.1 mm -102.22 120.26 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 168.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -149.36 173.11 13.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.93 1.692 . . . . 0.0 112.15 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.86 60.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.5 -17.61 60.73 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 171.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -80.93 139.51 35.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.428 1.491 . . . . 0.0 111.953 166.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.47 -34.84 73.06 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.54 -21.97 63.11 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.05 -29.33 65.29 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.899 -1.125 . . . . 0.0 113.269 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.69 -24.13 36.41 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.1 p -100.29 -25.53 14.21 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 120.346 1.43 . . . . 0.0 114.266 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.35 147.15 51.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.148 1.379 . . . . 0.0 112.342 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -138.03 158.38 44.43 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.143 1.377 . . . . 0.0 111.967 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.75 132.64 59.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 124.943 1.297 . . . . 0.0 108.742 169.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -103.45 117.51 34.62 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 124.681 1.192 . . . . 0.0 110.567 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -115.56 101.64 9.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.747 1.619 . . . . 0.0 110.009 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -94.66 82.33 3.94 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.525 -172.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -66.36 -18.44 65.36 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 116.507 2.039 . . . . 0.0 116.507 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -95.33 -3.39 47.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 119.075 0.852 . . . . 0.0 113.113 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 59.07 52.66 6.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.551 1.94 . . . . 0.0 113.994 160.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -120.58 -15.4 8.48 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.99 13.48 83.63 Favored Glycine 0 C--N 1.34 0.751 0 O-C-N 121.003 -1.061 . . . . 0.0 114.545 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.99 126.3 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.608 1.563 . . . . 0.0 109.386 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -76.94 139.53 40.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.601 0.76 . . . . 0.0 113.01 -172.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -143.41 149.54 37.79 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.418 1.887 . . . . 0.0 109.927 168.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.27 -32.6 72.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -67.59 -10.04 48.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 114.076 176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -100.01 -2.86 33.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.475 1.51 . . . . 0.0 113.95 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.4 mt -98.11 127.69 44.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.045 1.338 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -125.31 148.23 48.8 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.22 1.808 . . . . 0.0 112.13 -169.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.4 p -75.66 163.03 27.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.301 1.04 . . . . 0.0 112.379 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.54 -40.47 76.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.212 -0.93 . . . . 0.0 111.604 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.16 -27.69 59.82 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.61 -23.55 62.58 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 120.429 1.468 . . . . 0.0 113.086 173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.03 -1.28 57.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.145 1.778 . . . . 0.0 112.518 173.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.76 27.28 73.64 Favored Glycine 0 CA--C 1.527 0.805 0 O-C-N 121.153 -0.967 . . . . 0.0 113.336 -177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.9 mt -80.26 128.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 119.097 1.449 . . . . 0.0 108.697 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -99.45 -39.55 8.3 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.974 0.91 . . . . 0.0 111.762 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.4 p -158.28 159.14 35.63 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 32.0 mt -101.71 138.57 38.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.242 1.417 . . . . 0.0 110.583 168.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -88.22 137.04 32.68 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.805 0.842 . . . . 0.0 111.642 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.57 12.86 30.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.672 1.189 . . . . 0.0 113.195 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.32 137.51 43.0 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.795 2.038 . . . . 0.0 113.086 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -153.76 167.46 29.54 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.196 1.798 . . . . 0.0 113.095 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -132.23 151.81 51.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.377 2.271 . . . . 0.0 111.577 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -75.39 133.2 41.23 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.208 1.003 . . . . 0.0 112.212 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.4 m -133.8 -32.47 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.8 m120 47.78 71.64 0.32 Allowed 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.501 1.92 . . . . 0.0 114.498 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -126.31 119.21 26.77 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.346 1.458 . . . . 0.0 111.725 -175.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.25 142.22 43.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 121.139 -0.975 . . . . 0.0 110.905 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.84 15.4 16.34 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 126.582 1.953 . . . . 0.0 113.256 -171.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 69.92 178.89 23.73 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 120.75 -1.219 . . . . 0.0 113.358 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 53.57 20.44 2.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.709 2.003 . . . . 0.0 115.186 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.38 1.68 88.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.075 1.322 . . . . 0.0 115.869 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -91.81 135.19 34.1 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 119.602 1.701 . . . . 0.0 111.649 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 94.3 m -138.5 137.35 37.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 O-C-N 121.056 -1.028 . . . . 0.0 111.7 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.0 tt -107.66 120.57 42.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.497 1.919 . . . . 0.0 110.28 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.62 -50.26 6.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.62 147.33 48.59 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.899 1.279 . . . . 0.0 111.125 -171.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -133.38 136.14 45.12 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.725 1.21 . . . . 0.0 111.977 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -134.26 -154.54 7.27 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 127.956 2.693 . . . . 0.0 110.425 172.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -134.04 167.88 19.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.794 1.237 . . . . 0.0 113.914 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -132.67 156.64 46.6 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.863 1.265 . . . . 0.0 110.693 158.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 91.5 m -101.62 132.59 47.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.157 1.383 . . . . 0.0 111.024 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -96.97 147.31 24.11 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.495 1.918 . . . . 0.0 110.548 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.2 p -61.25 -23.98 66.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -72.33 -1.37 15.17 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 97.53 -7.25 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 126.223 1.868 . . . . 0.0 115.685 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 37.0 p -93.45 176.18 6.48 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 118.358 1.079 . . . . 0.0 112.657 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -129.38 154.03 47.31 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -138.13 157.82 45.55 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 124.838 1.255 . . . . 0.0 112.195 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -75.9 144.48 41.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.05 0.94 . . . . 0.0 112.644 -172.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.0 ptm -143.22 161.65 37.7 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 125.059 1.344 . . . . 0.0 110.975 166.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.96 172.99 44.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.11 114.73 23.98 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 127.669 2.388 . . . . 0.0 111.6 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.16 145.01 46.35 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 126.098 1.759 . . . . 0.0 111.494 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 64.0 tp -109.9 124.99 52.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.821 1.648 . . . . 0.0 108.157 163.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.5 mt -105.66 151.98 23.71 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 125.182 1.393 . . . . 0.0 111.607 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -74.61 135.72 42.01 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -135.86 148.88 48.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.964 1.305 . . . . 0.0 111.39 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -63.49 136.33 57.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.302 1.041 . . . . 0.0 113.028 -164.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -141.93 128.14 19.79 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.564 1.945 . . . . 0.0 110.989 -173.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.11 -30.41 71.57 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.292 1.437 . . . . 0.0 114.066 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -75.22 -13.48 60.45 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.996 1.271 . . . . 0.0 113.342 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.2 m -94.84 3.07 55.43 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.684 1.594 . . . . 0.0 112.708 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -112.42 144.81 41.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 127.58 2.352 . . . . 0.0 110.036 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -136.79 132.69 35.05 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.01 1.324 . . . . 0.0 110.752 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 74.9 mt -100.28 163.29 12.46 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.012 0.925 . . . . 0.0 112.199 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.945 0 C-N-CA 128.141 2.576 . . . . 0.0 112.208 175.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.3 m -76.41 58.81 1.36 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.221 1.408 . . . . 0.0 111.845 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -88.45 127.69 35.52 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.866 1.666 . . . . 0.0 111.464 -175.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.64 172.86 15.42 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -166.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.0 mt -107.57 127.38 53.58 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.976 1.711 . . . . 0.0 110.076 159.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.38 149.24 40.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.489 1.916 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -119.04 138.63 52.72 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.583 1.953 . . . . 0.0 110.572 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -80.77 88.22 5.82 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.414 1.886 . . . . 0.0 110.829 174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.3 mt -79.91 -21.21 44.2 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 120.456 -1.403 . . . . 0.0 114.462 -165.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.1 p-10 -101.59 -3.54 28.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 171.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.77 42.81 16.08 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 116.137 1.215 . . . . 0.0 116.137 168.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -135.69 18.53 3.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.319 1.448 . . . . 0.0 113.882 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.63 155.94 24.33 Favored Glycine 0 C--O 1.223 -0.561 0 C-N-CA 126.716 2.103 . . . . 0.0 113.78 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.22 132.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 124.938 1.295 . . . . 0.0 109.276 175.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.64 154.68 35.82 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.558 1.543 . . . . 0.0 112.931 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.1 p -133.22 173.03 11.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 112.62 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -142.24 170.61 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 126.378 1.871 . . . . 0.0 111.024 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.2 147.98 44.21 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.998 -1.064 . . . . 0.0 112.164 161.