data_6do6_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 6do6 _Structure_validation_residue.Date_analyzed 2018-12-21 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 ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 119.06 -0.495 . . . . 73.21 109.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.86 69.36 6.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.223 1.009 . . . . 74.3 108.634 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -135.49 111.22 9.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.882 1.273 . . . . 73.43 109.075 -171.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -172.22 34.67 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.087 -1.205 . . . . 62.3 110.087 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -125.65 136.46 53.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.116 1.366 . . . . 72.05 108.498 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.77 121.7 13.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 73.55 109.724 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.27 145.08 30.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.092 0.557 . . . . 63.23 110.049 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.48 124.35 17.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.584 1.553 . . . . 75.14 111.222 166.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -94.18 -49.41 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 124.407 1.067 . . . . 70.53 109.748 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.7 p -164.43 171.64 14.42 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.157 1.383 . . . . 74.31 110.585 -175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -161.79 147.22 13.37 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.151 1.38 . . . . 75.34 110.235 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.67 142.09 51.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.385 1.874 . . . . 71.24 109.967 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.77 30.1 18.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.057 2.143 . . . . 73.35 112.725 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.1 -50.17 74.74 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.418 1.487 . . . . 74.43 113.195 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.47 -34.35 76.98 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.712 1.257 . . . . 75.45 113.109 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.93 79.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.722 1.209 . . . . 65.25 112.96 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -77.79 -42.99 32.01 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 124.818 1.247 . . . . 65.33 113.906 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.26 65.32 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.337 1.023 . . . . 73.11 111.894 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmmt? -76.82 -37.07 56.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.269 1.427 . . . . 64.44 112.349 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.93 65.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.507 1.299 . . . . 42.53 114.507 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 pt -87.84 -18.84 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 123.919 0.888 . . . . 75.12 112.608 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.17 29.39 9.68 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.272 -1.294 . . . . 73.53 113.393 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.7 146.48 95.81 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 119.512 1.656 . . . . 73.21 109.826 165.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.17 137.49 61.66 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.692 2.261 . . . . 73.11 112.32 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.03 -27.24 63.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.15 1.78 . . . . 74.13 115.088 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.11 -50.56 71.4 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.015 0.926 . . . . 71.4 112.982 168.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.13 -21.54 66.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.044 1.337 . . . . 73.52 113.308 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.72 -61.06 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.85 0.86 . . . . 71.25 109.914 168.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -64.4 -24.26 67.57 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.672 1.73 . . . . 73.04 115.672 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -90.8 -41.27 11.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.296 -0.859 . . . . 75.32 111.262 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.9 -19.51 69.74 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.054 1.312 . . . . 74.13 114.22 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -66.28 -34.51 78.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.834 1.317 . . . . 75.03 113.34 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.95 -17.18 22.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.199 1.4 . . . . 72.31 112.664 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.48 112.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 N-CA-C 108.816 -0.809 . . . . 73.13 108.816 170.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 119.28 10.34 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 124.809 1.318 . . . . 74.41 110.412 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.08 168.24 24.41 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.569 1.168 . . . . 72.05 110.394 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.09 148.41 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.648 1.579 . . . . 70.34 108.092 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -126.26 149.75 48.88 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.171 1.388 . . . . 73.45 109.011 170.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -143.06 109.09 5.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.797 -1.186 . . . . 74.12 107.797 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.25 146.18 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 107.466 -1.309 . . . . 75.4 107.466 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.28 103.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 109.134 -0.691 . . . . 72.01 109.134 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.16 124.78 28.66 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.262 -0.644 . . . . 74.4 109.262 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -126.09 74.23 1.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.136 1.774 . . . . 74.22 106.998 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 -120.87 7.15 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.874 -1.69 . . . . 72.11 108.874 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -25.71 56.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 117.975 -1.012 . . . . 73.53 112.756 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -71.99 147.94 46.42 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.802 0.841 . . . . 74.24 111.586 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -141.27 123.27 15.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.202 1.801 . . . . 75.23 109.503 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -91.65 146.07 24.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.531 1.144 . . . . 74.12 110.144 156.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -136.39 100.83 4.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 126.006 1.722 . . . . 74.03 107.853 171.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -95.48 139.63 31.49 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.133 0.896 . . . . 73.11 108.686 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -138.8 133.09 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.025 -1.472 . . . . 71.24 107.025 173.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -130.95 125.29 33.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.301 1.04 . . . . 74.32 108.922 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.17 149.38 4.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.682 1.593 . . . . 73.21 108.935 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.18 22.68 77.45 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-O 118.926 -0.93 . . . . 72.42 113.012 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 m 65.67 23.12 11.63 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.4 2.28 . . . . 74.02 114.379 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 151.35 50.45 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.424 1.49 . . . . 75.24 109.472 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.83 141.49 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.904 1.282 . . . . 74.12 108.905 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.99 131.04 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.863 -1.903 . . . . 72.44 105.863 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.83 136.42 54.91 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 124.086 0.866 . . . . 73.31 109.431 167.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -125.14 147.13 49.16 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 125.322 1.639 . . . . 62.32 109.05 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -130.6 137.1 49.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 125.728 1.893 . . . . 53.12 107.992 168.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -153.09 170.53 20.26 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.661 1.226 . . . . 73.13 109.964 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 m -134.36 127.13 31.04 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.58 137.94 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.672 0.607 . . . . 74.41 111.761 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.39 -13.18 58.69 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.05 1.309 . . . . 74.31 112.334 -172.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -110.04 160.76 16.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.564 1.945 . . . . 71.55 109.412 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -92.72 129.57 38.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.947 0.899 . . . . 71.35 109.984 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.7 m -143.05 156.56 44.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.102 1.361 . . . . 73.13 109.608 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.42 112.98 25.12 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.821 0.848 . . . . 74.34 110.233 -174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -99.19 124.84 44.56 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.943 1.297 . . . . 73.21 110.468 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.6 148.39 27.18 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.709 2.003 . . . . 64.43 110.536 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 p -121.22 172.87 7.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.051 1.341 . . . . 72.12 110.67 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.4 mmt -57.01 -33.16 66.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.114 1.766 . . . . 72.21 114.181 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -75.82 -15.47 60.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.234 1.813 . . . . 73.51 113.611 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.09 60.95 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-O 117.874 -1.514 . . . . 72.11 112.933 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.56 140.46 57.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.852 1.826 . . . . 72.14 111.483 173.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -114.99 133.66 55.84 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 125.184 1.552 . . . . 75.33 107.918 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.78 140.35 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 O-C-N 124.255 0.972 . . . . 75.31 109.565 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -72.14 137.26 46.87 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.158 0.911 . . . . 72.22 111.626 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -165.15 144.94 6.89 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.933 1.395 . . . . 74.41 110.126 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.62 140.17 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.075 0.95 . . . . 71.31 109.092 171.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -111.66 139.23 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.186 0.929 . . . . 75.24 108.858 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -113.54 158.26 20.99 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.654 1.581 . . . . 73.22 110.215 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -137.58 137.6 38.71 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.225 1.41 . . . . 75.55 109.046 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.73 159.33 16.84 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.09 1.356 . . . . 65.14 109.657 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.16 21.11 1.8 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.732 1.634 . . . . 74.23 114.179 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.62 22.69 9.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.319 1.848 . . . . 72.42 110.688 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 69.9 30.44 3.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.755 1.622 . . . . 63.02 112.412 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -113.26 148.42 35.61 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.212 1.005 . . . . 75.42 110.346 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.7 151.77 40.12 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.546 1.539 . . . . 74.45 108.491 167.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.47 128.39 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 124.492 1.117 . . . . 72.15 108.881 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -146.33 143.26 29.01 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.709 1.204 . . . . 75.01 110.213 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -125.26 120.81 32.25 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.623 0.769 . . . . 73.45 109.89 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -143.92 126.05 15.51 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.413 1.085 . . . . 64.14 109.753 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp 59.4 29.09 18.61 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.009 1.324 . . . . 73.3 113.36 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 t30 72.45 5.5 5.27 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.458 2.303 . . . . 73.23 114.371 -170.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.3 mt -87.0 101.71 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 125.123 1.369 . . . . 74.34 107.889 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -81.75 82.83 7.31 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.251 1.82 . . . . 63.13 109.692 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 t -76.46 137.14 39.5 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.853 0.861 . . . . 74.21 111.62 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -134.75 133.96 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.87 1.668 . . . . 74.23 106.848 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -123.06 153.43 39.9 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.649 1.18 . . . . 71.13 108.882 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -149.67 122.07 8.47 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.647 0.779 . . . . 71.35 110.279 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.8 135.57 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.44 1.496 . . . . 64.42 109.014 168.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.69 81.24 1.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.073 -1.084 . . . . 71.43 108.073 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.15 -104.98 1.66 Allowed Glycine 0 C--N 1.346 1.136 0 N-CA-C 108.815 -1.714 . . . . 44.23 108.815 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -102.57 -2.98 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.384 1.874 . . . . 73.33 112.713 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.1 mm -109.61 137.27 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.527 1.131 . . . . 74.42 109.395 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 50.5 mm -115.02 110.52 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.337 1.055 . . . . 74.32 108.948 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -89.66 141.63 28.43 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.488 1.117 . . . . 74.24 108.821 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.94 146.51 47.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.653 1.581 . . . . 74.51 108.18 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.6 m -142.95 142.43 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.932 1.693 . . . . 72.14 107.499 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 47.0 mtt -137.52 122.23 18.66 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.075 0.95 . . . . 64.32 108.771 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 m -113.23 110.76 20.92 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.921 0.763 . . . . 73.11 109.938 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.33 107.86 13.46 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.636 -1.246 . . . . 72.23 107.636 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.55 -94.69 0.66 Allowed Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.587 -1.405 . . . . 74.52 109.587 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -124.56 -5.28 7.64 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.47 1.508 . . . . 65.24 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.5 mm -84.4 112.45 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.676 0.791 . . . . 74.05 109.419 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.1 t -100.94 84.46 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.451 1.094 . . . . 63.55 108.112 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.88 144.22 50.76 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.497 1.119 . . . . 72.25 110.683 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -148.27 145.02 28.02 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.437 1.086 . . . . 73.42 109.153 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.73 139.4 29.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.383 1.873 . . . . 65.53 108.292 -163.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.02 124.52 46.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.728 -1.212 . . . . 74.11 107.728 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 m -134.26 154.97 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.462 1.505 . . . . 72.4 109.696 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -144.03 142.98 30.97 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.662 1.185 . . . . 71.15 110.003 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -53.07 135.23 37.69 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 126.61 1.964 . . . . 75.35 114.02 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 124.419 2.057 . . . . 74.32 106.462 176.214 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 120.443 0.164 . . . . 73.21 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -55.89 -25.21 41.62 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.048 1.87 . . . . 74.3 116.048 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -59.01 134.83 57.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.412 1.485 . . . . 73.43 114.995 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.94 177.76 19.11 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 124.688 1.243 . . . . 62.3 110.076 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -102.66 140.24 37.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.739 1.616 . . . . 72.05 109.51 171.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -139.7 109.75 6.45 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.919 1.288 . . . . 73.55 109.856 -173.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -75.15 141.46 43.69 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.966 0.506 . . . . 63.23 111.045 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.24 130.27 38.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.857 2.063 . . . . 75.14 112.658 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -103.43 -58.38 1.88 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.835 1.334 . . . . 70.53 109.908 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -153.25 161.98 41.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.594 1.158 . . . . 74.31 110.963 -170.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -156.33 148.19 22.97 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.371 1.044 . . . . 75.34 110.419 173.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -121.19 142.03 50.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.052 1.741 . . . . 71.24 108.895 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 58.04 36.91 26.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.977 2.111 . . . . 73.35 112.772 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.21 -53.36 57.89 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.786 1.234 . . . . 74.43 112.366 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -40.01 95.07 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.088 1.755 . . . . 75.45 112.437 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.4 85.24 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.569 1.548 . . . . 65.25 112.875 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -75.85 -42.8 48.5 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 124.233 1.013 . . . . 65.33 113.019 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -27.92 67.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.331 1.019 . . . . 73.11 112.493 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.45 -48.29 56.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 64.44 111.601 166.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.37 73.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.916 1.45 . . . . 42.53 114.916 -173.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.85 -17.27 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 N-CA-C 113.567 0.951 . . . . 75.12 113.567 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 18.64 28.99 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 118.094 -1.392 . . . . 73.53 113.182 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.05 140.91 88.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.618 1.709 . . . . 73.21 109.863 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -64.92 143.66 80.19 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.664 2.242 . . . . 73.11 112.109 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.71 -30.55 44.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.202 1.556 . . . . 74.13 115.202 -173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.32 -34.05 74.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.383 -0.818 . . . . 71.4 113.069 177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.92 -20.62 59.63 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 117.88 -1.057 . . . . 73.52 113.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.26 -53.85 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.447 0.699 . . . . 71.25 109.953 171.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -67.47 -22.02 65.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.89 1.441 . . . . 73.04 114.89 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -90.25 -46.69 8.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.643 0.777 . . . . 75.32 110.562 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -19.18 70.29 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.326 1.441 . . . . 74.13 114.562 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.07 -26.44 66.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.888 1.344 . . . . 75.03 113.381 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -110.12 -8.51 14.78 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.945 1.698 . . . . 72.31 113.787 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 55' ' ' GLY . 47.6 mm -75.4 103.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 119.527 1.058 . . . . 73.13 109.159 170.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 98.22 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.275 2.23 . . . . 74.41 111.241 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.18 165.15 54.59 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.382 1.051 . . . . 72.05 111.677 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.24 137.94 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 107.565 -1.272 . . . . 70.34 107.565 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 t -111.21 156.85 20.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.113 1.365 . . . . 73.45 108.637 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -142.21 144.45 33.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.224 -1.398 . . . . 74.12 107.224 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -138.16 151.2 24.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.751 -1.203 . . . . 75.4 107.751 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 t -141.32 140.81 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.317 1.447 . . . . 72.01 107.296 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -123.66 126.08 45.94 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.419 1.088 . . . . 74.4 108.752 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -133.91 70.09 1.46 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.33 1.852 . . . . 