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.4 m -67.74 120.65 14.45 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.399 1.08 . . . . 0.0 111.984 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.2 tttt 49.21 47.48 22.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.082 1.753 . . . . 0.0 114.047 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.65 -143.51 46.97 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.44 1.019 . . . . 0.0 113.292 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -137.64 162.37 34.0 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.364 1.466 . . . . 0.0 112.09 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.3 t -63.98 129.61 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 125.969 1.708 . . . . 0.0 112.126 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.7 19.05 79.69 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 116.457 1.343 . . . . 0.0 116.457 169.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 m -61.93 134.68 56.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 -171.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.9 tp -94.01 -24.31 17.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.898 1.679 . . . . 0.0 113.78 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -133.97 -34.08 1.01 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.167 1.787 . . . . 0.0 113.504 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.31 173.49 12.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.539 1.936 . . . . 0.0 111.273 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -66.93 135.77 54.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 120.462 -1.399 . . . . 0.0 111.31 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -92.5 112.38 24.3 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.386 1.075 . . . . 0.0 111.264 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -67.3 132.9 48.63 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.773 2.029 . . . . 0.0 110.768 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -95.06 -15.6 23.32 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.41 156.66 20.56 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 126.264 1.888 . . . . 0.0 111.309 175.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 pt -84.0 160.15 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -120.86 170.92 9.02 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.885 2.074 . . . . 0.0 110.677 164.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.9 p -68.48 -29.69 68.37 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.211 1.004 . . . . 0.0 112.43 169.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.05 122.44 24.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.701 1.2 . . . . 0.0 111.16 168.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -97.56 -21.67 16.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.788 1.235 . . . . 0.0 113.779 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -127.07 156.58 20.35 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 124.667 1.127 . . . . 0.0 113.568 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -143.14 171.57 13.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.821 1.648 . . . . 0.0 112.498 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.6 141.28 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 C-N-CA 125.2 1.4 . . . . 0.0 110.873 172.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.7 t -64.11 155.51 31.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.612 0.765 . . . . 0.0 112.902 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.68 -28.28 60.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -85.59 -8.14 58.45 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 125.99 1.716 . . . . 0.0 114.547 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -121.1 -173.21 2.56 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 127.928 2.491 . . . . 0.0 112.467 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.06 166.72 38.88 Favored Glycine 0 N--CA 1.447 -0.576 0 O-C-N 121.114 -0.991 . . . . 0.0 115.122 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.83 141.5 28.56 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.971 1.309 . . . . 0.0 112.113 177.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.5 tp -75.52 127.39 32.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.643 0.377 . . . . 0.0 109.987 166.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.2 m -142.4 160.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 124.067 0.947 . . . . 0.0 112.626 -169.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -149.56 119.19 6.98 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.519 1.127 . . . . 0.0 109.222 166.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -68.08 128.39 36.35 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 170.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -104.87 -2.98 23.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -167.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -134.34 17.4 3.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.5 21.89 71.41 Favored Glycine 0 C--N 1.341 0.824 0 O-C-N 120.766 -1.209 . . . . 0.0 115.859 164.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.52 -10.69 14.86 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 118.842 1.321 . . . . 0.0 114.074 177.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.8 17.22 76.62 Favored Glycine 0 C--N 1.34 0.801 0 CA-C-O 118.592 -1.116 . . . . 0.0 115.821 173.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.2 mm -122.75 128.92 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 125.916 1.686 . . . . 0.0 107.948 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.33 108.93 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -141.14 -23.55 0.75 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -173.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -95.19 144.75 25.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 119.854 1.206 . . . . 0.0 110.718 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -23.6 46.9 Favored Glycine 0 C--N 1.334 0.449 0 N-CA-C 115.151 0.82 . . . . 0.0 115.151 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.4 -15.58 60.92 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -84.53 -7.95 59.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.126 1.37 . . . . 0.0 113.682 -175.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.11 171.37 15.29 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.313 1.445 . . . . 0.0 110.767 160.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -95.86 107.04 19.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 156.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.49 -179.95 39.53 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 124.99 1.281 . . . . 0.0 112.292 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -71.94 7.12 1.72 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -175.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -120.83 9.98 10.8 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 127.191 2.196 . . . . 0.0 113.0 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.4 m -79.88 143.32 34.39 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.76 2.024 . . . . 0.0 112.948 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -99.01 143.46 29.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.054 1.742 . . . . 0.0 112.249 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.3 mt -98.3 162.75 13.02 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 126.96 2.104 . . . . 0.0 111.865 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -27.57 68.91 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.818 -1.176 . . . . 0.0 113.358 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -72.36 -8.82 56.99 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.615 -1.303 . . . . 0.0 113.58 172.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.48 -13.21 61.42 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 125.532 1.539 . . . . 0.0 114.708 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 p -75.97 170.18 16.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 120.284 2.042 . . . . 0.0 112.78 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -102.84 153.52 20.11 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.647 1.179 . . . . 0.0 112.601 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.29 153.34 36.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.03 0.932 . . . . 0.0 112.342 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -88.88 -26.26 21.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.266 1.826 . . . . 0.0 112.953 164.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.66 129.66 21.96 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.642 1.977 . . . . 0.0 111.281 -179.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.12 -30.92 61.32 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.988 1.28 . . . . 0.0 115.799 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.45 -32.44 58.43 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.816 1.308 . . . . 0.0 112.022 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.74 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.164 -0.96 . . . . 0.0 112.996 173.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -25.34 67.73 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 169.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.37 -41.92 17.63 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.081 1.352 . . . . 0.0 112.277 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.22 67.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.285 1.034 . . . . 0.0 113.766 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -56.53 -21.25 24.89 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.934 2.494 . . . . 0.0 114.667 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.33 -8.75 28.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -65.48 129.05 38.36 Favored 'General case' 0 CA--C 1.519 -0.241 0 O-C-N 121.153 -0.967 . . . . 0.0 111.167 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -92.2 -33.04 14.85 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.605 1.962 . . . . 0.0 115.884 -173.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -112.0 -12.63 13.7 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 125.391 1.476 . . . . 0.0 114.066 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.59 38.41 24.47 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 119.916 1.235 . . . . 0.0 114.127 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -94.93 1.31 55.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.471 1.108 . . . . 0.0 112.884 176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.0 t30 61.69 25.82 15.62 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 128.353 2.661 . . . . 0.0 114.982 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 24.7 pt -133.32 153.46 37.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 C-N-CA 124.531 1.132 . . . . 0.0 111.792 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -102.9 114.81 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 C-N-CA 123.903 0.881 . . . . 0.0 108.639 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -144.57 169.77 17.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.779 1.632 . . . . 0.0 111.8 -171.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -17.66 59.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -168.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.8 -18.07 58.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -70.75 126.18 28.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 119.746 1.157 . . . . 0.0 111.243 167.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.84 68.72 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 120.773 -1.204 . . . . 0.0 113.927 -172.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.8 65.07 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -64.58 -31.46 72.69 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.693 -1.254 . . . . 0.0 114.223 -168.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -66.09 -22.45 66.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 119.659 1.118 . . . . 0.0 113.818 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.1 p -85.15 -17.02 38.5 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.6 mt -75.27 139.32 42.45 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.549 0.74 . . . . 0.0 111.08 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -135.29 166.21 23.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.617 1.167 . . . . 0.0 111.744 176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -125.0 136.04 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.542 1.137 . . . . 0.0 109.558 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -107.99 106.23 16.38 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.691 1.596 . . . . 0.0 110.619 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -107.34 100.29 9.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.865 1.266 . . . . 0.0 108.547 170.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -68.02 131.11 44.87 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.341 0.656 . . . . 0.0 110.568 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.4 -27.15 38.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -116.78 -5.04 11.57 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 115.913 1.819 . . . . 0.0 115.913 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 56.37 48.55 16.78 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.859 2.063 . . . . 0.0 114.623 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -97.86 -12.5 22.07 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 113.574 0.954 . . . . 0.0 113.574 172.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.63 16.44 77.76 Favored Glycine 0 C--N 1.331 0.305 0 O-C-N 120.974 -1.079 . . . . 0.0 113.908 -177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.7 mm -99.98 128.43 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 161.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 t -86.18 147.9 25.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 122.819 0.448 . . . . 0.0 111.532 -173.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -134.19 149.89 51.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.329 1.052 . . . . 0.0 110.049 171.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.4 -37.21 69.83 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.309 1.044 . . . . 0.0 112.392 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -64.61 -22.5 66.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.22 1.192 . . . . 0.0 114.22 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.5 -1.17 57.38 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.172 1.389 . . . . 0.0 113.369 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -105.73 142.52 35.31 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 125.488 1.515 . . . . 0.0 112.226 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -142.62 151.76 41.79 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 125.829 1.652 . . . . 0.0 111.263 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -78.31 161.57 27.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.529 0.732 . . . . 0.0 111.556 168.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.35 -36.67 81.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.835 -1.166 . . . . 0.0 112.468 -170.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.64 -15.92 60.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.57 -32.81 68.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 120.365 1.439 . . . . 0.0 111.586 166.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.26 -6.53 56.73 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.125 1.37 . . . . 0.0 114.106 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.4 18.89 78.83 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 124.057 0.837 . . . . 0.0 114.739 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -80.03 121.35 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 118.518 1.159 . . . . 0.0 108.608 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -89.43 -49.07 6.91 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.061 0.944 . . . . 0.0 112.188 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 81.3 p -156.72 157.33 34.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.8 mt -106.88 147.01 30.3 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.51 1.924 . . . . 0.0 109.824 172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -93.51 138.24 31.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 124.135 0.974 . . . . 0.0 111.98 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.7 mt -94.55 -10.74 31.19 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.273 1.029 . . . . 0.0 113.59 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.26 130.82 34.52 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 124.443 1.097 . . . . 0.0 111.534 172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -148.94 164.62 34.01 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.736 1.214 . . . . 0.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -128.16 151.19 49.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 128.268 2.627 . . . . 0.0 110.057 -174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.85 132.43 40.34 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.934 0.894 . . . . 0.0 111.965 172.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.4 -29.62 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 C-N-CA 124.975 1.31 . . . . 0.0 113.385 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 m120 46.12 55.62 7.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 126.612 1.965 . . . . 0.0 114.47 170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -118.45 136.44 53.79 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 126.444 1.898 . . . . 0.0 112.227 -161.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -81.07 136.24 35.92 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.907 1.283 . . . . 0.0 111.273 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.7 mt -112.4 15.8 20.14 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.153 1.781 . . . . 0.0 114.228 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 76.62 168.21 27.61 Favored Glycine 0 CA--C 1.527 0.812 0 O-C-N 121.156 -0.965 . . . . 0.0 113.165 -173.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.3 m120 49.18 22.02 0.59 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.581 1.952 . . . . 0.0 116.097 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 84.77 7.33 84.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 126.1 1.809 . . . . 0.0 115.791 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -85.75 144.74 27.6 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 119.676 1.738 . . . . 0.0 111.944 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.4 m -139.99 130.84 26.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.049 0.939 . . . . 0.0 112.582 -172.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 31.0 tp -104.43 119.24 38.52 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 126.5 1.92 . . . . 0.0 110.323 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.6 -56.08 3.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.42 1.088 . . . . 0.0 112.19 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -136.74 150.79 48.61 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.943 1.697 . . . . 0.0 111.565 -171.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -139.92 137.9 35.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.849 1.259 . . . . 0.0 112.869 -172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -138.1 -152.26 6.0 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 128.203 2.811 . . . . 0.0 110.415 170.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 75.6 m -138.0 166.63 23.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -176.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -137.5 162.06 34.7 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.516 1.126 . . . . 0.0 110.953 166.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 93.6 m -120.66 138.64 53.83 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.255 1.822 . . . . 0.0 111.861 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -98.21 159.74 14.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.15 1.38 . . . . 0.0 111.923 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.8 p -65.28 -17.5 64.56 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -82.42 -4.86 58.14 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 170.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.58 69.8 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 125.621 1.581 . . . . 0.0 115.109 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 67.7 p -73.79 152.65 40.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.757 1.779 . . . . 0.0 111.834 173.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.2 p -126.48 153.44 45.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.647 1.179 . . . . 0.0 111.925 -178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -153.42 168.48 25.94 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.188 1.395 . . . . 0.0 111.461 176.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -74.62 155.46 37.79 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 28.8 ptm -139.79 158.56 43.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.091 0.957 . . . . 0.0 109.869 158.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -171.22 166.86 39.99 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 117.168 1.627 . . . . 0.0 117.168 -176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -84.53 108.89 17.54 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.347 2.259 . . . . 0.0 110.712 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -123.48 137.59 54.75 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.549 1.54 . . . . 0.0 110.754 -166.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 62.6 tp -113.42 107.09 15.38 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.241 1.816 . . . . 0.0 108.958 173.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.45 150.08 36.74 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.162 0.585 . . . . 0.0 111.112 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.28 146.62 47.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -172.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -133.65 162.74 31.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.242 1.817 . . . . 0.0 113.039 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.51 130.51 40.81 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -93.67 -33.99 13.45 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.374 1.47 . . . . 0.0 113.352 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.49 -46.47 89.89 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.774 1.23 . . . . 0.0 112.909 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -132.42 -27.93 1.71 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.872 1.269 . . . . 0.0 113.126 -175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 m 58.43 -3.93 0.07 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 128.26 2.624 . . . . 0.0 117.193 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -126.36 -5.4 6.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.975 1.71 . . . . 0.0 114.596 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.76 130.97 34.41 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 119.447 1.021 . . . . 0.0 112.61 -172.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -145.81 147.26 31.66 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 126.112 1.765 . . . . 0.0 112.083 170.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.248 0.982 0 C-N-CA 125.872 1.669 . . . . 0.0 113.729 -178.675 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.54 0 CA-C-O 119.305 -0.719 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.5 m -150.37 20.36 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 120.775 2.287 . . . . 0.0 114.954 8.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -123.01 174.65 7.06 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.157 -1.589 . . . . 0.0 113.463 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -150.8 173.01 14.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 127.609 2.364 . . . . 0.0 112.306 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 tp -121.49 127.32 50.93 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.609 1.564 . . . . 0.0 107.953 164.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.06 153.9 51.89 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.8 1.24 . . . . 0.0 113.572 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 mp -113.07 139.3 48.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.103 1.761 . . . . 0.0 110.128 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.38 106.08 13.06 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 123.932 0.893 . . . . 0.0 109.362 166.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.22 -29.68 18.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -97.3 -11.5 24.01 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 114.127 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.34 40.95 5.62 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.137 0.815 . . . . 0.0 115.137 170.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -137.08 20.19 3.0 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 124.525 1.13 . . . . 0.0 113.789 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.23 154.32 30.28 Favored Glycine 0 C--N 1.341 0.819 0 C-N-CA 126.166 1.841 . . . . 0.0 112.619 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.9 mt -71.52 130.52 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 O-C-N 121.425 -1.044 . . . . 0.0 109.509 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -119.95 151.19 39.31 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.379 1.071 . . . . 0.0 113.073 -174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.6 p -140.8 158.06 44.5 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.523 1.529 . . . . 0.0 112.29 -176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 m -140.49 155.27 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.338 1.855 . . . . 0.0 111.992 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.49 145.09 35.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.955 0.502 . . . . 0.0 110.824 165.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -126.07 155.29 41.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.705 0.802 . . . . 0.0 112.817 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -77.71 52.0 0.97 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.321 1.448 . . . . 0.0 114.7 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.18 166.47 28.99 Favored Glycine 0 C--N 1.336 0.533 0 O-C-N 121.164 -0.96 . . . . 0.0 115.262 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -117.92 163.09 17.07 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 127.132 2.173 . . . . 0.0 112.297 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.6 p -140.95 -20.92 0.79 Allowed 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.55 -37.64 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.031 1.3 . . . . 0.0 113.684 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 98.7 p -83.97 -36.43 23.23 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.548 1.539 . . . . 0.0 113.308 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt 52.91 22.33 2.35 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.238 2.215 . . . . 0.0 115.093 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -66.78 116.09 7.29 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.234 1.013 . . . . 0.0 111.605 -170.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 48.66 24.17 0.75 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -169.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -84.55 160.03 20.56 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.434 -1.416 . . . . 0.0 114.47 -171.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -63.82 155.08 31.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.401 1.48 . . . . 0.0 113.996 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -83.26 -11.7 57.5 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -124.26 139.7 53.67 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.731 1.212 . . . . 0.0 112.952 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.0 167.01 11.35 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.646 1.593 . . . . 0.0 114.034 169.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.34 -30.79 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 125.269 1.427 . . . . 0.0 113.363 -172.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 48.81 48.78 19.9 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.832 2.053 . . . . 0.0 114.592 170.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.7 p -110.5 -26.39 9.52 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.67 176.34 9.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.238 1.415 . . . . 0.0 112.563 -176.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.5 p -110.42 -30.4 7.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.338 1.855 . . . . 0.0 112.652 167.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.58 168.44 53.71 Favored Glycine 0 C--N 1.341 0.816 0 O-C-N 121.458 -0.776 . . . . 0.0 113.097 163.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -153.76 171.67 18.53 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.829 1.251 . . . . 