74.22 108.063 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.65 -114.51 5.14 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.427 -1.469 . . . . 72.11 109.427 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.06 -29.93 49.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.472 1.109 . . . . 73.53 112.468 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.59 137.98 44.62 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 74.24 110.889 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -124.89 149.92 47.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.654 1.582 . . . . 75.23 108.864 169.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -132.06 132.08 43.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.882 -1.525 . . . . 74.12 106.882 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -115.55 149.58 37.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.303 1.441 . . . . 74.03 109.137 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -130.48 140.67 50.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.321 1.848 . . . . 73.11 106.915 166.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -137.58 122.72 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.2 -1.778 . . . . 71.24 106.2 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -123.09 112.54 17.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.943 1.297 . . . . 74.32 108.484 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.48 139.25 5.56 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.696 1.198 . . . . 73.21 109.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.4 ' H ' HG23 ' A' ' 35' ' ' ILE . . . 84.04 32.07 24.41 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-O 118.755 -1.025 . . . . 72.42 112.284 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t 65.17 28.59 12.12 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.487 1.915 . . . . 74.02 113.213 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 150.91 32.23 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.192 1.397 . . . . 75.24 109.243 -177.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.2 t -110.91 141.47 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.146 1.379 . . . . 74.12 108.549 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.79 135.74 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.076 -1.824 . . . . 72.44 106.076 165.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -123.64 143.52 50.19 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.383 1.073 . . . . 73.31 108.705 165.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -144.59 113.66 6.9 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.811 1.245 . . . . 62.32 109.922 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -79.79 152.24 29.88 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 125.317 1.636 . . . . 53.12 110.409 161.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -163.5 163.34 24.76 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.122 1.369 . . . . 73.13 109.431 161.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -127.16 122.59 34.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.405 -1.332 . . . . 74.33 107.405 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.66 125.83 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 124.096 0.873 . . . . 74.41 110.975 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.07 -11.01 58.68 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-O 117.985 -1.453 . . . . 74.31 111.954 -171.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -119.19 158.19 26.46 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.614 1.707 . . . . 71.55 111.112 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.4 125.26 30.84 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.61 1.194 . . . . 71.35 110.585 169.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.7 m -134.93 154.06 51.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.68 1.592 . . . . 73.13 108.495 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.63 113.32 25.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.368 0.667 . . . . 74.34 111.027 -177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.24 132.9 36.99 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.279 1.432 . . . . 73.21 109.948 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.24 139.8 30.25 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.174 1.39 . . . . 64.43 109.644 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.9 p -100.81 175.12 5.74 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.001 1.321 . . . . 72.12 111.53 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.7 mtt -67.39 -26.49 66.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.69 1.196 . . . . 72.21 114.116 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -78.91 -16.48 56.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.553 1.141 . . . . 73.51 112.891 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.81 5.57 61.15 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.757 -1.024 . . . . 72.11 112.718 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.27 154.25 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.967 1.307 . . . . 72.14 110.855 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -126.21 129.2 48.5 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.218 1.007 . . . . 75.33 108.842 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.3 m -144.49 134.45 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.737 1.215 . . . . 75.31 111.19 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -71.45 143.55 50.03 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.068 1.347 . . . . 72.22 113.03 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -171.49 147.65 2.41 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.071 1.482 . . . . 74.41 110.898 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -77.11 140.05 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.011 . . . . 71.31 110.228 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.52 142.96 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.477 1.11 . . . . 75.24 108.699 170.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -120.2 157.8 28.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.129 1.772 . . . . 73.22 109.01 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -133.96 132.57 40.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.712 1.205 . . . . 75.55 108.991 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -94.43 -171.15 2.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.534 1.534 . . . . 65.14 110.334 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.98 -27.51 33.94 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 119.03 -0.872 . . . . 74.23 112.918 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -91.59 29.38 1.52 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.491 1.517 . . . . 72.42 111.94 -170.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.01 42.89 9.51 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.102 1.761 . . . . 63.02 111.3 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -117.46 121.4 40.94 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.951 0.901 . . . . 75.42 109.588 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.78 149.47 25.72 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.101 0.876 . . . . 74.45 109.277 163.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.6 t -141.79 130.92 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.566 1.166 . . . . 72.15 108.103 172.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 t -160.79 171.6 18.52 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.498 1.519 . . . . 75.01 109.863 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 p -141.54 139.78 33.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.494 1.518 . . . . 73.45 109.346 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -149.77 122.0 8.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.009 0.924 . . . . 64.14 108.659 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.27 42.23 28.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.855 1.662 . . . . 73.3 114.411 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.9 t30 73.17 -3.14 2.52 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.176 1.79 . . . . 73.23 113.789 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.8 mt -91.2 97.72 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.742 -1.207 . . . . 74.34 107.742 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.28 133.14 52.17 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.916 0.886 . . . . 63.13 109.402 164.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 p -135.47 111.6 9.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.513 1.133 . . . . 74.21 109.341 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.88 132.26 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 O-C-N 125.393 1.683 . . . . 74.23 107.315 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.4 m -115.6 150.58 36.44 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.96 -1.126 . . . . 71.13 107.96 167.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -142.64 133.78 25.96 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.881 0.738 . . . . 71.35 110.467 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 141.21 30.73 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.263 1.825 . . . . 64.42 108.275 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -140.66 74.28 1.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.648 -1.242 . . . . 71.43 107.648 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.38 -92.55 0.5 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.143 1.354 . . . . 44.23 110.603 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 4.19 21.86 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.643 1.977 . . . . 73.33 111.917 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.0 mm -117.87 142.65 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.173 1.389 . . . . 74.42 108.245 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.8 mm -124.36 128.59 73.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.416 1.086 . . . . 74.32 108.893 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.4 m -114.26 148.69 37.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.387 . . . . 74.24 108.941 172.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -131.24 150.42 52.15 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.206 1.402 . . . . 74.51 108.365 163.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.5 m -138.66 112.73 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.563 1.545 . . . . 72.14 107.054 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 38.0 mmm -115.42 89.2 3.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.199 1.4 . . . . 64.32 108.329 -173.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -81.99 119.23 23.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.588 1.555 . . . . 73.11 111.334 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -120.3 77.5 1.27 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.759 1.223 . . . . 72.23 107.992 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.89 -112.59 4.95 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.946 1.26 . . . . 74.52 110.332 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.47 -12.6 61.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.455 1.902 . . . . 65.24 113.559 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.69 140.77 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.624 1.17 . . . . 74.05 108.827 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.27 85.69 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.521 -0.918 . . . . 63.55 108.521 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -70.11 145.5 51.54 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.199 0.6 . . . . 72.25 110.536 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -146.01 149.21 33.71 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 107.567 -1.271 . . . . 73.42 107.567 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -146.61 146.14 30.32 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.296 1.438 . . . . 65.53 109.139 -170.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.97 133.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.434 1.493 . . . . 74.11 107.495 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.8 m -136.92 156.23 48.73 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.073 1.749 . . . . 72.4 108.941 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -139.07 141.03 38.21 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.612 1.165 . . . . 71.15 109.144 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.93 137.46 58.03 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.341 1.026 . . . . 75.35 113.409 -170.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 125.392 2.52 . . . . 74.32 107.804 178.213 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.195 -1.039 . . . . 73.21 108.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -61.04 -23.37 65.38 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.253 1.575 . . . . 74.3 115.253 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -51.68 124.37 12.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.734 2.014 . . . . 73.43 114.392 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.97 173.11 16.92 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.563 1.078 . . . . 62.3 110.443 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -96.15 142.93 27.74 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.092 1.357 . . . . 72.05 111.595 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -143.47 115.17 8.17 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.204 1.402 . . . . 73.55 108.243 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -72.78 144.06 47.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.738 -0.648 . . . . 63.23 110.567 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.0 125.67 24.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.128 1.371 . . . . 75.14 110.659 170.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.15 -39.92 5.12 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.697 1.248 . . . . 70.53 110.748 -171.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -165.27 163.58 20.05 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.921 1.289 . . . . 74.31 109.484 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.86 158.35 34.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.954 1.302 . . . . 75.34 110.489 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -149.84 134.62 17.71 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.628 1.171 . . . . 71.24 109.147 -171.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 60.45 30.99 20.21 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.11 2.164 . . . . 73.35 112.573 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.3 -52.68 64.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.768 1.227 . . . . 74.43 112.421 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.6 -38.97 92.26 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.455 1.097 . . . . 75.45 113.501 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.03 89.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.613 1.165 . . . . 65.25 112.714 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -73.62 -43.78 58.74 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.419 1.087 . . . . 65.33 113.518 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 tpp -67.43 -23.69 65.56 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 73.11 112.354 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -80.39 -41.46 24.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.971 0.908 . . . . 64.44 111.381 168.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.604 1.335 . . . . 42.53 114.604 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 pt -76.83 -19.54 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.316 1.046 . . . . 75.12 113.509 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 23.3 15.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 117.942 -1.477 . . . . 73.53 113.5 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -76.02 144.32 75.51 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 120.069 1.934 . . . . 73.21 109.699 168.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.29 138.41 55.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.856 2.371 . . . . 73.11 112.217 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.0 -20.22 65.74 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.059 1.503 . . . . 74.13 115.059 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.64 -49.81 76.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.644 1.178 . . . . 71.4 112.278 165.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.46 -16.48 62.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.506 1.522 . . . . 73.52 113.404 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -76.98 -50.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.024 0.929 . . . . 71.25 110.64 169.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -63.88 -32.07 73.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.802 1.038 . . . . 73.04 113.802 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -83.29 -41.67 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 75.32 111.894 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.26 -24.81 76.57 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-O 118.662 -1.076 . . . . 74.13 113.44 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -75.15 -29.55 60.51 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.669 1.235 . . . . 75.03 112.117 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.11 -45.68 32.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.953 1.701 . . . . 72.31 111.313 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.53 109.01 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.095 1.358 . . . . 73.13 110.876 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -72.21 102.81 3.16 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.703 1.201 . . . . 74.41 109.776 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.55 179.12 53.31 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.977 1.423 . . . . 72.05 112.284 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.6 t -136.06 144.9 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.504 1.521 . . . . 70.34 109.145 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -115.67 149.48 38.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.374 1.47 . . . . 73.45 108.911 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -136.41 121.0 18.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.776 -1.564 . . . . 74.12 106.776 168.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -112.51 147.73 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.778 -1.193 . . . . 75.4 107.778 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.43 141.56 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 107.537 -1.283 . . . . 72.01 107.537 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -123.17 124.27 42.66 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.446 1.099 . . . . 74.4 108.603 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -129.82 59.77 1.61 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.477 1.911 . . . . 74.22 108.356 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.75 -121.11 6.59 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 108.726 -1.75 . . . . 72.11 108.726 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -27.97 61.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.453 1.101 . . . . 73.53 112.76 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -75.16 144.46 42.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.349 0.66 . . . . 74.24 110.854 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.31 159.45 40.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.575 1.95 . . . . 75.23 109.733 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -138.08 138.02 38.33 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.463 1.102 . . . . 74.12 108.081 168.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.0 96.34 4.32 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.384 1.474 . . . . 74.03 109.346 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -88.61 136.8 32.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.331 1.02 . . . . 73.11 109.486 170.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.1 mt -137.21 133.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.258 -1.386 . . . . 71.24 107.258 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.6 m -126.44 124.38 40.01 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.08 1.352 . . . . 74.32 108.909 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.05 137.04 1.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.773 1.229 . . . . 73.21 109.375 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.28 31.94 56.4 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.867 -0.963 . . . . 72.42 112.816 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.5 m 67.72 22.69 8.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.906 2.082 . . . . 74.02 114.346 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 159.99 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.625 1.57 . . . . 75.24 109.451 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.84 136.72 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 124.643 1.215 . . . . 74.12 109.384 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 146.96 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 126.355 1.862 . . . . 72.44 107.952 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -136.79 127.52 27.19 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.176 0.99 . . . . 73.31 110.41 164.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -122.29 93.02 3.85 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.39 1.476 . . . . 62.32 109.592 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -67.92 136.71 54.42 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 124.152 0.907 . . . . 53.12 109.806 157.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -160.08 155.36 25.09 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.281 1.032 . . . . 73.13 109.492 167.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -121.62 127.1 50.49 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.936 -1.135 . . . . 74.33 107.936 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.67 130.93 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.05 0.844 . . . . 74.41 111.094 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.47 -6.91 82.93 Favored Glycine 0 CA--C 1.542 1.728 0 CA-C-O 118.142 -1.366 . . . . 74.31 112.856 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -119.78 162.95 18.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.375 1.588 . . . . 71.55 110.249 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.77 141.45 32.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.976 0.911 . . . . 71.35 110.43 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.75 155.63 37.56 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.086 1.754 . . . . 73.13 108.716 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -85.65 122.14 29.33 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.684 0.615 . . . . 74.34 111.465 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.52 110.74 22.16 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 124.649 1.218 . . . . 73.21 109.239 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.17 102.93 0.43 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.353 1.861 . . . . 64.43 110.357 164.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 p -73.3 174.4 8.14 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.649 1.179 . . . . 72.12 111.636 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.6 mmt -60.77 -26.48 67.28 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.337 1.606 . . . . 72.21 115.337 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -81.51 -13.44 58.12 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.01 1.324 . . . . 73.51 113.25 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.81 -9.85 62.15 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.414 1.483 . . . . 72.11 111.902 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.28 131.63 46.98 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 118.93 1.365 . . . . 72.14 110.944 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.61 140.72 34.48 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.245 0.965 . . . . 75.33 109.885 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.69 138.07 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.984 0.914 . . . . 75.31 110.689 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -64.3 139.8 58.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.829 1.652 . . . . 72.22 113.036 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -170.08 152.63 4.34 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.763 1.289 . . . . 74.41 110.916 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.71 136.75 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.796 1.238 . . . . 71.31 108.948 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.89 143.76 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.757 1.223 . . . . 75.24 109.174 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 145.36 51.41 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.317 1.047 . . . . 73.22 110.721 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.46 130.26 56.66 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.331 1.453 . . . . 75.55 109.989 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -94.12 160.34 14.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.015 1.326 . . . . 65.14 109.939 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.31 -4.18 42.66 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 124.963 1.268 . . . . 74.23 114.54 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -107.3 37.44 2.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.474 1.91 . . . . 72.42 111.947 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.95 29.23 10.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.942 1.697 . . . . 63.02 113.334 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -127.62 119.44 25.91 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.219 0.608 . . . . 75.42 111.568 -166.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.79 150.03 26.86 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.699 1.25 . . . . 74.45 110.094 166.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.3 t -134.25 126.65 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.02 -1.474 . . . . 72.15 107.02 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.1 t -148.21 153.23 38.48 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.408 1.483 . . . . 75.01 109.867 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.8 m -137.68 131.34 31.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.453 0.701 . . . . 73.45 110.731 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.0 127.79 11.73 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.134 0.974 . . . . 64.14 110.132 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 50.0 45.68 25.05 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.838 1.655 . . . . 73.3 114.594 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 75.39 2.62 3.88 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.147 1.779 . . . . 73.23 113.999 -176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mt -103.53 102.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.994 1.318 . . . . 74.34 108.809 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -83.3 108.58 16.6 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.65 0.78 . . . . 63.13 109.542 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 t -99.36 142.41 30.88 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.503 1.521 . . . . 74.21 110.829 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.56 121.84 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.051 1.34 . . . . 74.23 107.628 174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.1 m -99.52 152.7 19.71 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.502 1.126 . . . . 71.13 109.259 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -138.94 131.09 28.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.829 1.652 . . . . 71.35 107.327 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.62 136.36 35.01 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.52 -1.289 . . . . 64.42 107.52 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.5 72.92 1.33 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.591 -0.892 . . . . 71.43 108.591 -176.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.69 -118.55 6.59 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 108.627 -1.789 . . . . 44.23 108.627 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.92 5.98 37.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.782 1.633 . . . . 73.33 112.83 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.5 mm -112.31 149.29 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.361 1.464 . . . . 74.42 108.727 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.1 mm -126.15 134.23 66.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.502 1.121 . . . . 74.32 108.34 167.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.8 m -111.19 140.63 45.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.645 -0.872 . . . . 74.24 108.645 166.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -133.82 108.4 8.44 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.466 1.507 . . . . 74.51 108.344 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -104.9 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.297 1.439 . . . . 72.14 109.491 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 48.9 mtt -135.87 161.17 36.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.852 1.661 . . . . 64.32 109.63 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 94.3 m -149.16 108.43 3.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.603 0.761 . . . . 73.11 110.367 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -117.3 102.4 9.22 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.096 1.758 . . . . 72.23 109.436 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.47 -111.32 3.6 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.091 -1.603 . . . . 74.52 109.091 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -106.23 3.94 28.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.863 1.665 . . . . 65.24 113.407 168.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.9 mm -93.99 90.72 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 109.158 -0.682 . . . . 74.05 109.158 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -74.73 131.12 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.313 -0.995 . . . . 63.55 108.313 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -118.74 148.9 42.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.372 1.869 . . . . 72.25 108.488 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 tmmt? -148.77 141.22 24.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.765 0.666 . . . . 73.42 109.812 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -138.11 150.16 46.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.322 1.849 . . . . 65.53 108.583 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.37 135.74 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.749 -1.574 . . . . 74.11 106.749 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.2 m -127.14 157.67 39.11 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.967 1.707 . . . . 72.4 109.039 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -144.05 145.34 32.12 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.884 0.874 . . . . 71.15 109.823 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -55.84 139.17 46.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.52 1.928 . . . . 75.35 113.699 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 105.533 -2.025 . . . . 74.32 105.533 177.349 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.065 -0.346 . . . . 73.21 110.065 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -63.85 -20.95 66.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.726 1.21 . . . . 74.3 113.662 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.7 p -50.03 110.13 0.36 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.587 2.355 . . . . 73.43 113.925 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.24 170.46 24.85 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.399 -1.08 . . . . 62.3 110.399 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -109.19 141.93 40.73 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.392 1.477 . . . . 72.05 109.414 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -136.29 162.59 32.56 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.939 1.696 . . . . 73.55 109.988 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -137.74 142.93 40.98 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.651 0.78 . . . . 63.23 109.915 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.17 117.99 2.94 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.684 2.794 . . . . 75.14 112.256 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -94.88 -44.08 7.9 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 125.064 1.478 . . . . 70.53 110.517 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -164.57 160.08 19.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.643 1.177 . . . . 74.31 110.704 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.62 147.47 17.17 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.39 1.076 . . . . 75.34 110.947 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.9 140.14 50.14 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.149 1.78 . . . . 71.24 108.384 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 57.78 37.96 27.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.24 1.816 . . . . 73.35 113.03 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.2 -52.52 64.96 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.122 0.969 . . . . 74.43 113.329 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.42 -30.93 71.4 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.682 1.239 . . . . 75.45 113.199 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.83 82.34 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.489 1.116 . . . . 65.25 112.601 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -75.81 -43.46 46.03 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.633 1.173 . . . . 65.33 113.466 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -26.96 66.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.537 1.135 . . . . 73.11 112.661 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -74.77 -43.27 55.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.154 1.381 . . . . 64.44 112.101 168.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.96 79.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 42.53 114.581 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -72.22 -23.48 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-O 118.059 -0.972 . . . . 75.12 113.601 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 21.77 15.44 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 118.171 -1.349 . . . . 73.53 112.952 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.22 141.69 86.39 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 119.481 1.64 . . . . 73.21 109.361 167.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -64.6 142.19 76.43 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.269 1.98 . . . . 73.11 111.872 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.14 -24.7 56.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 74.13 114.749 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.46 -48.59 80.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.411 1.484 . . . . 71.4 112.394 170.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.0 -15.57 60.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 73.52 113.684 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.74 -52.75 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.366 0.666 . . . . 71.25 109.748 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -67.42 -27.81 67.37 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.347 1.24 . . . . 73.04 114.347 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -82.02 -47.17 12.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.004 0.922 . . . . 75.32 111.737 172.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.21 -20.42 79.65 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.403 -1.221 . . . . 74.13 114.301 -170.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -65.68 -31.5 72.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.873 1.336 . . . . 75.03 113.593 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -91.03 -19.52 23.1 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.697 1.599 . . . . 72.31 111.871 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.84 142.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.55 1.54 . . . . 73.13 111.994 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -77.62 67.05 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.783 1.633 . . . . 74.41 109.331 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.63 138.86 48.85 Favored Glycine 0 C--N 1.347 1.186 0 C-N-CA 125.806 1.67 . . . . 72.05 111.261 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.54 143.72 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.776 0.83 . . . . 70.34 109.191 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -124.01 154.4 39.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.638 1.175 . . . . 73.45 108.974 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -141.45 141.29 33.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.048 -2.205 . . . . 74.12 105.048 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mt -133.63 139.62 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 107.034 -1.469 . . . . 75.4 107.034 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.32 139.66 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.013 -1.476 . . . . 72.01 107.013 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.02 111.85 17.08 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.808 -1.182 . . . . 74.4 107.808 172.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -119.64 68.55 0.82 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.297 1.839 . . . . 74.22 107.935 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.7 -122.42 8.38 Favored Glycine 0 CA--C 1.533 1.166 0 N-CA-C 109.337 -1.505 . . . . 72.11 109.337 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -71.11 -32.26 68.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 73.53 112.47 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -72.95 140.07 47.18 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.058 0.849 . . . . 74.24 110.61 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -125.73 153.65 43.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.776 1.63 . . . . 75.23 109.05 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -129.43 147.68 51.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.524 1.14 . . . . 74.12 108.062 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -119.24 150.01 40.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 124.771 1.294 . . . . 74.03 108.359 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -129.15 136.04 49.65 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.429 -1.693 . . . . 73.11 106.429 163.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.69 110.52 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.102 -1.444 . . . . 71.24 107.102 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -105.46 137.51 43.16 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.295 1.438 . . . . 74.32 109.946 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.05 -163.65 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.226 1.41 . . . . 73.21 110.18 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.03 -19.71 51.74 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.998 1.761 . . . . 72.42 116.312 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.0 p -163.12 22.7 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.867 1.333 . . . . 74.02 112.711 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 157.61 39.99 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.496 0.718 . . . . 75.24 111.371 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.11 129.69 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 125.18 1.392 . . . . 74.12 108.312 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mt -105.84 146.84 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 126.02 1.728 . . . . 72.44 107.049 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -137.13 141.56 42.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.654 0.782 . . . . 73.31 110.721 165.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -128.5 95.12 4.04 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.886 1.275 . . . . 62.32 108.864 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -73.23 131.92 42.55 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.103 0.877 . . . . 53.12 108.978 160.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.59 165.19 31.16 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.045 0.841 . . . . 73.13 110.839 171.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -129.73 133.0 46.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.467 1.107 . . . . 74.33 108.42 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 135.4 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 123.851 0.72 . . . . 74.41 111.932 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.96 7.45 88.51 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.918 1.247 . . . . 74.31 112.937 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.56 148.65 52.38 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.725 1.61 . . . . 71.55 109.846 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.2 127.3 32.17 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.836 0.71 . . . . 71.35 111.025 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.0 m -143.6 149.2 37.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.522 1.529 . . . . 73.13 109.268 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -80.96 113.63 19.3 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.18 0.592 . . . . 74.34 111.775 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.49 124.05 34.16 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.665 1.228 . . . . 73.21 108.496 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -77.31 129.66 36.15 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.654 1.221 . . . . 64.43 109.806 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 p -92.18 164.51 13.54 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.237 1.015 . . . . 72.12 110.424 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.9 mtt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 115.458 1.651 . . . . 72.21 115.458 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 p -77.53 -8.54 57.97 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.025 1.33 . . . . 73.51 114.229 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.57 15.81 57.8 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-O 118.769 -1.017 . . . . 72.11 112.25 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.59 160.18 26.52 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.609 1.205 . . . . 72.14 110.032 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -132.67 137.5 46.98 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.779 0.832 . . . . 75.33 109.358 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.2 m -145.52 138.27 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 124.288 0.993 . . . . 75.31 111.401 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.24 134.27 44.24 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.216 1.806 . . . . 72.22 111.259 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -165.93 151.6 8.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.094 0.957 . . . . 74.41 111.167 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -98.61 122.2 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.453 1.101 . . . . 71.31 109.33 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.43 146.34 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 124.275 0.985 . . . . 75.24 108.841 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -124.73 155.09 39.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.56 1.144 . . . . 73.22 109.501 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 tt -122.56 125.76 46.36 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.445 1.091 . . . . 75.55 109.339 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -90.1 156.04 18.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.882 1.673 . . . . 65.14 109.041 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.87 3.63 9.27 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.955 1.264 . . . . 74.23 114.823 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -107.73 27.25 9.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.835 2.054 . . . . 72.42 112.344 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.91 27.36 2.14 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.643 1.977 . . . . 63.02 112.779 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -126.2 120.54 30.31 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.429 0.691 . . . . 75.42 112.535 -162.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -90.75 141.28 28.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.216 1.406 . . . . 74.45 109.509 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.49 135.43 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.933 1.293 . . . . 72.15 109.347 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -160.69 171.99 17.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.921 1.288 . . . . 75.01 111.299 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.3 p -139.43 143.57 37.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.315 1.846 . . . . 73.45 108.58 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -155.01 116.31 4.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.133 0.973 . . . . 64.14 109.611 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 56.74 38.46 29.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.591 1.556 . . . . 73.3 113.53 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.72 1.58 3.46 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.528 1.931 . . . . 73.23 114.237 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.16 89.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 107.461 -1.311 . . . . 74.34 107.461 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.63 136.51 56.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.115 1.766 . . . . 63.13 108.857 165.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -140.32 129.65 23.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.082 0.953 . . . . 74.21 108.57 -173.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.17 128.05 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.356 -1.72 . . . . 74.23 106.356 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 m -120.47 125.73 48.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.901 -1.148 . . . . 71.13 107.901 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -121.74 121.19 36.72 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.446 1.091 . . . . 71.35 109.952 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 tp -83.25 127.49 33.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.824 1.25 . . . . 64.42 109.173 168.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -127.92 80.66 1.97 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.064 -1.458 . . . . 71.43 107.064 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.97 -100.71 0.72 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.496 1.046 . . . . 44.23 110.564 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.69 -4.7 40.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.909 1.684 . . . . 73.33 112.407 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.83 143.84 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.814 1.246 . . . . 74.42 109.022 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -120.25 109.12 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.668 1.187 . . . . 74.32 108.015 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -90.1 137.21 32.53 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.291 0.994 . . . . 74.24 108.433 168.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.85 137.36 53.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.43 1.492 . . . . 74.51 107.549 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.3 m -130.43 117.41 19.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.597 -1.631 . . . . 72.14 106.597 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.2 mmm -114.44 136.96 52.43 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.588 -1.264 . . . . 64.32 107.588 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.3 m -134.33 118.89 18.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.23 0.612 . . . . 73.11 109.639 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -120.5 99.35 6.5 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.171 -1.788 . . . . 72.23 106.171 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.61 -123.67 22.91 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 109.386 -1.486 . . . . 74.52 109.386 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.88 -19.45 40.88 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.674 1.19 . . . . 65.24 112.436 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.17 98.92 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.556 0.743 . . . . 74.05 110.305 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.17 107.3 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 124.541 1.15 . . . . 63.55 108.239 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -91.43 134.03 34.97 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 72.25 108.767 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -121.18 143.16 49.27 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.292 -1.373 . . . . 73.42 107.292 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.37 136.62 28.04 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.417 1.887 . . . . 65.53 107.65 -173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.66 130.0 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.034 -1.469 . . . . 74.11 107.034 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.1 m -133.12 154.85 50.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.606 1.562 . . . . 72.4 108.879 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -141.94 147.19 36.62 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.082 0.953 . . . . 71.15 109.744 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -56.54 134.34 54.14 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.655 1.982 . . . . 75.35 114.218 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 104.157 -2.534 . . . . 74.32 104.157 174.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 108.743 -0.836 . . . . 73.21 108.743 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.21 -17.91 59.6 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.272 1.212 . . . . 74.3 114.272 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -56.78 141.85 42.85 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.947 1.699 . . . . 