0.0 112.047 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.77 137.22 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 125.92 1.688 . . . . 0.0 110.577 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -61.4 156.99 17.78 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.926 1.29 . . . . 0.0 113.743 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.18 -9.14 36.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -172.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -91.72 -13.72 31.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.72 1.608 . . . . 0.0 113.539 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -119.13 176.42 5.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 127.551 2.341 . . . . 0.0 111.798 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.04 159.77 30.26 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.334 -1.479 . . . . 0.0 116.217 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 mp -88.3 142.07 28.03 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.023 1.729 . . . . 0.0 111.31 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.8 tp -80.34 128.49 33.61 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.284 1.033 . . . . 0.0 109.997 169.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 m -147.48 160.8 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 125.325 1.45 . . . . 0.0 112.725 -167.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -144.7 133.75 22.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 126.068 1.747 . . . . 0.0 111.499 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -79.05 126.33 30.56 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.006 0.523 . . . . 0.0 110.644 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -106.89 1.02 24.32 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.799 1.239 . . . . 0.0 114.102 -176.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.44 15.03 4.1 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.26 41.91 99.72 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-O 118.703 -1.054 . . . . 0.0 115.532 168.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -109.36 -5.33 15.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.957 1.703 . . . . 0.0 113.775 174.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.8 13.07 80.82 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 124.955 1.264 . . . . 0.0 115.095 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.9 mt -133.11 149.56 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 126.631 1.972 . . . . 0.0 108.787 -172.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.3 mm -94.86 120.7 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 O-C-N 121.159 -0.963 . . . . 0.0 109.157 171.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -150.77 3.5 0.47 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -135.22 144.49 46.95 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.924 1.29 . . . . 0.0 110.71 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.04 59.93 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 -176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.93 -15.87 63.36 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.6 -3.95 58.14 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.601 1.561 . . . . 0.0 113.676 -175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.49 161.15 13.91 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 126.358 1.863 . . . . 0.0 110.425 167.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.28 141.22 29.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.737 164.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.88 -158.13 28.69 Favored Glycine 0 C--N 1.342 0.865 0 O-C-N 121.703 -0.623 . . . . 0.0 114.553 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.31 -19.2 63.88 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -83.21 -16.24 47.27 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.993 -1.067 . . . . 0.0 112.45 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.8 m -66.24 134.66 53.14 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 119.788 1.176 . . . . 0.0 111.874 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -108.61 160.7 15.72 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.953 1.701 . . . . 0.0 111.641 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -90.09 168.17 12.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.302 1.441 . . . . 0.0 110.456 168.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.23 3.31 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -95.41 -2.14 49.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 126.293 1.837 . . . . 0.0 113.863 172.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.87 2.7 86.23 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 125.364 1.459 . . . . 0.0 115.837 -175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -83.62 153.8 24.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 118.917 1.358 . . . . 0.0 112.024 173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -74.76 134.88 41.77 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.616 -1.303 . . . . 0.0 111.807 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.36 59.23 2.29 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.631 1.573 . . . . 0.0 113.149 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -82.65 -25.73 32.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -164.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -67.63 143.87 55.81 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 120.237 1.381 . . . . 0.0 111.805 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.52 110.94 3.14 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-O 119.003 -0.887 . . . . 0.0 112.575 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.28 80.14 1.94 Allowed 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 122.31 3.055 . . . . 0.0 109.647 -3.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.68 69.23 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -161.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.89 -23.65 66.69 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 176.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.82 -27.37 21.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.768 0.827 . . . . 0.0 112.621 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 -20.48 66.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.93 -17.41 63.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 168.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.07 -12.75 19.42 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.44 -1.413 . . . . 0.0 114.672 -167.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.57 127.7 33.47 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.187 0.995 . . . . 0.0 110.992 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.2 p -82.03 -44.92 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.319 1.048 . . . . 0.0 113.631 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -108.76 -8.87 15.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 125.585 1.554 . . . . 0.0 114.276 -166.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.56 28.43 57.42 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-O 118.889 -0.951 . . . . 0.0 114.574 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -81.73 -3.21 53.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 119.059 1.43 . . . . 0.0 112.47 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.4 t30 68.82 22.8 7.11 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.666 1.986 . . . . 0.0 114.877 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.8 pt -133.64 150.52 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 111.844 170.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.7 mm -98.98 110.01 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 171.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -139.24 172.66 12.51 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.053 0.941 . . . . 0.0 112.109 -169.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.65 -16.05 9.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -171.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.87 -25.35 43.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 172.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -72.54 140.32 48.07 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 119.98 1.264 . . . . 0.0 112.072 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.98 73.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 120.863 -1.148 . . . . 0.0 112.869 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.11 -23.9 56.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.52 -30.87 71.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.331 0.969 . . . . 0.0 112.384 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -82.65 -15.28 52.64 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 123.822 0.849 . . . . 0.0 113.243 173.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.9 m -93.64 -32.09 14.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.829 1.252 . . . . 0.0 113.55 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.32 150.36 41.93 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 124.473 1.109 . . . . 0.0 112.251 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -135.01 166.42 23.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.282 1.433 . . . . 0.0 110.726 172.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.6 129.15 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 125.069 1.348 . . . . 0.0 109.329 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -105.97 123.45 48.01 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.392 1.077 . . . . 0.0 111.651 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -124.05 99.19 6.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.885 2.074 . . . . 0.0 109.379 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.61 125.55 34.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.145 0.978 . . . . 0.0 111.395 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.0 mt -86.64 -14.78 41.68 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -172.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -117.53 -11.88 10.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.05 1.34 . . . . 0.0 114.55 171.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 54.33 52.5 12.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 127.475 2.31 . . . . 0.0 113.786 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -107.69 7.75 28.63 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.21 1.404 . . . . 0.0 113.604 -174.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.71 6.7 88.39 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 118.345 -1.253 . . . . 0.0 115.739 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.5 mt -119.37 128.84 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.981 1.391 . . . . 0.0 109.052 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.8 t -101.03 157.46 16.74 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.021 1.328 . . . . 0.0 112.766 -173.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -143.74 158.5 43.64 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 126.442 1.897 . . . . 0.0 109.524 176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.26 -31.22 70.01 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.596 -1.315 . . . . 0.0 113.276 172.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -69.5 -17.78 63.63 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 171.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -96.22 -11.74 25.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.556 1.142 . . . . 0.0 113.501 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.5 mt -90.03 150.4 22.12 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.485 1.114 . . . . 0.0 111.212 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -135.22 152.75 51.85 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 126.659 1.984 . . . . 0.0 110.371 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.8 p -82.71 158.55 22.86 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.386 1.475 . . . . 0.0 111.174 163.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.84 -37.35 84.31 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.1 -1.0 . . . . 0.0 111.392 174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.44 -46.43 88.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.89 1.676 . . . . 0.0 113.655 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.72 -20.45 61.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -80.85 7.88 9.49 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.354 . . . . 0.0 112.199 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.74 12.47 70.65 Favored Glycine 0 C--N 1.336 0.548 0 O-C-N 121.06 -1.025 . . . . 0.0 113.819 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 49.4 mt -78.02 143.44 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 119.172 1.486 . . . . 0.0 108.885 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -121.4 -35.6 3.23 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.779 1.232 . . . . 0.0 111.843 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -146.22 158.09 43.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.275 1.43 . . . . 0.0 112.537 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -128.56 144.3 51.12 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 127.033 2.133 . . . . 0.0 109.752 169.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -77.79 148.27 34.86 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.42 0.628 . . . . 0.0 112.565 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.27 -10.64 27.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.386 1.075 . . . . 0.0 111.674 162.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.7 131.51 35.2 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.67 1.188 . . . . 0.0 113.025 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.23 173.06 8.59 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 127.204 2.202 . . . . 0.0 112.621 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -140.77 141.21 34.85 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.339 2.256 . . . . 0.0 109.864 170.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -78.9 123.66 27.47 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 119.172 0.896 . . . . 0.0 111.58 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.2 -30.23 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 52.82 52.81 13.21 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 124.906 1.282 . . . . 0.0 114.313 173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -107.81 153.84 22.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 126.757 2.023 . . . . 0.0 114.102 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 142' ' ' GLY . 