73.43 114.775 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.61 171.76 12.98 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.109 1.338 . . . . 62.3 110.889 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -81.48 141.92 33.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.467 1.507 . . . . 72.05 110.637 171.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -141.15 112.57 7.47 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.021 1.328 . . . . 73.55 107.849 173.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -63.19 143.63 57.62 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 118.729 -0.653 . . . . 63.23 109.812 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tt -72.28 129.71 39.06 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.036 0.835 . . . . 75.14 109.621 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.27 -55.24 3.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 124.166 0.916 . . . . 70.53 110.606 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -161.04 162.33 31.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.683 1.193 . . . . 74.31 110.716 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -155.8 139.65 16.22 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 124.349 1.031 . . . . 75.34 111.633 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.7 143.82 45.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.466 1.906 . . . . 71.24 109.78 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.28 33.55 22.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.217 2.207 . . . . 73.35 112.28 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.36 -48.42 75.6 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.564 1.146 . . . . 74.43 112.756 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -62.29 -41.3 98.37 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.366 1.467 . . . . 75.45 111.742 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.53 84.24 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.555 1.542 . . . . 65.25 113.155 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.56 -42.05 53.22 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.759 1.224 . . . . 65.33 113.594 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.7 64.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.295 1.038 . . . . 73.11 112.214 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -75.84 -38.98 57.49 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.995 1.318 . . . . 64.44 112.094 169.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.89 71.97 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.415 1.265 . . . . 42.53 114.415 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 pt -76.02 -22.21 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 113.363 0.875 . . . . 75.12 113.363 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 23.98 13.49 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.185 -1.342 . . . . 73.53 113.141 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.95 143.88 92.36 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.633 1.716 . . . . 73.21 109.386 166.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -64.78 137.98 56.21 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.423 2.082 . . . . 73.11 111.89 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -51.28 -31.73 22.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.59 1.556 . . . . 74.13 114.479 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.61 -49.63 75.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.037 1.335 . . . . 71.4 112.08 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.38 -17.17 60.85 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.801 1.241 . . . . 73.52 114.182 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.6 mt -72.89 -54.96 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.831 0.741 . . . . 71.25 109.886 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -69.7 -25.21 63.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.008 1.114 . . . . 73.04 114.008 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -83.56 -38.14 22.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.386 1.074 . . . . 75.32 111.98 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.32 -22.91 61.82 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 118.342 -1.254 . . . . 74.13 113.749 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -62.56 -34.35 76.77 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.915 1.358 . . . . 75.03 113.633 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.04 -20.7 37.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.968 1.707 . . . . 72.31 112.98 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -90.97 98.4 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.208 1.003 . . . . 73.13 108.947 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -77.88 105.36 9.02 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.605 -0.887 . . . . 74.41 108.605 169.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.36 -152.54 20.94 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.517 1.136 . . . . 72.05 111.221 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.9 t -137.56 144.71 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.608 . . . . 70.34 108.978 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -112.04 150.25 30.91 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.394 1.478 . . . . 73.45 108.435 167.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -145.98 121.11 10.12 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.417 -0.957 . . . . 74.12 108.417 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mt -117.51 150.14 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 124.52 1.138 . . . . 75.4 108.319 -168.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.14 95.82 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 108.962 -0.755 . . . . 72.01 108.962 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -75.23 132.1 40.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.256 0.622 . . . . 74.4 110.116 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -132.99 66.13 1.57 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.283 2.233 . . . . 74.22 107.234 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.37 -105.2 1.37 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.259 -1.536 . . . . 72.11 109.259 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -31.69 54.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.641 1.176 . . . . 73.53 112.944 175.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -78.83 152.08 31.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.681 0.673 . . . . 74.24 111.814 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -144.77 124.36 13.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.973 2.109 . . . . 75.23 108.6 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -100.4 143.93 30.0 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.12 108.089 165.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -136.26 108.38 7.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.488 1.515 . . . . 74.03 109.339 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -101.81 139.92 36.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.491 1.116 . . . . 73.11 108.696 169.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.33 119.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.123 -1.436 . . . . 71.24 107.123 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -124.24 109.18 13.08 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.392 1.077 . . . . 74.32 108.972 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.41 134.75 9.36 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.902 0.881 . . . . 73.21 110.233 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 20.98 58.78 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 118.56 -1.133 . . . . 72.42 112.86 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t 69.73 39.67 1.46 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.912 2.085 . . . . 74.02 112.648 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 153.8 39.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.771 1.628 . . . . 75.24 108.491 172.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.33 137.12 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 124.677 1.235 . . . . 74.12 109.008 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.94 141.82 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 127.09 2.156 . . . . 72.44 106.747 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -139.41 137.7 35.88 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.854 0.861 . . . . 73.31 111.121 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -136.32 141.79 43.82 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.627 1.971 . . . . 62.32 108.78 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -131.84 138.87 48.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.623 1.569 . . . . 53.12 107.838 169.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -160.34 153.35 21.56 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.267 1.027 . . . . 73.13 111.305 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -112.24 122.69 48.44 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.903 -1.147 . . . . 74.33 107.903 172.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.94 131.74 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 123.898 0.749 . . . . 74.41 111.962 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -14.91 64.42 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.357 1.456 . . . . 74.31 112.41 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -118.43 160.37 21.83 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.073 1.436 . . . . 71.55 110.618 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.34 137.9 46.94 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.885 0.741 . . . . 71.35 110.628 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.05 -176.79 5.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 73.13 107.899 167.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -125.57 112.21 15.93 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.357 -0.979 . . . . 74.34 108.357 -170.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.29 128.46 35.48 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 124.547 1.155 . . . . 73.21 110.412 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.7 148.41 40.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.625 1.97 . . . . 64.43 110.021 164.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.1 p -117.89 175.24 5.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.469 1.108 . . . . 72.12 110.655 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.0 mmt -61.55 -31.98 72.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.161 1.784 . . . . 72.21 113.737 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.7 p -83.53 -7.0 59.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.487 1.515 . . . . 73.51 112.835 171.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.68 65.06 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.443 1.497 . . . . 72.11 112.757 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.21 126.21 26.57 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.104 1.452 . . . . 72.14 111.397 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -96.3 142.76 28.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.413 1.071 . . . . 75.33 110.721 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.05 139.65 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.74 1.216 . . . . 75.31 110.552 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.4 141.78 45.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.866 1.267 . . . . 72.22 112.259 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -173.62 164.38 4.44 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.291 1.436 . . . . 74.41 110.701 -173.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.01 143.31 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.129 1.372 . . . . 71.31 108.788 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.88 146.41 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.476 -0.935 . . . . 75.24 108.476 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -129.01 142.46 50.91 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.587 1.155 . . . . 73.22 109.742 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.4 tp -111.76 130.25 55.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.88 1.272 . . . . 75.55 109.549 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.4 168.17 11.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.167 1.787 . . . . 65.14 110.737 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.9 15.71 19.46 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.992 1.282 . . . . 74.23 113.96 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -135.75 39.71 2.79 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.033 1.416 . . . . 72.42 109.496 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.54 21.27 11.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.07 1.748 . . . . 63.02 113.788 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -115.45 129.82 56.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.227 1.011 . . . . 75.42 111.13 -168.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.4 mt -98.58 152.49 19.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.36 1.064 . . . . 74.45 109.567 167.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.55 139.45 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.848 1.259 . . . . 72.15 109.083 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -157.22 -173.2 4.32 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.784 1.634 . . . . 75.01 110.349 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 p -150.63 143.25 24.48 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.687 1.995 . . . . 73.45 108.406 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -160.03 124.82 3.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.994 0.918 . . . . 64.14 109.832 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? 54.76 40.3 31.85 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.994 1.717 . . . . 73.3 113.646 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t30 72.99 -2.41 2.73 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.202 2.201 . . . . 73.23 114.169 -173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.7 mt -83.37 97.41 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.399 1.079 . . . . 74.34 108.488 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -65.28 112.6 3.54 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.702 1.601 . . . . 63.13 108.976 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 p -120.58 125.72 48.5 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 124.342 1.026 . . . . 74.21 110.123 -166.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -133.78 133.9 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.75 1.62 . . . . 74.23 107.888 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 m -128.23 154.73 45.53 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.857 1.263 . . . . 71.13 109.322 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -146.61 123.64 11.41 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.062 0.945 . . . . 71.35 110.08 174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.0 tp -80.74 140.84 35.33 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.375 1.047 . . . . 64.42 109.176 161.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.19 76.99 1.47 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.269 -1.011 . . . . 71.43 108.269 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.44 -94.22 1.04 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.141 -1.583 . . . . 44.23 109.141 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -116.12 1.63 13.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.845 2.058 . . . . 73.33 112.839 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -102.17 144.99 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.216 1.006 . . . . 74.42 108.299 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.3 mm -121.19 115.87 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 107.924 -1.139 . . . . 74.32 107.924 169.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -93.02 144.49 25.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.962 0.905 . . . . 74.24 108.713 168.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 148.97 52.71 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.962 1.305 . . . . 74.51 108.303 165.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.2 m -141.55 125.38 17.03 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.213 1.405 . . . . 72.14 107.875 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.5 mmt -120.95 113.46 20.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.042 1.337 . . . . 64.32 108.165 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.2 m -110.7 106.29 15.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.29 1.036 . . . . 73.11 109.461 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -110.63 88.88 2.88 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.452 1.501 . . . . 72.23 108.266 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.8 -113.6 5.75 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 124.535 1.147 . . . . 74.52 110.771 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.46 0.78 28.06 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.365 2.266 . . . . 65.24 114.595 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 27.6 mm -109.76 141.51 24.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.593 1.157 . . . . 74.05 109.336 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.66 83.91 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.399 1.08 . . . . 63.55 108.701 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -72.86 142.65 47.96 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.816 1.246 . . . . 72.25 110.293 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -147.0 137.16 23.41 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.047 0.842 . . . . 73.42 108.84 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -129.84 153.93 47.77 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.306 1.442 . . . . 65.53 111.543 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.95 137.26 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.717 1.607 . . . . 74.11 107.327 170.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 m -136.65 154.35 50.66 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.384 1.874 . . . . 72.4 108.824 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -143.64 135.66 26.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.998 0.919 . . . . 71.15 109.312 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.62 131.09 47.86 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.448 1.499 . . . . 75.35 113.542 -173.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 124.97 2.319 . . . . 74.32 107.066 -176.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 109.643 -0.503 . . . . 73.21 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -63.71 -21.04 66.19 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.272 1.582 . . . . 74.3 115.272 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.5 p -59.85 133.3 55.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.595 1.558 . . . . 73.43 114.004 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.24 -175.15 31.8 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 109.841 -1.304 . . . . 62.3 109.841 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.6 139.34 53.96 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.452 1.501 . . . . 72.05 109.057 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -143.88 123.64 13.4 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.264 1.426 . . . . 73.55 110.054 -167.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.45 139.97 34.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.7 0.682 . . . . 63.23 109.347 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.11 124.83 21.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.346 1.858 . . . . 75.14 110.81 168.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -95.7 -44.58 7.39 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.289 1.436 . . . . 70.53 111.047 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -160.87 162.84 32.28 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.853 1.261 . . . . 74.31 110.952 -171.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -154.17 152.75 30.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.748 1.219 . . . . 75.34 110.567 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -136.28 143.39 44.19 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.349 1.46 . . . . 71.24 110.537 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 58.64 31.33 20.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.456 2.303 . . . . 73.35 112.46 -173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.67 -48.68 80.7 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.948 1.699 . . . . 74.43 112.911 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.83 -32.8 69.96 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 124.462 1.101 . . . . 75.45 113.439 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.72 79.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.032 0.933 . . . . 65.25 112.838 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -78.26 -44.33 25.79 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.531 1.532 . . . . 65.33 113.351 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -25.6 62.34 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.38 1.05 . . . . 73.11 112.344 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -74.25 -39.34 63.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.479 1.112 . . . . 64.44 111.829 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.01 73.36 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.458 1.281 . . . . 42.53 114.458 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.8 pt -79.58 -12.66 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 N-CA-C 113.81 1.041 . . . . 75.12 113.81 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.17 22.75 36.96 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.295 -1.281 . . . . 73.53 113.072 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.64 138.97 85.98 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.343 1.572 . . . . 73.21 108.527 164.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -65.03 145.47 85.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.026 1.817 . . . . 73.11 111.977 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -50.85 -30.01 13.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.417 1.887 . . . . 74.13 114.55 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.8 -50.44 73.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.365 1.866 . . . . 71.4 112.888 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.0 -23.76 63.19 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.647 1.579 . . . . 73.52 112.947 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.9 mt -73.3 -51.41 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 123.925 0.89 . . . . 71.25 110.758 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -66.45 -24.81 66.49 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.318 1.229 . . . . 73.04 114.318 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -79.42 -50.46 10.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 75.32 111.823 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.38 -19.17 75.86 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.264 1.412 . . . . 74.13 114.381 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.79 -33.94 75.81 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.882 1.341 . . . . 75.03 112.982 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -85.8 -39.29 17.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.463 1.505 . . . . 72.31 110.395 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.15 105.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.508 1.123 . . . . 73.13 110.149 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 113.0 5.89 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.355 1.034 . . . . 74.41 109.136 168.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.03 171.44 48.27 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 124.169 0.918 . . . . 72.05 111.442 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.78 124.82 54.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.164 -1.421 . . . . 70.34 107.164 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -105.3 143.91 32.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.67 1.588 . . . . 73.45 108.614 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.28 133.34 31.11 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.682 -1.229 . . . . 74.12 107.682 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.08 147.76 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.605 1.191 . . . . 75.4 108.234 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.44 149.62 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.358 1.463 . . . . 72.01 107.502 173.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -135.53 98.35 3.92 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.404 1.082 . . . . 74.4 108.613 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -103.39 73.81 1.23 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.271 1.828 . . . . 74.22 108.232 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 -119.35 7.31 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 108.813 -1.715 . . . . 72.11 108.813 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.26 -25.04 46.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.225 1.01 . . . . 73.53 112.606 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.1 140.33 47.08 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.159 0.584 . . . . 74.24 111.267 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.56 141.57 51.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.209 1.804 . . . . 75.23 109.481 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -112.16 144.82 40.91 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.354 -1.35 . . . . 74.12 107.354 164.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -138.9 89.64 2.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.737 1.615 . . . . 74.03 107.614 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 79.1 m -85.27 128.66 34.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.946 0.898 . . . . 73.11 108.726 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.28 115.19 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.152 -1.055 . . . . 71.24 108.152 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -101.04 131.85 46.73 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.22 1.008 . . . . 74.32 108.952 171.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.53 137.88 0.66 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.468 1.507 . . . . 73.21 108.563 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.41 92.17 Favored Glycine 0 CA--C 1.539 1.579 0 O-C-N 124.115 0.885 . . . . 72.42 111.752 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m 75.67 -34.91 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.208 3.003 . . . . 74.02 114.981 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 162.2 24.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.869 1.268 . . . . 75.24 112.608 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -124.7 125.02 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 124.74 1.275 . . . . 74.12 109.385 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 mt -93.39 143.26 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.404 1.882 . . . . 72.44 107.344 168.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -135.4 93.08 2.92 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.801 0.84 . . . . 73.31 109.623 171.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -74.31 137.23 42.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.442 1.097 . . . . 62.32 109.923 168.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.42 126.53 29.73 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.794 1.638 . . . . 53.12 107.23 174.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -159.23 159.08 33.76 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 124.315 1.01 . . . . 73.13 112.017 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 m -120.72 124.3 44.81 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.697 1.199 . . . . 74.33 108.333 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.5 134.46 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 124.119 0.887 . . . . 74.41 111.738 -176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.33 -12.76 61.8 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.182 1.373 . . . . 74.31 112.497 -173.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -111.48 160.14 17.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.566 1.546 . . . . 71.55 109.938 173.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.2 131.69 36.28 Favored 'General case' 0 C--N 1.345 0.388 0 O-C-N 123.867 0.73 . . . . 71.35 109.703 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 m -143.21 175.28 10.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.14 1.776 . . . . 73.13 108.137 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -115.86 109.34 17.49 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.871 0.468 . . . . 74.34 110.363 -169.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.28 129.52 35.01 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.063 1.345 . . . . 73.21 110.744 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -70.99 153.36 42.7 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.089 1.493 . . . . 64.43 110.764 161.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -116.44 173.55 6.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.647 1.179 . . . . 72.12 111.002 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.5 mmm -58.97 -28.94 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.467 1.507 . . . . 72.21 114.075 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -90.31 -2.33 57.99 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.381 1.472 . . . . 73.51 113.433 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.04 19.74 66.61 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 119.163 -0.799 . . . . 72.11 112.469 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.25 164.64 15.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.654 1.581 . . . . 72.14 109.198 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -133.62 138.58 46.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.072 0.949 . . . . 75.33 110.722 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 143.55 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 75.31 110.964 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -79.73 140.29 37.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.979 1.312 . . . . 72.22 112.411 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.7 t -167.27 150.34 6.29 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.112 1.365 . . . . 74.41 111.288 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.16 109.81 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.303 1.041 . . . . 71.31 108.661 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -81.92 146.5 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 123.855 0.722 . . . . 75.24 109.662 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -120.31 159.61 24.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.404 1.482 . . . . 73.22 110.541 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tt -136.53 129.21 30.59 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.119 1.368 . . . . 75.55 108.835 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.81 171.52 9.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.042 1.337 . . . . 65.14 111.377 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.24 0.4 87.66 Favored Glycine 0 CA--C 1.543 1.811 0 CA-C-O 118.526 -1.152 . . . . 74.23 113.038 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -114.1 40.0 2.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.096 1.759 . . . . 72.42 111.678 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.324 0.3 OUTLIER 50.62 44.0 27.52 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.112 2.165 . . . . 63.02 114.142 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -132.41 146.12 51.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.679 1.592 . . . . 75.42 110.761 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 mt -113.96 152.89 30.21 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.016 1.727 . . . . 74.45 108.639 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.87 139.25 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 124.312 1.045 . . . . 72.15 109.623 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 t -163.84 171.38 15.53 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.972 1.309 . . . . 75.01 110.932 175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.1 m -141.64 140.03 33.17 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.146 1.378 . . . . 73.45 109.948 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.43 125.25 6.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.113 1.365 . . . . 64.14 109.723 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt 56.36 35.78 26.43 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.547 1.539 . . . . 73.3 114.01 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.5 t30 70.53 0.26 3.18 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.962 2.105 . . . . 73.23 114.195 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.79 101.32 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 107.374 -1.343 . . . . 74.34 107.374 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 146.63 54.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.708 1.203 . . . . 63.13 108.707 164.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -137.79 140.97 40.86 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.156 0.982 . . . . 74.21 109.255 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -138.21 118.88 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 125.025 1.453 . . . . 74.23 107.414 171.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.5 m -99.76 147.8 25.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.253 0.971 . . . . 71.13 108.629 168.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -143.71 117.95 9.58 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.537 0.735 . . . . 71.35 110.184 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 tp -81.65 129.08 34.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.752 1.621 . . . . 64.42 109.565 170.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -132.08 73.25 1.52 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.355 1.862 . . . . 71.43 106.931 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.62 -112.15 4.67 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.051 -1.219 . . . . 44.23 110.051 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.1 -2.29 43.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.456 1.502 . . . . 73.33 114.191 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.79 144.98 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 125.062 1.345 . . . . 74.42 109.522 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.07 118.09 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.019 1.327 . . . . 74.32 107.601 167.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -93.83 141.83 28.06 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.801 -0.814 . . . . 74.24 108.801 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -131.93 101.73 5.55 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.888 1.675 . . . . 74.51 107.814 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.8 m -100.64 142.44 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.865 1.266 . . . . 72.14 109.735 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.8 mmt -127.67 154.22 45.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.919 1.287 . . . . 64.32 109.784 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.0 m -137.6 121.63 17.83 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.365 0.666 . . . . 73.11 109.855 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 tt -127.64 102.29 6.77 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 106.781 -1.562 . . . . 72.23 106.781 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.71 13.24 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.403 -1.479 . . . . 74.52 109.403 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -84.42 -19.26 33.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.989 1.316 . . . . 65.24 112.432 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 mm -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 123.838 0.855 . . . . 74.05 110.026 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.5 t -123.03 94.33 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.69 -1.226 . . . . 63.55 107.69 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -83.19 150.35 26.27 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.201 1.4 . . . . 72.25 111.745 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -141.29 149.86 41.8 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 124.059 0.849 . . . . 73.42 109.387 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 -135.4 148.34 49.32 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.464 1.905 . . . . 65.53 108.337 164.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -124.06 135.5 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 106.368 -1.715 . . . . 74.11 106.368 168.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.3 m -128.87 156.04 44.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.952 1.701 . . . . 72.4 108.27 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -143.49 146.73 33.63 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.758 0.823 . . . . 71.15 109.836 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -56.78 138.07 53.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.233 2.213 . . . . 75.35 114.452 -168.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 43.6 pt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 125.463 2.554 . . . . 74.32 107.073 176.377 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.52 -0.548 . . . . 73.21 109.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.55 -17.88 64.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.599 1.56 . . . . 74.3 114.312 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.7 p -59.17 131.11 50.05 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.005 1.322 . . . . 73.43 113.087 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.86 -176.03 31.16 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.265 -1.134 . . . . 62.3 110.265 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -132.04 133.9 44.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.345 1.458 . . . . 72.05 108.61 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -137.8 118.63 14.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.541 1.136 . . . . 73.55 110.654 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -76.91 141.3 40.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.363 0.665 . . . . 63.23 110.42 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.76 128.25 36.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.941 1.696 . . . . 75.14 111.772 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -107.33 -48.7 3.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.804 1.242 . . . . 70.53 110.498 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -159.22 164.45 35.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.35 1.06 . . . . 74.31 110.199 -174.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -162.8 140.16 7.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.483 1.513 . . . . 75.34 109.331 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.1 137.78 45.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.901 1.28 . . . . 71.24 108.044 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.11 37.66 28.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.722 2.009 . . . . 73.35 113.759 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.71 -53.42 58.17 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.124 0.97 . . . . 74.43 113.555 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.75 -30.64 71.33 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.526 1.141 . . . . 75.45 113.493 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.11 61.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.783 1.233 . . . . 65.25 112.988 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -74.96 -40.33 60.81 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.929 1.292 . . . . 65.33 113.339 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 tpp -71.3 -27.14 63.2 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.739 1.216 . . . . 73.11 112.213 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -71.7 -43.41 65.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.015 1.326 . . . . 64.44 111.679 167.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.31 78.04 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.569 1.322 . . . . 42.53 114.569 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.0 pt -79.53 -14.02 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 113.239 0.829 . . . . 75.12 113.239 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.49 17.8 30.13 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-O 117.759 -1.578 . . . . 73.53 113.747 169.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.37 140.77 95.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 120.098 1.949 . . . . 73.21 110.153 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -64.17 142.12 78.89 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.47 2.113 . . . . 73.11 111.602 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.51 -23.86 64.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.188 1.181 . . . . 74.13 114.188 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.84 -38.1 86.93 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.347 0.869 . . . . 71.4 113.347 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.63 -23.72 58.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.726 1.21 . . . . 73.52 112.761 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.74 -49.7 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.039 0.936 . . . . 71.25 111.06 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -69.17 -23.44 63.94 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.659 1.184 . . . . 73.04 114.109 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -91.38 -31.34 16.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.261 1.024 . . . . 75.32 111.81 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.2 -23.77 62.68 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.681 -1.066 . . . . 74.13 112.875 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -72.1 -32.4 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.707 1.253 . . . . 75.03 112.374 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.57 -48.24 17.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.665 1.586 . . . . 72.31 110.956 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.5 mm -65.03 118.58 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.845 1.258 . . . . 73.13 110.967 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -66.13 104.94 1.25 Allowed 'General case' 0 C--N 1.344 0.369 0 O-C-N 124.817 1.323 . . . . 74.41 110.041 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.43 160.6 54.09 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 124.717 1.261 . . . . 72.05 111.005 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.23 126.89 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 107.656 -1.239 . . . . 70.34 107.656 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m -101.4 158.75 15.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.453 1.501 . . . . 73.45 109.278 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.59 136.89 18.66 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.405 1.482 . . . . 74.12 107.178 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -129.25 143.75 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.855 -1.535 . . . . 75.4 106.855 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -128.43 135.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 106.53 -1.655 . . . . 72.01 106.53 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -122.72 122.2 38.18 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.157 -1.053 . . . . 74.4 108.157 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -127.16 73.5 1.43 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.159 1.783 . . . . 74.22 107.368 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 -119.41 7.93 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.416 -1.473 . . . . 72.11 109.416 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -72.42 -30.34 64.54 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.505 1.122 . . . . 73.53 112.63 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -75.59 144.0 42.04 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.968 0.792 . . . . 74.24 111.773 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -132.12 148.75 52.5 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 126.739 2.016 . . . . 75.23 109.676 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -126.51 140.73 52.23 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.097 -1.446 . . . . 74.12 107.097 164.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.01 121.61 32.14 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.278 1.431 . . . . 74.03 108.17 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.2 m -124.8 127.76 47.68 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.192 1.397 . . . . 73.11 107.982 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.15 125.65 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.245 -1.021 . . . . 71.24 108.245 -174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -120.95 127.0 51.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.753 1.221 . . . . 74.32 108.688 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.35 1.66 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.443 1.097 . . . . 73.21 108.511 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 22.92 67.92 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 118.788 -1.007 . . . . 72.42 112.078 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t 77.01 -26.77 0.18 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.726 2.81 . . . . 74.02 114.531 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.78 143.09 51.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.372 1.069 . . . . 75.24 110.732 170.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.5 t -121.92 134.72 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 124.776 1.298 . . . . 74.12 108.981 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.06 134.3 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 106.612 -1.625 . . . . 72.44 106.612 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.58 136.76 50.19 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 124.172 0.92 . . . . 73.31 110.554 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -128.37 149.61 50.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.77 2.028 . . . . 62.32 108.659 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -134.41 143.27 47.49 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.752 1.221 . . . . 53.12 109.113 167.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -158.04 161.54 38.06 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 124.567 1.167 . . . . 73.13 111.407 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -123.66 127.14 47.79 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.125 -1.435 . . . . 74.33 107.125 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.69 139.53 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 123.974 0.796 . . . . 74.41 112.377 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.3 -2.07 87.68 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.637 1.589 . . . . 74.31 112.381 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -131.8 156.72 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.576 1.55 . . . . 71.55 110.527 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.97 128.48 35.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.551 1.14 . . . . 71.35 110.697 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.6 m -142.76 159.89 41.38 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.495 1.518 . . . . 73.13 109.602 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.18 114.74 27.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.479 0.711 . . . . 74.34 110.8 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.51 134.76 44.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.491 1.516 . . . . 73.21 109.648 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.66 169.69 15.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.427 . . . . 64.43 110.934 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -133.74 172.7 12.41 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.026 1.33 . . . . 72.12 110.971 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 66.2 mmm -63.22 -28.41 70.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.39 1.476 . . . . 72.21 113.636 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -82.66 -24.52 33.7 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.393 1.477 . . . . 73.51 112.815 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.15 1.64 41.61 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-O 117.934 -1.481 . . . . 72.11 112.88 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.2 152.38 45.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.786 1.793 . . . . 72.14 110.966 167.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -122.74 138.71 54.54 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.736 1.272 . . . . 75.33 109.092 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.21 143.41 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.48 1.112 . . . . 75.31 110.457 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -73.45 136.13 44.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.616 1.166 . . . . 72.22 111.071 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -163.5 141.63 7.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 124.453 1.096 . . . . 74.41 110.743 -174.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -87.38 140.98 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.307 1.043 . . . . 71.31 109.655 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 t -117.45 141.49 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 124.448 1.093 . . . . 75.24 108.737 172.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -114.77 165.25 13.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.987 1.715 . . . . 73.22 109.409 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -136.79 115.2 11.82 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.95 145.54 32.56 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.683 1.239 . . . . 65.14 109.461 168.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.32 -13.12 48.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.509 1.528 . . . . 74.23 114.106 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.47 24.56 0.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.1 2.16 . . . . 72.42 113.019 171.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.283 0.6 OUTLIER 52.87 43.63 31.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 129.503 3.121 . . . . 