11.9 t-20 -96.21 133.83 40.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.096 1.358 . . . . 0.0 113.123 -177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.5 mt -111.49 2.3 17.39 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.882 1.273 . . . . 0.0 113.453 175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.409 ' H ' ' ND2' ' A' ' 140' ' ' ASN . . . 84.45 165.39 39.37 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 114.343 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 50.02 27.36 2.43 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 115.15 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 91.81 -0.18 72.95 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 125.759 1.647 . . . . 0.0 115.592 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -87.94 137.5 32.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 119.513 1.657 . . . . 0.0 112.411 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.9 m -131.4 128.37 39.42 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.674 1.19 . . . . 0.0 112.168 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.1 105.27 17.54 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.369 1.868 . . . . 0.0 109.2 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.35 9.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.371 -0.831 . . . . 0.0 112.492 -175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -137.43 146.48 44.43 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.899 1.28 . . . . 0.0 112.045 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.76 137.53 54.89 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 126.216 1.807 . . . . 0.0 111.133 -171.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.51 -164.17 11.06 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 126.647 2.07 . . . . 0.0 111.601 172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 29.4 t -138.78 151.08 46.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.222 -1.163 . . . . 0.0 113.241 -172.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -123.93 157.18 34.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.769 1.228 . . . . 0.0 112.317 164.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.7 m -121.24 130.32 53.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.603 1.561 . . . . 0.0 110.192 -172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 161' ' ' ALA . 87.4 mttt -90.55 164.2 14.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.71 1.204 . . . . 0.0 112.271 -177.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.4 p -61.66 -25.99 67.73 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -77.43 9.21 3.41 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.026 1.33 . . . . 0.0 114.202 171.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.66 -11.01 58.08 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 126.508 2.004 . . . . 0.0 115.518 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 36.6 p -85.39 155.72 21.17 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.173 1.389 . . . . 0.0 113.438 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.6 p -105.55 155.71 18.93 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.176 1.391 . . . . 0.0 113.422 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.4 ' HB2' ' HE3' ' A' ' 155' ' ' LYS . . . -149.95 158.94 44.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.673 1.589 . . . . 0.0 112.076 -169.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -89.61 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -166.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.48 160.74 41.71 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.902 1.281 . . . . 0.0 112.108 167.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.78 167.91 40.33 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 117.561 1.784 . . . . 0.0 117.561 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -92.51 109.35 20.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.429 2.291 . . . . 0.0 110.248 -172.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.59 113.61 27.23 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.393 1.477 . . . . 0.0 111.192 -172.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 55.9 tp -83.74 106.17 15.23 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 165.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.2 mt -77.54 150.52 34.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 123.853 0.861 . . . . 0.0 110.322 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -59.42 140.36 56.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.453 168.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -143.99 157.47 44.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.359 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.85 133.38 46.44 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.441 1.496 . . . . 0.0 111.999 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -87.13 -27.55 23.02 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.795 1.238 . . . . 0.0 113.295 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.32 154.66 41.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 119.674 1.124 . . . . 0.0 111.536 172.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -135.94 145.76 46.58 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.605 1.162 . . . . 0.0 113.381 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.6 t -152.9 162.56 41.15 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.078 1.351 . . . . 0.0 111.962 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -145.26 150.53 36.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.8 2.04 . . . . 0.0 111.414 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.36 114.87 6.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.573 0.749 . . . . 0.0 110.307 159.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.6 mt -129.33 133.89 47.65 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 110.769 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.37 1.868 . . . . 0.0 112.982 -179.374 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.096 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 56.0 p -122.6 -28.41 4.22 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.712 1.605 . . . . 0.0 114.6 -171.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.82 136.99 26.06 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.105 1.762 . . . . 0.0 109.898 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.34 168.38 24.96 Favored 'General case' 0 C--N 1.343 0.324 0 C-N-CA 122.732 0.413 . . . . 0.0 111.907 -176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -102.12 125.53 48.83 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 107.851 165.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.74 144.67 43.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.178 1.391 . . . . 0.0 111.37 -176.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -114.43 135.42 54.12 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.32 1.848 . . . . 0.0 110.817 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -76.42 105.85 7.71 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.002 1.321 . . . . 0.0 109.309 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.5 mt -89.77 -27.15 20.2 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -171.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -105.38 -5.87 20.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.21 31.15 9.28 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 117.056 1.583 . . . . 0.0 117.056 166.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -125.84 20.59 7.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.278 1.539 . . . . 0.0 113.693 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.12 160.32 35.94 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 126.581 2.039 . . . . 0.0 113.36 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.59 131.13 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 124.854 1.262 . . . . 0.0 109.277 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -129.82 150.36 51.15 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.214 1.405 . . . . 0.0 112.247 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 p -135.15 156.57 48.77 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.98 132.81 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 127.502 2.321 . . . . 0.0 109.844 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.85 154.45 48.04 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 -176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -118.04 165.9 13.18 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.306 1.842 . . . . 0.0 111.455 172.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -123.75 153.26 41.17 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.266 1.426 . . . . 0.0 112.336 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.09 154.51 43.06 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 123.775 0.702 . . . . 0.0 112.641 167.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -152.59 152.98 32.47 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.415 1.486 . . . . 0.0 110.132 167.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -57.36 126.4 27.09 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.637 0.775 . . . . 0.0 112.558 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.05 -31.86 1.31 Allowed Glycine 0 N--CA 1.44 -1.089 0 C-N-CA 126.274 1.892 . . . . 0.0 116.751 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -64.44 -21.08 66.54 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.7 mt -92.59 -3.81 54.42 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 119.601 1.091 . . . . 0.0 113.812 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.38 148.37 29.36 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 119.959 1.254 . . . . 0.0 111.599 168.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -139.85 163.01 33.79 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.115 1.366 . . . . 0.0 111.686 174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -99.04 -2.34 37.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.182 1.393 . . . . 0.0 114.719 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -149.7 6.07 0.62 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.974 2.213 . . . . 0.0 116.974 -162.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.26 63.8 mtp85 62.61 18.16 10.29 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.998 2.119 . . . . 0.0 116.216 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -86.13 -24.04 26.36 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.81 170.67 51.84 Favored Glycine 0 CA--C 1.525 0.7 0 O-C-N 120.656 -1.278 . . . . 0.0 114.501 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -97.37 126.75 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 124.417 1.087 . . . . 0.0 108.338 168.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -94.49 6.74 47.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.966 1.706 . . . . 0.0 114.278 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.4 p -130.82 171.55 13.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.012 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.45 135.6 44.64 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 123.695 0.798 . . . . 0.0 110.851 164.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -150.81 155.77 39.89 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 125.262 1.425 . . . . 0.0 112.469 -172.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -109.4 122.0 6.31 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 125.323 1.439 . . . . 0.0 112.031 170.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.26 172.44 12.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 125.217 1.407 . . . . 0.0 112.919 -163.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.1 m -72.06 152.7 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 120.571 -1.33 . . . . 0.0 112.797 173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -57.26 155.56 8.68 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.454 1.502 . . . . 0.0 112.243 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.55 -19.48 57.44 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -82.34 -24.28 34.65 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.47 176.58 5.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.42 1.888 . . . . 0.0 112.756 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.78 33.26 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 121.432 -0.793 . . . . 0.0 114.71 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.16 136.5 48.54 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.186 1.395 . . . . 0.0 111.289 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.2 127.67 32.62 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.341 1.056 . . . . 0.0 110.253 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -149.33 166.27 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.064 1.346 . . . . 0.0 111.763 -168.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -149.65 144.1 25.93 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.794 0.838 . . . . 0.0 111.757 161.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -76.92 120.3 21.86 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.353 0.661 . . . . 0.0 111.365 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -97.08 0.02 47.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.796 1.639 . . . . 0.0 113.896 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.78 1.34 3.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 116.612 2.079 . . . . 0.0 116.612 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.18 19.09 67.74 Favored Glycine 0 N--CA 1.442 -0.959 0 N-CA-C 116.73 1.452 . . . . 0.0 116.73 171.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -99.22 -0.44 41.43 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.77 7.57 87.33 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 125.262 1.411 . . . . 0.0 115.654 173.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -133.34 160.18 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 125.802 1.641 . . . . 0.0 112.156 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 mm -98.49 101.25 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.412 1.485 . . . . 0.0 107.767 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -121.04 -6.98 9.48 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -171.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -131.36 147.06 52.53 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.631 1.172 . . . . 0.0 112.216 173.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.99 57.01 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 116.29 1.276 . . . . 0.0 116.29 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.22 -17.44 61.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.766 1.283 . . . . 0.0 114.278 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.78 -17.02 61.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.46 1.104 . . . . 0.0 112.789 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -92.65 144.04 25.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.366 1.466 . . . . 0.0 110.248 169.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.2 112.39 10.3 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.524 0.329 . . . . 0.0 110.746 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.29 -172.63 38.3 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.682 1.134 . . . . 0.0 112.532 -172.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.07 -10.02 45.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -118.11 15.36 14.11 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.854 1.661 . . . . 0.0 114.124 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 t -76.01 156.55 33.94 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.928 1.291 . . . . 0.0 113.732 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -117.9 156.57 28.22 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 125.602 1.561 . . . . 0.0 112.239 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.1 mt -95.32 169.23 10.22 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 110.671 169.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.14 67.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -172.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.35 -16.71 59.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.601 -1.312 . . . . 0.0 113.527 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.8 -10.96 38.19 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 126.069 1.795 . . . . 0.0 115.912 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -71.87 151.75 43.15 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 120.038 1.919 . . . . 0.0 112.164 175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -71.89 154.57 41.15 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.813 0.845 . . . . 0.0 112.43 171.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.42 153.78 28.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.606 1.562 . . . . 0.0 111.59 165.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.04 -38.19 82.2 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -163.62 168.23 20.21 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.615 1.966 . . . . 0.0 111.302 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.48 -45.58 92.88 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 125.029 1.3 . . . . 0.0 115.315 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -74.41 -30.42 61.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 119.892 1.846 . . . . 0.0 113.519 -176.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.3 86.12 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 118.791 0.723 . . . . 0.0 112.678 169.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.9 93.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.359 1.064 . . . . 0.0 111.895 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.29 -36.89 84.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.281 -0.887 . . . . 0.0 112.562 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.94 -16.66 64.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -73.66 -27.95 61.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 119.471 1.032 . . . . 0.0 112.172 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.48 -14.45 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.285 1.434 . . . . 0.0 113.83 -177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.37 113.13 3.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.297 1.039 . . . . 0.0 112.178 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -73.77 -17.36 61.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -110.38 -23.65 11.06 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -165.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.22 35.02 35.18 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 118.813 0.733 . . . . 0.0 113.95 -168.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -105.28 -12.48 16.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.188 1.395 . . . . 0.0 113.135 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.63 26.83 15.89 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 127.396 2.278 . . . . 0.0 114.253 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.4 pt -129.02 153.37 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.336 1.454 . . . . 0.0 111.093 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mm -98.52 120.48 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 124.217 1.007 . . . . 0.0 109.681 175.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -149.65 175.5 11.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.477 1.511 . . . . 0.0 111.586 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.33 -17.85 14.24 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 -173.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.03 -25.27 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 120.854 -1.154 . . . . 0.0 113.056 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -79.8 123.47 27.74 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.813 1.245 . . . . 0.0 111.335 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.93 -30.61 66.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.185 -0.947 . . . . 0.0 112.966 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.67 58.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.98 -29.39 67.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 119.986 1.266 . . . . 0.0 112.573 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -78.26 -21.36 49.97 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.875 1.27 . . . . 0.0 114.219 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.4 p -115.15 -14.1 11.77 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.636 1.575 . . . . 0.0 114.887 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 mt -64.41 147.23 53.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.633 1.173 . . . . 0.0 110.909 164.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -137.76 159.65 41.42 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.639 1.176 . . . . 0.0 110.689 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -116.88 126.34 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 109.233 170.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -99.96 127.42 46.15 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.909 1.284 . . . . 0.0 110.528 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -125.52 100.65 6.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.885 1.274 . . . . 0.0 109.175 171.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.4 131.88 44.0 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.147 -0.971 . . . . 0.0 111.35 -174.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.89 -17.46 37.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -169.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -116.08 1.15 13.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.663 1.185 . . . . 0.0 113.967 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 58.53 23.89 11.31 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 127.302 2.241 . . . . 0.0 114.624 -176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -77.19 -17.94 58.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.188 -1.57 . . . . 0.0 112.935 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.4 23.49 75.45 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.692 -1.06 . . . . 0.0 113.029 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -104.78 116.29 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 164.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 t -81.46 132.31 35.31 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.975 0.51 . . . . 0.0 112.276 -170.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.35 150.51 37.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.408 1.483 . . . . 0.0 111.271 165.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.57 74.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -166.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -77.22 -6.25 52.33 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.73 -9.25 59.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.571 1.149 . . . . 0.0 113.896 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mp -102.51 145.19 29.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.262 1.425 . . . . 0.0 112.842 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.48 163.99 25.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 127.591 2.356 . . . . 0.0 113.219 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -77.25 165.93 23.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.062 1.345 . . . . 0.0 112.616 168.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.54 -36.64 79.11 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.209 1.003 . . . . 0.0 112.039 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.42 -31.27 62.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -173.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -76.56 -20.66 56.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.966 1.257 . . . . 0.0 113.087 173.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.9 mt -84.09 2.79 37.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 125.533 1.533 . . . . 0.0 113.132 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 69.83 27.37 73.27 Favored Glycine 0 C--O 1.223 -0.56 0 CA-C-N 118.761 0.71 . . . . 0.0 114.394 175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.1 mt -83.57 126.51 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 118.402 1.101 . . . . 0.0 109.856 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -90.41 -50.56 5.89 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.526 1.53 . . . . 0.0 110.925 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.2 p -157.59 163.32 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.612 1.165 . . . . 0.0 111.908 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mp -127.45 124.94 39.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.989 1.315 . . . . 0.0 110.966 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -94.29 113.9 25.89 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.495 1.118 . . . . 0.0 112.29 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 mt -73.65 0.13 13.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.242 1.417 . . . . 0.0 114.817 -174.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.27 116.98 25.72 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 120.454 -1.404 . . . . 0.0 112.833 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -102.17 170.26 8.21 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.871 1.668 . . . . 0.0 114.233 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -121.92 147.22 46.3 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.227 1.811 . . . . 0.0 108.713 151.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.22 136.94 52.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.544 0.338 . . . . 0.0 111.721 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.78 -27.35 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 125.208 1.403 . . . . 0.0 114.232 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.4 m120 46.72 49.3 14.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 126.578 1.951 . . . . 0.0 113.998 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -101.23 122.49 43.75 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.588 1.955 . . . . 0.0 112.553 -166.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -66.35 127.66 33.12 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.664 -0.648 . . . . 0.0 110.836 168.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.35 -26.42 11.5 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.824 0.85 . . . . 0.0 112.623 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 178.61 -172.09 44.4 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 125.546 1.546 . . . . 0.0 112.167 173.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -57.8 108.26 0.55 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.597 -0.943 . . . . 0.0 112.427 -177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.37 69.23 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.362 -1.243 . . . . 0.0 116.133 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -113.87 121.91 45.4 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 119.613 1.707 . . . . 0.0 111.647 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.9 m -142.43 131.47 23.14 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 125.624 1.57 . . . . 0.0 111.179 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.93 112.38 24.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.431 1.893 . . . . 0.0 110.292 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.96 -53.17 7.31 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.676 -0.64 . . . . 0.0 112.581 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -133.68 142.71 48.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.255 1.422 . . . . 0.0 110.089 -173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -141.87 141.21 33.04 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.344 1.058 . . . . 0.0 111.705 -168.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.01 -150.13 5.25 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 127.677 2.56 . . . . 0.0 110.501 170.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 67.6 m -141.28 164.53 30.01 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -123.88 160.12 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.802 2.041 . . . . 0.0 109.947 167.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.4 m -106.61 134.51 49.64 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.086 1.754 . . . . 0.0 111.19 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -92.64 161.46 14.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.313 1.845 . . . . 0.0 111.325 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 37.3 p -63.32 -17.99 63.15 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -79.64 0.09 31.64 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 125.831 1.652 . . . . 0.0 114.785 169.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.85 -2.71 78.95 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 126.66 2.076 . . . . 0.0 115.512 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.0 p -80.18 160.47 25.64 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 119.63 1.715 . . . . 0.0 110.906 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 69.9 p -117.73 154.55 31.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.514 -0.741 . . . . 