63.02 113.882 -175.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -124.84 107.5 10.97 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.755 1.222 . . . . 75.42 109.642 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.32 140.66 55.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.075 0.95 . . . . 74.45 109.312 161.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -141.1 131.25 26.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 124.175 0.922 . . . . 72.15 109.357 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -157.2 169.42 24.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.968 1.307 . . . . 75.01 111.013 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.6 p -146.6 119.59 8.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.087 1.355 . . . . 73.45 109.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -134.41 124.99 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.699 1.2 . . . . 64.14 108.754 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt 55.44 38.06 29.75 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.221 1.809 . . . . 73.3 114.23 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 t30 71.8 -7.16 1.3 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.54 1.936 . . . . 73.23 114.027 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.3 mt -77.75 109.15 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.713 -1.217 . . . . 74.34 107.713 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.41 34.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.71 1.604 . . . . 63.13 109.316 168.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -144.11 128.93 18.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.57 -0.9 . . . . 74.21 108.57 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.84 135.3 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.573 -1.64 . . . . 74.23 106.573 168.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 m -125.56 131.85 52.67 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 124.386 1.054 . . . . 71.13 108.596 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.8 129.2 34.18 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 124.198 0.936 . . . . 71.35 111.458 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.33 94.08 6.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.495 1.918 . . . . 64.42 110.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.77 74.33 7.48 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.238 1.015 . . . . 71.43 109.056 172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.1 -92.25 0.74 Allowed Glycine 0 C--N 1.346 1.12 0 N-CA-C 109.7 -1.36 . . . . 44.23 109.7 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.08 -1.44 13.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.64 1.976 . . . . 73.33 112.49 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.7 mm -109.17 128.88 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 124.302 1.041 . . . . 74.42 108.403 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.4 mm -103.96 116.63 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.467 1.107 . . . . 74.32 109.168 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.4 m -94.51 134.25 37.24 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 124.503 1.127 . . . . 74.24 107.966 164.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -114.78 137.52 51.84 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.507 -1.664 . . . . 74.51 106.507 161.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.8 m -133.46 114.97 14.22 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.003 -1.48 . . . . 72.14 107.003 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.6 mmm -125.04 125.03 43.2 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.804 1.315 . . . . 64.32 108.859 -172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.8 m -126.55 118.58 25.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.297 0.499 . . . . 73.11 110.73 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.7 tp -120.15 94.7 4.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.35 1.46 . . . . 72.23 107.774 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.95 -126.29 28.9 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 110.057 -1.217 . . . . 74.52 110.057 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.04 -19.3 61.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.474 1.51 . . . . 65.24 113.037 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.2 mm -83.77 123.33 38.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.633 0.773 . . . . 74.05 109.847 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.23 94.76 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.617 -1.253 . . . . 63.55 107.617 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -80.83 145.91 31.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.697 1.199 . . . . 72.25 110.572 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -136.49 156.19 48.93 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.285 -1.006 . . . . 73.42 108.285 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -144.02 130.24 19.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.715 2.006 . . . . 65.53 106.362 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -126.91 119.61 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.264 -1.754 . . . . 74.11 106.264 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 m -130.09 153.48 48.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.948 1.299 . . . . 72.4 109.008 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -136.38 138.01 41.14 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.71 1.204 . . . . 71.15 109.922 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -64.19 127.95 33.66 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.051 1.34 . . . . 75.35 113.396 -170.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 103.766 -2.679 . . . . 74.32 103.766 178.61 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.279 -1.008 . . . . 73.21 108.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.06 -26.38 67.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.577 1.151 . . . . 74.3 113.99 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -54.72 129.3 36.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.722 2.009 . . . . 73.43 114.249 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.74 -175.08 32.2 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.104 -1.198 . . . . 62.3 110.104 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -114.01 141.99 46.73 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.226 1.81 . . . . 72.05 108.939 171.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -144.09 113.02 6.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 124.568 1.167 . . . . 73.55 109.203 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.98 137.75 39.21 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 123.093 0.557 . . . . 63.23 110.062 172.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.24 126.94 29.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.083 1.753 . . . . 75.14 111.678 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -101.94 -44.73 5.41 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.216 1.806 . . . . 70.53 110.579 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -154.13 164.24 38.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.236 1.414 . . . . 74.31 110.213 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.66 155.81 32.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.957 1.303 . . . . 75.34 110.201 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -143.5 142.18 31.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.793 1.237 . . . . 71.24 108.077 -166.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 56.64 29.76 16.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.768 1.627 . . . . 73.35 112.911 -171.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.61 -57.1 14.45 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.291 1.037 . . . . 74.43 113.31 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.73 -39.74 95.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.807 1.243 . . . . 75.45 112.735 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.99 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.255 1.422 . . . . 65.25 113.188 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -79.11 -41.18 29.24 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.268 1.027 . . . . 65.33 112.767 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -27.49 67.77 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.537 1.148 . . . . 73.11 112.398 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.81 -46.53 57.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.436 1.494 . . . . 64.44 111.616 168.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.54 74.18 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.038 1.495 . . . . 42.53 115.038 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 pt -76.22 -17.13 15.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.628 0.973 . . . . 75.12 113.628 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.2 19.34 30.87 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-O 118.267 -1.296 . . . . 73.53 113.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.54 139.29 83.73 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 119.466 1.633 . . . . 73.21 109.167 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.72 145.11 74.38 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.284 1.989 . . . . 73.11 111.814 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.2 -27.9 37.23 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.697 1.369 . . . . 74.13 114.697 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.78 -46.69 84.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.38 1.472 . . . . 71.4 112.363 172.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.39 -25.0 60.38 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.11 1.364 . . . . 73.52 113.218 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.2 mt -69.71 -52.28 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 71.25 110.206 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -70.49 -31.06 68.02 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.315 1.228 . . . . 73.04 114.315 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.78 -10.81 54.91 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.081 -0.961 . . . . 75.32 112.857 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.18 -19.9 9.11 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.082 -1.399 . . . . 74.13 112.88 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -64.62 -38.2 90.2 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.467 1.633 . . . . 75.03 113.381 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.13 -19.02 44.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 72.31 112.86 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -86.33 96.06 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.162 0.985 . . . . 73.13 109.631 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' H ' ' HD3' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -70.29 124.18 23.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.043 0.937 . . . . 74.41 109.972 167.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 -171.75 28.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.722 1.264 . . . . 72.05 111.217 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -129.58 148.8 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.688 1.595 . . . . 70.34 108.397 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 m -128.35 119.91 25.98 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.086 0.867 . . . . 73.45 109.891 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -78.1 148.07 34.37 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.256 0.973 . . . . 74.12 108.632 160.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -134.2 148.82 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 106.481 -1.674 . . . . 75.4 106.481 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.06 148.11 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 125.243 1.417 . . . . 72.01 107.624 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -136.92 103.62 5.22 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.626 -1.25 . . . . 74.4 107.626 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -110.67 70.81 0.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.364 1.866 . . . . 74.22 108.064 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.39 -119.35 7.76 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 109.031 -1.628 . . . . 72.11 109.031 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.24 -31.49 62.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.059 -0.972 . . . . 73.53 112.612 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -70.36 141.94 52.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.749 0.656 . . . . 74.24 111.245 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -129.18 148.53 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.622 1.969 . . . . 75.23 108.799 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.13 146.87 50.23 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.715 -1.217 . . . . 74.12 107.715 165.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.94 142.91 50.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.033 1.333 . . . . 74.03 107.545 162.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.8 m -126.16 125.76 43.0 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.338 -2.097 . . . . 73.11 105.338 162.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.47 105.63 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.349 -1.723 . . . . 71.24 106.349 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -116.96 117.83 30.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.27 1.028 . . . . 74.32 109.967 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.18 146.28 8.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.919 1.288 . . . . 73.21 109.084 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.05 25.15 75.98 Favored Glycine 0 CA--C 1.54 1.644 0 CA-C-O 118.871 -0.961 . . . . 72.42 113.378 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.4 t 66.58 37.62 4.41 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.891 2.076 . . . . 74.02 113.282 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 151.76 35.64 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.025 1.33 . . . . 75.24 109.142 172.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -121.17 117.97 54.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.795 1.309 . . . . 74.12 108.408 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.45 144.22 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 107.39 -1.337 . . . . 72.44 107.39 166.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.66 140.5 49.36 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.624 0.578 . . . . 73.31 110.922 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -118.05 139.8 50.69 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 124.434 1.084 . . . . 62.32 108.219 169.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -132.19 117.94 18.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 106.673 -1.603 . . . . 53.12 106.673 174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -149.44 166.06 30.25 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 124.667 1.229 . . . . 73.13 111.181 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -129.48 123.79 32.4 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.686 -1.227 . . . . 74.33 107.686 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.97 122.76 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 124.118 0.886 . . . . 74.41 111.596 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.07 59.62 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.328 1.442 . . . . 74.31 112.638 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -122.1 154.69 37.03 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.568 1.684 . . . . 71.55 110.479 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -78.67 129.71 35.03 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.087 0.867 . . . . 71.35 109.63 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.5 m -130.62 -164.22 1.4 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.655 1.582 . . . . 73.13 107.685 173.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -127.18 123.97 37.9 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.769 -0.826 . . . . 74.34 108.769 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.07 125.23 50.77 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.256 1.423 . . . . 73.21 109.93 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -76.47 162.86 27.48 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.232 1.583 . . . . 64.43 110.754 169.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.4 p -137.36 175.59 9.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.148 0.979 . . . . 72.12 110.717 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.8 mmm -51.16 -38.36 51.67 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.23 2.212 . . . . 72.21 114.444 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -78.57 -15.97 57.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.189 1.796 . . . . 73.51 114.043 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.92 7.92 73.52 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 118.687 -1.063 . . . . 72.11 112.545 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.42 148.44 48.35 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 118.953 1.377 . . . . 72.14 110.439 166.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -125.1 137.32 54.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.425 1.09 . . . . 75.33 109.055 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.48 145.87 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 124.227 0.954 . . . . 75.31 111.261 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -69.36 134.22 48.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.05 1.34 . . . . 72.22 112.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 t -169.82 153.61 4.95 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.779 1.3 . . . . 74.41 111.341 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.69 148.31 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.792 1.637 . . . . 71.31 110.067 170.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.05 145.5 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.156 -1.054 . . . . 75.24 108.156 168.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -122.0 162.98 20.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.649 1.58 . . . . 73.22 110.039 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.77 129.14 21.21 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.427 1.091 . . . . 75.55 109.775 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -92.09 171.61 8.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.799 1.64 . . . . 65.14 110.896 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.93 4.49 65.72 Favored Glycine 0 CA--C 1.542 1.772 0 CA-C-O 118.745 -1.031 . . . . 74.23 112.963 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.47 36.02 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.568 1.947 . . . . 72.42 112.109 -172.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.83 33.82 22.29 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.463 1.905 . . . . 63.02 114.117 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -128.21 115.54 18.51 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.291 . . . . 75.42 111.297 -168.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 mt -83.33 148.69 27.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.691 1.596 . . . . 74.45 109.428 163.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.6 t -145.48 140.67 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.137 0.975 . . . . 72.15 109.958 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -154.79 166.07 34.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.955 1.702 . . . . 75.01 110.108 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -139.98 127.51 21.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.863 0.865 . . . . 73.45 110.405 173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -142.13 125.11 16.17 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.595 1.558 . . . . 64.14 109.925 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 60.07 32.38 20.98 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.498 1.519 . . . . 73.3 113.4 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.5 t30 71.91 -2.2 2.59 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.38 2.272 . . . . 73.23 114.253 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.7 mt -84.27 96.97 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.367 -1.346 . . . . 74.34 107.367 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.79 139.3 57.78 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.208 -1.034 . . . . 63.13 108.208 163.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 t -135.44 143.1 45.73 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.242 1.017 . . . . 74.21 109.176 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.39 133.35 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.835 1.654 . . . . 74.23 107.002 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -117.45 122.8 44.75 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 108.268 -1.012 . . . . 71.13 108.268 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -122.54 104.54 9.43 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.023 1.329 . . . . 71.35 109.796 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.15 146.76 45.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.958 1.703 . . . . 64.42 111.058 173.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.48 68.89 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.53 1.932 . . . . 71.43 107.538 -177.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.86 -104.44 1.32 Allowed Glycine 0 CA--C 1.533 1.21 0 N-CA-C 109.776 -1.329 . . . . 44.23 109.776 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.95 -1.18 57.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.893 1.677 . . . . 73.33 113.243 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -112.1 145.93 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.199 1.0 . . . . 74.42 109.246 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.9 mm -126.13 119.73 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.974 1.31 . . . . 74.32 107.579 168.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -91.66 137.12 32.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.739 -1.208 . . . . 74.24 107.739 162.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.26 126.38 50.45 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 106.271 -1.751 . . . . 74.51 106.271 165.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.7 m -122.71 142.28 50.87 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.142 -1.058 . . . . 72.14 108.142 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.7 mtt -131.85 153.5 50.12 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.919 0.888 . . . . 64.32 110.013 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.3 m -138.5 115.2 10.66 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.407 1.083 . . . . 73.11 109.333 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 tt -121.19 103.63 9.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.699 -1.963 . . . . 72.23 105.699 171.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.8 -122.81 23.09 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 109.56 -1.416 . . . . 74.52 109.56 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.42 -21.94 30.57 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.966 1.307 . . . . 65.24 112.513 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.31 114.82 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.463 0.705 . . . . 74.05 109.974 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 67.5 t -108.81 85.41 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 124.615 1.197 . . . . 63.55 108.569 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -66.37 147.65 52.99 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.951 1.3 . . . . 72.25 112.331 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -144.39 155.74 43.91 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.078 0.861 . . . . 73.42 109.935 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -144.64 148.34 34.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.546 2.338 . . . . 65.53 108.165 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.87 128.99 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 105.195 -2.15 . . . . 74.11 105.195 166.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -128.18 153.8 46.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.025 1.73 . . . . 72.4 108.171 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -142.03 143.67 33.25 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.678 0.791 . . . . 71.15 110.273 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.16 132.93 51.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.938 2.095 . . . . 75.35 114.393 -167.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 47.3 pt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 125.505 2.574 . . . . 74.32 107.056 173.736 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 109.841 -0.429 . . . . 73.21 109.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.19 -20.94 63.34 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.066 1.746 . . . . 74.3 114.593 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 m -55.02 123.54 13.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.648 1.979 . . . . 73.43 113.383 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.09 179.4 31.11 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 110.327 -1.109 . . . . 