0.0 112.473 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -141.49 157.04 45.65 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.595 1.158 . . . . 0.0 111.124 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.82 150.7 36.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.636 0.775 . . . . 0.0 112.79 -168.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -147.2 159.59 43.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.846 1.258 . . . . 0.0 111.203 168.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.75 173.32 44.71 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 116.581 1.392 . . . . 0.0 116.581 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.02 123.28 27.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.035 1.734 . . . . 0.0 111.443 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 55.1 tp -129.45 134.52 47.87 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.892 1.677 . . . . 0.0 112.656 -167.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.91 127.63 33.37 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.678 1.591 . . . . 0.0 110.189 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.4 mt -110.32 133.13 53.56 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.315 1.446 . . . . 0.0 110.092 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -98.8 150.64 21.65 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.26 1.024 . . . . 0.0 112.449 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.11 141.47 19.64 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.255 1.022 . . . . 0.0 112.226 168.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -76.17 150.86 37.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.539 1.536 . . . . 0.0 114.921 -178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -131.13 14.48 5.16 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.471 1.908 . . . . 0.0 114.145 173.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 36.4 tp -113.8 -34.66 5.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 120.675 1.58 . . . . 0.0 114.768 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -122.89 -27.6 4.24 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 124.67 1.188 . . . . 0.0 113.849 -171.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.4 m -68.63 150.45 47.95 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.589 1.956 . . . . 0.0 113.405 -176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -125.24 109.72 13.18 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.888 1.675 . . . . 0.0 109.848 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -92.72 147.61 22.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.468 1.107 . . . . 0.0 111.785 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 57.3 mt 52.78 40.11 29.97 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.174 1.789 . . . . 0.0 113.198 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--O 1.243 0.755 0 C-N-CA 125.731 1.612 . . . . 0.0 111.738 -174.411 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.997 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.1 m -135.89 133.03 37.29 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.337 1.455 . . . . 0.0 109.917 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -142.85 166.35 24.88 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.504 1.122 . . . . 0.0 113.28 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.59 155.96 24.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.473 1.909 . . . . 0.0 112.741 168.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.8 mt -83.71 139.37 32.8 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.08 1.352 . . . . 0.0 112.808 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.49 160.25 40.29 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.78 1.632 . . . . 0.0 113.861 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mp -126.59 146.92 49.97 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.923 1.289 . . . . 0.0 113.066 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -85.1 103.43 14.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.097 1.359 . . . . 0.0 109.882 167.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.05 -25.23 32.31 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -166.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.36 -5.81 12.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 116.08 1.882 . . . . 0.0 116.08 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.38 35.84 8.47 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 116.783 1.473 . . . . 0.0 116.783 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -126.18 16.71 7.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.33 1.565 . . . . 0.0 114.74 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.49 162.24 31.47 Favored Glycine 0 C--N 1.342 0.863 0 C-N-CA 125.689 1.614 . . . . 0.0 112.447 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.78 106.03 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -89.32 129.01 35.93 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.934 0.894 . . . . 0.0 111.287 -172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -129.63 148.2 51.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.848 1.259 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.863 0 C-N-CA 127.334 2.254 . . . . 0.0 111.419 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.06 57.45 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.714 . . . . 0.0 111.495 170.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.4 t -155.82 155.95 33.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.813 1.645 . . . . 0.0 110.827 175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -94.39 111.4 23.15 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.571 0.748 . . . . 0.0 109.487 156.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.89 141.04 22.19 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 172.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.11 -30.92 71.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m 44.03 61.33 2.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.271 1.828 . . . . 0.0 114.579 170.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.73 160.67 28.8 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 127.953 2.692 . . . . 0.0 114.808 10.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 m -50.14 -32.83 17.04 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -166.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.33 -34.29 74.43 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -135.77 -15.16 1.83 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -163.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -83.61 106.11 15.07 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 120.058 1.299 . . . . 0.0 110.774 175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -150.54 0.41 0.43 Allowed 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.294 1.437 . . . . 0.0 114.198 178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -120.06 163.49 17.58 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 126.311 1.844 . . . . 0.0 111.773 -172.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -73.83 18.73 0.13 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.989 2.115 . . . . 0.0 113.604 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -147.7 164.72 32.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.805 1.642 . . . . 0.0 110.011 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.1 160.6 54.08 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.385 0.993 . . . . 0.0 114.359 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -78.12 136.59 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 124.351 1.06 . . . . 0.0 109.297 -177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -132.81 70.09 1.47 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.254 1.822 . . . . 0.0 111.155 -174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.5 p -133.47 160.98 35.81 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.429 1.492 . . . . 0.0 112.153 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.71 127.32 40.6 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.249 1.02 . . . . 0.0 110.327 167.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.6 p -114.96 82.59 1.76 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.902 0.881 . . . . 0.0 112.974 -164.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.61 127.75 8.09 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 146.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -121.77 159.77 25.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.427 1.113 . . . . 0.0 111.434 176.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.7 128.31 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 122.032 0.92 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 t -61.06 161.7 8.16 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.289 1.836 . . . . 0.0 112.243 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.74 -9.36 1.71 Allowed 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 170.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -76.74 -27.59 55.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 126.012 1.725 . . . . 0.0 114.053 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -128.83 -172.79 2.8 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.848 2.459 . . . . 0.0 113.013 -173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.59 37.65 Favored Glycine 0 N--CA 1.442 -0.95 0 N-CA-C 116.219 1.248 . . . . 0.0 116.219 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tp -95.73 144.74 25.87 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 126.897 2.079 . . . . 0.0 111.677 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.69 127.12 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 119.345 0.975 . . . . 0.0 111.051 173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.87 164.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 112.086 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -124.72 114.3 19.11 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.57 1.548 . . . . 0.0 109.108 171.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -88.19 96.34 10.51 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.001 0.819 . . . . 0.0 109.957 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.48 -14.26 60.42 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.07 1.748 . . . . 0.0 114.153 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -126.52 0.05 6.88 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.25 15.72 76.93 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 116.374 1.31 . . . . 0.0 116.374 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -74.51 -5.18 41.23 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 119.589 1.695 . . . . 0.0 114.004 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.78 4.51 79.13 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 125.337 1.446 . . . . 0.0 115.325 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.7 pt -136.54 161.31 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 126.717 2.007 . . . . 0.0 111.934 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -94.09 122.69 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 123.444 0.698 . . . . 0.0 111.351 169.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -136.63 -14.42 1.67 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.197 1.399 . . . . 0.0 113.279 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -117.23 146.92 42.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.543 1.137 . . . . 0.0 111.502 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.25 -14.18 73.92 Favored Glycine 0 CA--C 1.525 0.701 0 O-C-N 120.855 -1.153 . . . . 0.0 115.62 -172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.33 -9.24 59.19 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 118.501 1.15 . . . . 0.0 113.859 171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -74.3 -8.17 55.3 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.73 -1.231 . . . . 0.0 113.683 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.3 mt -97.63 160.84 14.07 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.398 1.479 . . . . 0.0 111.749 174.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -107.31 133.1 52.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.131 0.972 . . . . 0.0 110.316 163.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.17 -178.99 40.53 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 125.482 1.515 . . . . 0.0 111.707 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.87 -1.57 20.08 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -171.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -123.36 3.74 9.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 125.517 1.527 . . . . 0.0 114.723 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 t -70.0 160.28 32.22 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.96 -1.088 . . . . 0.0 112.937 -178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -91.69 128.28 37.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.665 0.786 . . . . 0.0 111.672 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.36 158.26 36.28 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.469 1.107 . . . . 0.0 109.591 168.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.11 -22.95 61.66 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -170.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.4 p30 -84.92 -2.6 58.05 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 125.235 1.414 . . . . 0.0 114.762 176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.32 -2.92 61.35 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 126.52 2.01 . . . . 0.0 114.542 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 m -74.57 167.68 21.27 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 119.511 1.655 . . . . 0.0 112.793 175.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -94.4 144.34 25.63 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.809 1.244 . . . . 0.0 112.533 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 157.28 25.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.516 1.126 . . . . 0.0 112.838 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.82 -44.3 10.6 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.216 1.407 . . . . 0.0 113.027 157.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -144.16 143.87 31.29 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.348 1.059 . . . . 0.0 111.422 -170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -55.22 -42.24 81.56 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 114.967 0.747 . . . . 0.0 114.967 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.78 -40.67 95.65 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 118.766 1.283 . . . . 