62.3 110.327 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -118.81 135.95 54.26 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.802 1.641 . . . . 72.05 108.658 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -138.92 116.55 11.39 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.191 1.397 . . . . 73.55 109.707 -168.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -76.44 141.91 41.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.828 -0.434 . . . . 63.23 109.828 171.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD22 ' H ' ' A' ' 37' ' ' GLY . 58.3 tp -55.12 128.62 34.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.204 1.801 . . . . 75.14 111.921 169.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.5 -58.51 1.91 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 124.861 1.351 . . . . 70.53 109.369 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -161.44 169.58 21.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.539 1.135 . . . . 74.31 110.191 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 pm0 -158.16 149.37 21.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.191 1.397 . . . . 75.34 109.865 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.78 142.29 46.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.96 1.304 . . . . 71.24 109.787 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 57.97 39.32 26.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.452 2.301 . . . . 73.35 113.161 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.7 -53.16 61.22 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.939 1.296 . . . . 74.43 112.738 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.64 -38.75 92.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.918 1.687 . . . . 75.45 112.408 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.97 88.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.995 1.318 . . . . 65.25 112.9 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.41 -42.79 61.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.71 1.204 . . . . 65.33 112.132 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.01 62.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.578 1.151 . . . . 73.11 112.916 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -73.62 -46.04 49.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.586 1.155 . . . . 64.44 111.309 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.67 80.18 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 125.197 1.399 . . . . 42.53 114.379 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.5 pt -75.24 -16.27 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 N-CA-C 114.024 1.12 . . . . 75.12 114.024 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.64 22.26 37.4 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-O 118.503 -1.165 . . . . 73.53 113.12 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.54 141.71 93.42 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.141 1.47 . . . . 73.21 109.036 166.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.52 139.06 74.11 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.17 1.914 . . . . 73.11 111.459 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -52.77 -28.1 20.88 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.261 1.424 . . . . 74.13 114.153 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.27 -49.19 78.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.798 1.639 . . . . 71.4 112.27 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.61 -22.28 65.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.998 1.319 . . . . 73.52 113.815 172.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -73.88 -55.11 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 118.822 0.737 . . . . 71.25 110.175 174.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -71.94 -25.46 61.9 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.797 1.036 . . . . 73.04 113.797 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -81.6 -35.07 30.54 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.003 0.921 . . . . 75.32 111.466 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.75 -21.11 64.38 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 118.429 -1.206 . . . . 74.13 113.874 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -68.88 -36.22 77.82 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.014 1.407 . . . . 75.03 112.382 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 -25.6 35.89 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.133 1.373 . . . . 72.31 113.906 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.13 100.49 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.48 0.582 . . . . 73.13 109.508 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 99.89 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.501 1.92 . . . . 74.41 111.188 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' H ' HD22 ' A' ' 9' ' ' LEU . . . -73.72 172.65 50.71 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 114.852 -1.067 . . . . 72.05 112.115 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.2 t -137.56 143.93 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.208 1.403 . . . . 70.34 107.655 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -115.91 147.52 41.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.327 1.451 . . . . 73.45 108.708 169.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -140.46 112.43 7.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.659 -1.238 . . . . 74.12 107.659 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -111.24 146.88 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.029 -1.1 . . . . 75.4 108.029 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.3 104.26 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.917 0.887 . . . . 72.01 108.788 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.33 132.95 34.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.539 1.136 . . . . 74.4 109.861 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -135.8 68.88 1.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.116 1.766 . . . . 74.22 107.748 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.73 -106.18 1.74 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.365 -1.494 . . . . 72.11 109.365 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -37.75 51.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.323 1.049 . . . . 73.53 112.625 174.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -74.74 148.15 40.72 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 123.649 0.593 . . . . 74.24 111.812 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.03 115.56 9.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.958 2.103 . . . . 75.23 108.804 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -94.1 136.91 33.88 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.802 1.314 . . . . 74.12 107.503 163.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.81 139.81 53.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.528 1.531 . . . . 74.03 107.658 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 m -133.3 142.3 48.41 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.146 -1.427 . . . . 73.11 107.146 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -140.97 141.7 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.785 -1.561 . . . . 71.24 106.785 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -137.42 126.47 24.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.023 -1.102 . . . . 74.32 108.023 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.3 154.02 10.11 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 73.21 109.892 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.42 -84.18 0.97 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.088 -1.205 . . . . 72.42 110.088 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 84.9 p -163.91 24.74 0.08 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.02 1.728 . . . . 74.02 111.362 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 152.91 40.56 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.385 1.074 . . . . 75.24 110.902 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.37 131.94 62.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 125.048 1.468 . . . . 74.12 109.0 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mt -104.23 141.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 128.025 2.53 . . . . 72.44 108.349 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -139.8 131.03 26.59 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.359 1.037 . . . . 73.31 109.32 166.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -123.34 138.44 54.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.158 1.783 . . . . 62.32 107.291 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -135.0 125.84 27.38 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.359 1.064 . . . . 53.12 108.282 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -152.57 157.78 41.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.684 1.24 . . . . 73.13 111.231 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -122.04 126.34 48.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.21 126.75 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.915 0.759 . . . . 74.41 111.978 -169.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 3.87 68.95 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.18 1.372 . . . . 74.31 112.644 -171.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -129.03 146.45 51.0 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.273 1.536 . . . . 71.55 110.128 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.88 118.88 18.33 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.014 0.926 . . . . 71.35 110.681 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.28 152.13 44.25 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.336 1.455 . . . . 73.13 109.183 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -90.61 110.43 21.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.484 0.49 . . . . 74.34 111.339 -172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.71 140.34 29.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.469 1.508 . . . . 73.21 110.387 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 158.26 20.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.215 1.806 . . . . 64.43 111.203 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -129.36 162.6 27.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.601 1.56 . . . . 72.12 109.945 172.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.8 mmt -53.22 -29.47 32.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.107 1.763 . . . . 72.21 115.692 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.1 p -78.25 -8.88 58.88 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.276 1.431 . . . . 73.51 114.065 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.72 81.39 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.476 -1.18 . . . . 72.11 112.375 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.8 146.67 52.68 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.012 1.406 . . . . 72.14 110.35 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -128.21 137.25 51.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 124.331 1.019 . . . . 75.33 109.763 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -143.56 140.88 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.49 1.116 . . . . 75.31 111.55 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -70.1 137.69 51.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.904 1.681 . . . . 72.22 111.179 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -167.59 147.41 5.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.362 1.065 . . . . 74.41 110.582 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.7 t -91.88 114.55 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.532 -0.914 . . . . 71.31 108.532 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.64 147.19 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.497 -0.927 . . . . 75.24 108.497 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -121.03 156.5 32.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.427 1.091 . . . . 73.22 110.129 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.0 126.78 52.52 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 124.982 1.426 . . . . 75.55 108.27 169.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.79 165.51 13.23 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.892 1.677 . . . . 65.14 110.073 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.31 -1.74 81.98 Favored Glycine 0 CA--C 1.539 1.574 0 CA-C-O 118.32 -1.267 . . . . 74.23 114.675 -172.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.42 51.85 1.06 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.389 1.476 . . . . 72.42 111.271 -172.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.17 41.06 19.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.617 2.367 . . . . 63.02 114.297 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -133.88 143.97 48.61 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.405 1.482 . . . . 75.42 111.119 -171.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.0 mt -116.11 149.67 38.61 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.648 1.979 . . . . 74.45 108.422 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.9 t -142.08 139.71 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.152 0.981 . . . . 72.15 109.44 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.6 t -155.0 170.26 22.17 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.371 1.468 . . . . 75.01 110.171 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -140.27 129.02 23.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.07 0.948 . . . . 73.45 109.141 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.15 131.88 27.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.981 1.313 . . . . 64.14 108.067 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.53 47.9 22.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.75 1.62 . . . . 73.3 114.903 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 73.75 -3.57 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.387 1.875 . . . . 73.23 113.858 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.79 104.77 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.457 1.503 . . . . 74.34 108.473 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.77 127.78 33.57 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.803 0.689 . . . . 63.13 109.412 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 t -117.25 140.69 49.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 74.21 109.602 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.5 135.47 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 106.992 -1.485 . . . . 74.23 106.992 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 m -127.02 145.47 50.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.137 0.975 . . . . 71.13 108.774 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -146.57 141.14 26.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.499 0.72 . . . . 71.35 111.168 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.5 tp -111.59 94.11 4.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.664 1.986 . . . . 64.42 108.743 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -95.17 78.05 3.5 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.007 0.923 . . . . 71.43 109.007 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.77 -113.73 5.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 109.433 -1.467 . . . . 44.23 109.433 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.42 0.3 57.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.892 1.677 . . . . 73.33 113.465 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 mm -105.94 136.7 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.619 1.168 . . . . 74.42 108.285 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mm -111.26 128.11 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.296 1.038 . . . . 74.32 108.754 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 m -105.98 141.72 36.9 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.551 1.157 . . . . 74.24 108.488 167.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.25 147.95 47.71 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.243 1.417 . . . . 74.51 107.636 162.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 88.8 m -136.68 135.4 38.18 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.183 1.393 . . . . 72.14 107.414 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.6 mmt -122.07 144.89 48.64 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.179 1.392 . . . . 64.32 108.178 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.8 m -138.29 89.62 2.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.032 0.933 . . . . 73.11 108.582 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 tp -101.78 105.35 16.2 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 125.687 1.595 . . . . 72.23 109.256 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.27 -102.75 0.32 Allowed Glycine 0 CA--C 1.536 1.351 0 O-C-N 124.775 1.297 . . . . 74.52 111.685 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.15 -11.77 27.58 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.122 1.769 . . . . 65.24 112.751 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.7 mm -101.94 136.71 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.06 1.344 . . . . 74.05 110.315 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.1 t -120.41 94.25 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.548 1.139 . . . . 63.55 108.134 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -84.44 146.9 27.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.051 1.341 . . . . 72.25 111.125 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -145.62 150.36 36.2 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.398 -0.964 . . . . 73.42 108.398 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.03 139.8 26.35 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.018 1.727 . . . . 65.53 108.675 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.6 129.29 55.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 107.363 -1.347 . . . . 74.11 107.363 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -133.51 155.37 49.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.669 1.588 . . . . 72.4 108.362 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -139.68 143.07 36.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.598 0.759 . . . . 71.15 110.285 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.3 129.8 43.45 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.974 1.71 . . . . 75.35 114.055 -169.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.2 pt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 125.378 2.513 . . . . 74.32 107.558 178.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 110.445 -0.206 . . . . 73.21 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -65.4 -18.45 65.33 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.186 1.18 . . . . 74.3 114.186 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -57.01 138.0 54.94 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.859 . . . . 73.43 114.377 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.04 23.02 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 124.281 0.988 . . . . 62.3 110.913 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -109.15 141.12 41.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.627 1.971 . . . . 72.05 108.966 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -142.56 106.1 4.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.012 1.325 . . . . 73.55 110.062 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -70.6 141.16 51.78 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.743 0.817 . . . . 63.23 111.16 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.27 124.66 19.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.726 1.61 . . . . 75.14 111.308 167.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -98.79 -49.13 4.68 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.516 1.135 . . . . 70.53 110.608 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.7 167.52 20.95 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 124.369 1.068 . . . . 74.31 111.07 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -157.99 150.03 22.0 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.512 1.125 . . . . 75.34 110.769 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -129.51 141.56 50.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.747 1.619 . . . . 71.24 109.551 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 58.7 29.3 18.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.153 2.181 . . . . 73.35 112.84 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.21 -52.72 64.39 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.56 1.544 . . . . 74.43 111.871 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.99 -35.25 80.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.718 1.261 . . . . 75.45 113.632 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.84 76.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.726 1.211 . . . . 65.25 112.791 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -76.63 -40.14 50.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.357 1.463 . . . . 65.33 113.333 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -26.84 62.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.5 1.12 . . . . 73.11 112.244 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -72.03 -40.26 68.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.477 1.111 . . . . 64.44 111.581 166.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.58 -22.31 65.38 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.882 1.438 . . . . 42.53 114.882 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 pt -92.44 -11.48 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.059 0.944 . . . . 75.12 113.064 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.84 22.43 39.17 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.137 -1.368 . . . . 73.53 113.961 170.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.0 145.72 98.96 Favored Pre-proline 0 CA--C 1.551 0.986 0 CA-C-N 119.625 1.712 . . . . 73.21 110.502 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.22 138.14 65.04 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.842 2.361 . . . . 73.11 112.413 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.77 -26.42 65.68 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.486 1.662 . . . . 74.13 115.486 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -64.84 -43.0 94.47 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 71.4 112.869 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -71.23 -18.64 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.833 1.253 . . . . 73.52 112.941 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.96 -53.85 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.551 0.741 . . . . 71.25 110.368 168.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.61 -26.19 65.23 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.1 1.519 . . . . 73.04 115.1 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -98.18 -26.04 14.69 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 118.157 -0.925 . . . . 75.32 112.098 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -25.72 69.59 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-O 118.94 -0.922 . . . . 74.13 112.412 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -72.06 -29.47 64.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.226 1.013 . . . . 75.03 112.176 171.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.13 -45.15 20.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.602 1.561 . . . . 72.31 111.257 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.9 mm -66.26 114.46 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.562 1.145 . . . . 73.13 111.227 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -74.65 127.01 32.06 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 124.51 1.132 . . . . 74.41 109.855 168.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.07 -174.97 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 125.102 1.501 . . . . 72.05 110.225 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.67 138.79 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.94 1.296 . . . . 70.34 107.768 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -113.21 134.68 54.46 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.757 1.223 . . . . 73.45 108.274 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.75 144.35 41.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 108.574 -0.898 . . . . 74.12 108.574 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.83 143.69 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.843 -1.539 . . . . 75.4 106.843 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -140.92 94.53 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.319 -0.993 . . . . 72.01 108.319 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.06 122.96 25.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.353 1.061 . . . . 74.4 109.906 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -129.86 67.08 1.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.247 1.819 . . . . 74.22 107.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.59 -121.73 6.92 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 108.685 -1.766 . . . . 72.11 108.685 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -31.38 68.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.031 0.932 . . . . 73.53 112.593 171.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -71.58 150.17 44.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.052 0.941 . . . . 74.24 112.167 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.08 141.75 36.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.848 2.059 . . . . 