0.0 111.842 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.13 -32.35 59.1 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 112.299 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.78 81.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.767 1.227 . . . . 0.0 112.08 171.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.3 -39.7 71.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.077 0.951 . . . . 0.0 112.026 170.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.6 66.68 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.83 -24.14 65.64 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.811 1.187 . . . . 0.0 113.066 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mp -77.8 -13.0 60.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.47 1.108 . . . . 0.0 113.666 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.73 127.61 33.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 120.26 1.391 . . . . 0.0 112.303 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -90.67 -19.31 23.76 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.846 1.658 . . . . 0.0 115.287 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -110.92 -23.97 10.67 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 -160.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.66 26.69 58.41 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.269 -0.895 . . . . 0.0 114.66 -165.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -102.34 8.49 40.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.644 1.722 . . . . 0.0 114.373 -174.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.0 t30 59.08 11.91 2.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.918 2.487 . . . . 0.0 116.281 -174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.7 pt -129.24 149.57 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 119.449 1.022 . . . . 0.0 113.547 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -98.59 115.72 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.781 1.633 . . . . 0.0 108.018 169.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.47 175.58 13.42 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 126.068 1.747 . . . . 0.0 112.131 -170.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.27 -17.77 8.59 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 117.059 2.244 . . . . 0.0 117.059 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.56 -13.8 61.9 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 119.84 1.2 . . . . 0.0 113.784 171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -94.77 132.27 39.72 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.376 1.871 . . . . 0.0 112.398 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.22 -25.24 66.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.18 -16.84 55.97 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.14 -35.03 74.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -165.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -70.51 -19.9 62.88 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 120.818 -1.176 . . . . 0.0 113.963 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 p -79.43 -13.92 59.27 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.06 141.84 49.25 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.936 0.894 . . . . 0.0 111.902 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -141.31 162.53 35.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.944 1.698 . . . . 0.0 109.976 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.07 130.31 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.725 1.21 . . . . 0.0 109.021 165.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -99.62 107.7 19.9 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.936 0.894 . . . . 0.0 111.148 176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -105.01 105.11 15.0 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.207 1.803 . . . . 0.0 108.615 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -94.62 110.32 22.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 121.425 -0.797 . . . . 0.0 110.471 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.47 HD22 ' H ' ' A' ' 108' ' ' LEU . 2.7 mm? -61.43 -25.79 67.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.936 0.894 . . . . 0.0 112.974 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -115.58 -4.48 12.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.829 1.652 . . . . 0.0 115.345 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 53.48 28.51 7.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 116.798 2.148 . . . . 0.0 116.798 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.17 -1.7 30.71 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.92 -6.1 72.36 Favored Glycine 0 C--N 1.344 0.983 0 O-C-N 120.012 -1.68 . . . . 0.0 115.285 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.7 mm -111.17 139.76 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 125.829 1.652 . . . . 0.0 108.942 171.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -96.37 151.67 19.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.341 1.056 . . . . 0.0 112.572 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -136.43 157.88 45.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 125.964 1.705 . . . . 0.0 110.095 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.12 -31.74 71.43 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -169.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -74.92 -9.15 58.27 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -97.24 -23.99 15.9 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.883 1.273 . . . . 0.0 112.924 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -85.36 131.14 34.45 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.4 0.68 . . . . 0.0 109.714 169.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -126.27 156.69 39.93 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 127.933 2.493 . . . . 0.0 111.216 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.0 p -73.68 158.71 34.2 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.626 -0.671 . . . . 0.0 111.665 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.07 -42.42 80.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.119 0.568 . . . . 0.0 110.327 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.06 -31.85 71.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.65 -18.24 61.58 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 120.402 1.455 . . . . 0.0 113.613 172.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.15 10.69 30.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.762 1.625 . . . . 0.0 111.998 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.69 17.16 77.97 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-O 118.564 -1.131 . . . . 0.0 114.767 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -88.23 131.95 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-N 119.432 1.616 . . . . 0.0 109.575 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -101.96 -44.1 5.59 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 112.916 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.4 p -159.29 156.81 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.711 1.205 . . . . 0.0 111.992 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.66 132.69 54.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 109.456 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.67 145.09 24.81 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 124.127 0.971 . . . . 0.0 112.665 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.86 1.6 53.17 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -170.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.62 126.54 31.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 120.437 -1.414 . . . . 0.0 112.307 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -122.73 152.78 40.26 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.809 1.243 . . . . 0.0 113.747 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -139.15 126.78 21.86 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 127.685 2.394 . . . . 0.0 109.958 -175.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -75.3 135.6 40.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.829 1.195 . . . . 0.0 112.194 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.8 -32.14 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 C-N-CA 124.576 1.15 . . . . 0.0 113.43 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.9 t30 52.63 39.3 28.02 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.987 2.115 . . . . 0.0 116.094 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -76.17 129.54 36.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 124.631 1.172 . . . . 0.0 112.205 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -64.28 127.86 33.3 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 124.014 0.926 . . . . 0.0 111.483 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 mt -108.5 0.32 20.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.542 1.137 . . . . 0.0 113.092 174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 84.77 163.1 36.15 Favored Glycine 0 N--CA 1.441 -1.02 0 C-N-CA 125.343 1.449 . . . . 0.0 114.359 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 11.9 m120 57.17 22.48 7.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.63 4.39 76.3 Favored Glycine 0 C--O 1.223 -0.538 0 CA-C-O 118.277 -1.29 . . . . 0.0 115.626 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -91.22 144.93 25.11 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 119.94 1.87 . . . . 0.0 111.203 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 56.4 m -141.75 127.69 19.45 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 125.654 1.581 . . . . 0.0 111.138 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.0 tt -76.43 98.99 4.73 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 168.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.16 -55.47 9.31 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 112.218 -174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -140.56 146.14 37.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.323 1.449 . . . . 0.0 111.893 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -118.16 141.96 47.94 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.622 1.569 . . . . 0.0 111.964 -166.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -139.41 -165.87 10.42 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.52 2.486 . . . . 0.0 111.14 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 96.9 p -140.68 161.05 38.68 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -173.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 161' ' ' ALA . 29.3 p90 -130.36 149.83 51.87 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.822 1.249 . . . . 0.0 111.573 168.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.7 m -95.23 134.8 37.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.496 1.518 . . . . 0.0 109.706 176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -87.94 162.16 17.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.814 1.246 . . . . 0.0 111.848 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 15.4 p -59.83 -23.77 63.63 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 114.361 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -92.43 13.77 18.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 114.141 171.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.93 -9.54 30.87 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 126.159 1.838 . . . . 0.0 116.309 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 71.8 p -71.03 154.81 41.48 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 119.64 1.72 . . . . 0.0 111.97 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 16.8 m -106.62 139.04 41.69 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.532 1.133 . . . . 0.0 110.75 -174.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 153' ' ' TYR . . . -136.6 165.01 26.88 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 124.842 1.257 . . . . 0.0 112.399 177.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -87.79 144.4 26.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.414 1.486 . . . . 0.0 113.749 -163.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.8 ptm -145.35 167.08 23.76 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.808 1.243 . . . . 0.0 111.282 164.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -166.37 168.3 39.9 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-O 122.05 0.805 . . . . 0.0 114.701 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -98.78 108.18 20.8 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 126.302 1.841 . . . . 0.0 109.102 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.0 mp -101.91 118.48 37.01 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 124.283 1.033 . . . . 0.0 111.426 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 38.5 tp -97.38 134.17 41.01 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.947 2.099 . . . . 0.0 111.631 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt -94.04 137.22 33.49 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 172.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -79.81 151.95 30.01 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.362 1.065 . . . . 0.0 112.555 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -73.34 146.08 45.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.915 0.886 . . . . 0.0 112.1 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -79.77 127.06 31.76 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.009 -1.057 . . . . 0.0 110.395 166.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -63.19 138.79 58.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.043 1.337 . . . . 0.0 113.216 -173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 98.0 mt -84.16 103.09 13.08 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 123.452 0.701 . . . . 0.0 110.024 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -110.21 142.08 42.25 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.373 1.469 . . . . 0.0 111.549 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.5 m 55.21 38.66 30.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.124 1.37 . . . . 0.0 112.901 -171.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -70.41 -8.13 48.49 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -165.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -102.13 -8.12 21.65 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.898 1.279 . . . . 0.0 113.733 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 61.1 mt -72.74 155.9 39.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.383 1.473 . . . . 0.0 111.718 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 125.534 1.533 . . . . 0.0 112.718 -176.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_