75.23 109.157 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -106.41 148.88 27.59 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 124.631 1.207 . . . . 74.12 109.754 153.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -135.57 93.12 2.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.67 1.988 . . . . 74.03 107.967 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 m -84.66 141.65 30.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.099 0.96 . . . . 73.11 109.292 170.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -140.24 115.2 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.386 -1.339 . . . . 71.24 107.386 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -111.84 121.54 45.33 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.384 1.074 . . . . 74.32 108.989 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 136.49 1.79 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.552 1.141 . . . . 73.21 109.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.78 61.2 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-O 118.886 -0.952 . . . . 72.42 113.066 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.5 m 63.97 40.74 7.04 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.678 1.991 . . . . 74.02 113.433 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.48 150.74 32.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.689 1.596 . . . . 75.24 108.061 171.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.4 114.68 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.599 1.187 . . . . 74.12 108.625 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.0 141.46 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 107.884 -1.154 . . . . 72.44 107.884 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -129.4 138.54 51.55 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 124.387 1.054 . . . . 73.31 108.533 160.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -131.8 138.25 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 62.32 107.949 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -122.14 139.99 53.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 125.597 1.811 . . . . 53.12 109.193 172.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.55 163.29 40.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 124.948 1.405 . . . . 73.13 110.614 171.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -133.05 121.99 23.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.247 -1.39 . . . . 74.33 107.247 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -72.15 128.04 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 123.922 0.764 . . . . 74.41 111.824 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.95 1.98 69.64 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.297 -1.28 . . . . 74.31 112.297 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -130.51 153.08 49.2 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 125.633 1.573 . . . . 71.55 110.007 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.18 122.93 29.03 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.715 0.806 . . . . 71.35 110.62 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 99.4 m -138.34 161.36 37.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.089 1.356 . . . . 73.13 110.372 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.1 99.76 9.29 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.294 1.038 . . . . 74.34 110.654 -162.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD11 ' HG1' ' A' ' 93' ' ' THR . 84.6 mt -90.27 139.72 30.38 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.849 1.26 . . . . 73.21 111.969 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.86 153.14 25.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.517 1.927 . . . . 64.43 110.349 169.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -115.03 160.66 19.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.612 1.565 . . . . 72.12 109.702 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.64 -22.45 34.41 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 116.359 1.985 . . . . 72.21 116.359 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -78.98 -23.11 44.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.699 1.6 . . . . 73.51 113.685 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.24 6.02 29.87 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.799 1.19 . . . . 72.11 112.986 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 157.77 30.59 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.3 1.55 . . . . 72.14 109.676 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -132.4 144.21 50.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.134 0.974 . . . . 75.33 111.269 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.81 150.28 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.665 1.186 . . . . 75.31 111.473 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.73 146.05 36.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.472 1.509 . . . . 72.22 111.792 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -170.73 142.56 1.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.386 1.474 . . . . 74.41 110.5 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.42 127.74 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.497 0.719 . . . . 71.31 109.231 169.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 150.63 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 124.74 1.275 . . . . 75.24 108.331 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -130.64 155.62 46.27 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.353 1.061 . . . . 73.22 110.455 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -121.65 133.49 54.97 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 125.105 1.503 . . . . 75.55 108.226 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.05 168.2 9.6 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.961 1.413 . . . . 65.14 110.426 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 1.45 21.23 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.581 1.563 . . . . 74.23 115.893 -170.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -118.37 37.5 4.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.655 1.582 . . . . 72.42 112.163 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.334 0.0 OUTLIER 56.74 38.08 29.25 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.675 1.99 . . . . 63.02 113.99 178.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -127.21 134.58 50.09 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 124.614 1.166 . . . . 75.42 111.096 -171.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.83 149.52 26.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.618 1.567 . . . . 74.45 109.196 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -142.88 135.38 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 72.15 109.361 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.508 ' HG1' HD11 ' A' ' 71' ' ' LEU . 9.8 t -148.3 159.84 43.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.886 1.674 . . . . 75.01 110.358 178.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.2 m -138.27 110.17 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.39 0.676 . . . . 73.45 110.809 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -133.14 133.45 42.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.214 1.406 . . . . 64.14 109.848 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt 40.67 63.14 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.249 2.22 . . . . 73.3 114.927 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . 0.289 4.3 p30 67.1 -9.07 0.4 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.753 2.421 . . . . 73.23 116.084 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.5 mt -95.41 110.7 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 124.948 1.299 . . . . 74.34 109.29 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -79.94 101.08 8.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.603 1.561 . . . . 63.13 108.016 168.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 t -99.1 140.95 32.5 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.485 1.114 . . . . 74.21 110.874 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -133.42 140.8 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.434 1.894 . . . . 74.23 107.381 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -128.61 150.7 50.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.061 0.944 . . . . 71.13 108.7 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -143.82 118.05 9.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.039 0.936 . . . . 71.35 109.557 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -75.73 135.93 40.34 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.768 1.292 . . . . 64.42 108.582 160.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.36 73.16 1.23 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.092 -1.077 . . . . 71.43 108.092 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.8 -100.93 1.37 Allowed Glycine 0 C--N 1.346 1.104 0 N-CA-C 108.715 -1.754 . . . . 44.23 108.715 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -109.61 -6.14 15.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.317 1.847 . . . . 73.33 112.369 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.49 130.11 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.403 1.081 . . . . 74.42 108.452 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.9 mm -113.25 115.75 50.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.348 -0.982 . . . . 74.32 108.348 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.8 m -96.65 139.27 32.97 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.127 0.892 . . . . 74.24 108.631 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -123.53 137.7 54.71 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 106.979 -1.489 . . . . 74.51 106.979 168.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.0 m -134.53 137.64 44.0 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.47 1.108 . . . . 72.14 108.721 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.5 mtt -137.5 101.78 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.319 1.047 . . . . 64.32 109.906 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 99.8 m -85.46 110.65 19.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.504 1.122 . . . . 73.11 110.03 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tt -111.46 90.84 3.45 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.886 2.074 . . . . 72.23 107.18 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.78 -102.88 0.81 Allowed Glycine 0 CA--C 1.536 1.38 0 N-CA-C 110.213 -1.155 . . . . 74.52 110.213 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.51 -6.08 19.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.455 1.502 . . . . 65.24 112.439 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -92.73 144.01 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.762 1.225 . . . . 74.05 108.721 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.7 t -131.19 93.56 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.905 -0.776 . . . . 63.55 108.905 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.89 151.59 44.57 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.418 1.087 . . . . 72.25 111.867 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -149.62 144.67 26.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.632 1.208 . . . . 73.42 108.977 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -122.23 158.14 30.1 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.528 1.131 . . . . 65.53 110.14 161.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.68 127.01 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 105.75 -1.944 . . . . 74.11 105.75 165.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 m -126.69 160.15 31.61 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.734 1.614 . . . . 72.4 108.518 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -146.83 140.01 25.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.611 0.764 . . . . 71.15 110.25 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.21 136.17 57.87 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 126.304 1.841 . . . . 75.35 113.81 -171.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 103.301 -2.852 . . . . 74.32 103.301 175.161 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 106.19 -1.782 . . . . 73.55 106.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 57.59 -158.98 0.27 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.45 1.9 . . . . 73.41 113.06 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -78.18 -21.78 49.63 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.319 -0.848 . . . . 75.41 112.86 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 57.64 32.3 21.65 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.682 1.993 . . . . 64.34 113.496 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 65.9 t60 60.38 87.67 0.09 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.581 1.952 . . . . 73.11 110.581 -167.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 135.63 57.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.21 1.004 . . . . 74.14 111.99 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.94 139.62 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.274 1.43 . . . . 53.41 109.08 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -84.08 147.63 27.26 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.543 1.137 . . . . 75.2 111.264 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 64.36 37.39 8.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.082 1.753 . . . . 75.43 112.659 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -80.95 135.84 35.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.574 1.15 . . . . 73.21 109.983 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.86 69.36 6.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.223 1.009 . . . . 74.3 108.634 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -135.49 111.22 9.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.882 1.273 . . . . 73.43 109.075 -171.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -172.22 34.67 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.087 -1.205 . . . . 62.3 110.087 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -125.65 136.46 53.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.116 1.366 . . . . 72.05 108.498 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.77 121.7 13.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 73.55 109.724 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.27 145.08 30.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.092 0.557 . . . . 63.23 110.049 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.48 124.35 17.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.584 1.553 . . . . 75.14 111.222 166.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -94.18 -49.41 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 124.407 1.067 . . . . 70.53 109.748 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.7 p -164.43 171.64 14.42 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.157 1.383 . . . . 74.31 110.585 -175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -161.79 147.22 13.37 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.151 1.38 . . . . 75.34 110.235 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.67 142.09 51.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.385 1.874 . . . . 71.24 109.967 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.77 30.1 18.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.057 2.143 . . . . 73.35 112.725 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.1 -50.17 74.74 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.418 1.487 . . . . 74.43 113.195 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.47 -34.35 76.98 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.712 1.257 . . . . 75.45 113.109 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.93 79.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.722 1.209 . . . . 65.25 112.96 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -77.79 -42.99 32.01 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 124.818 1.247 . . . . 65.33 113.906 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.26 65.32 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.337 1.023 . . . . 73.11 111.894 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmmt? -76.82 -37.07 56.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.269 1.427 . . . . 64.44 112.349 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.93 65.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.507 1.299 . . . . 42.53 114.507 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 pt -87.84 -18.84 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 123.919 0.888 . . . . 75.12 112.608 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.17 29.39 9.68 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.272 -1.294 . . . . 73.53 113.393 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.7 146.48 95.81 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 119.512 1.656 . . . . 73.21 109.826 165.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.17 137.49 61.66 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.692 2.261 . . . . 73.11 112.32 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.03 -27.24 63.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.15 1.78 . . . . 74.13 115.088 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.11 -50.56 71.4 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.015 0.926 . . . . 71.4 112.982 168.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.13 -21.54 66.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.044 1.337 . . . . 73.52 113.308 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.72 -61.06 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.85 0.86 . . . . 71.25 109.914 168.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -64.4 -24.26 67.57 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.672 1.73 . . . . 73.04 115.672 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -90.8 -41.27 11.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.296 -0.859 . . . . 75.32 111.262 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.9 -19.51 69.74 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.054 1.312 . . . . 74.13 114.22 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -66.28 -34.51 78.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.834 1.317 . . . . 75.03 113.34 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.95 -17.18 22.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.199 1.4 . . . . 72.31 112.664 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.48 112.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 N-CA-C 108.816 -0.809 . . . . 73.13 108.816 170.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 119.28 10.34 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 124.809 1.318 . . . . 74.41 110.412 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.08 168.24 24.41 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.569 1.168 . . . . 72.05 110.394 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.09 148.41 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.648 1.579 . . . . 70.34 108.092 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -126.26 149.75 48.88 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.171 1.388 . . . . 73.45 109.011 170.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -143.06 109.09 5.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.797 -1.186 . . . . 74.12 107.797 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.25 146.18 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 107.466 -1.309 . . . . 75.4 107.466 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.28 103.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 109.134 -0.691 . . . . 72.01 109.134 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.16 124.78 28.66 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.262 -0.644 . . . . 74.4 109.262 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -126.09 74.23 1.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.136 1.774 . . . . 74.22 106.998 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 -120.87 7.15 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.874 -1.69 . . . . 72.11 108.874 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -25.71 56.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 117.975 -1.012 . . . . 73.53 112.756 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -71.99 147.94 46.42 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.802 0.841 . . . . 74.24 111.586 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -141.27 123.27 15.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.202 1.801 . . . . 75.23 109.503 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -91.65 146.07 24.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.531 1.144 . . . . 74.12 110.144 156.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -136.39 100.83 4.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 126.006 1.722 . . . . 74.03 107.853 171.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -95.48 139.63 31.49 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.133 0.896 . . . . 73.11 108.686 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -138.8 133.09 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.025 -1.472 . . . . 71.24 107.025 173.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -130.95 125.29 33.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.301 1.04 . . . . 74.32 108.922 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.17 149.38 4.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.682 1.593 . . . . 73.21 108.935 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.18 22.68 77.45 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-O 118.926 -0.93 . . . . 72.42 113.012 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 m 65.67 23.12 11.63 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.4 2.28 . . . . 74.02 114.379 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 151.35 50.45 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.424 1.49 . . . . 75.24 109.472 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.83 141.49 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.904 1.282 . . . . 74.12 108.905 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.99 131.04 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.863 -1.903 . . . . 72.44 105.863 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.83 136.42 54.91 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 124.086 0.866 . . . . 73.31 109.431 167.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -125.14 147.13 49.16 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 125.322 1.639 . . . . 62.32 109.05 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -130.6 137.1 49.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 125.728 1.893 . . . . 53.12 107.992 168.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -153.09 170.53 20.26 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.661 1.226 . . . . 73.13 109.964 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 m -134.36 127.13 31.04 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.58 137.94 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.672 0.607 . . . . 74.41 111.761 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.39 -13.18 58.69 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.05 1.309 . . . . 74.31 112.334 -172.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -110.04 160.76 16.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.564 1.945 . . . . 71.55 109.412 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -92.72 129.57 38.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.947 0.899 . . . . 71.35 109.984 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.7 m -143.05 156.56 44.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.102 1.361 . . . . 73.13 109.608 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.42 112.98 25.12 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.821 0.848 . . . . 74.34 110.233 -174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -99.19 124.84 44.56 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.943 1.297 . . . . 73.21 110.468 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.6 148.39 27.18 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.709 2.003 . . . . 64.43 110.536 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 p -121.22 172.87 7.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.051 1.341 . . . . 72.12 110.67 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.4 mmt -57.01 -33.16 66.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.114 1.766 . . . . 72.21 114.181 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -75.82 -15.47 60.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.234 1.813 . . . . 73.51 113.611 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.09 60.95 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-O 117.874 -1.514 . . . . 72.11 112.933 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.56 140.46 57.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.852 1.826 . . . . 72.14 111.483 173.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -114.99 133.66 55.84 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 125.184 1.552 . . . . 75.33 107.918 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.78 140.35 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 O-C-N 124.255 0.972 . . . . 75.31 109.565 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -72.14 137.26 46.87 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.158 0.911 . . . . 72.22 111.626 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -165.15 144.94 6.89 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.933 1.395 . . . . 74.41 110.126 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.62 140.17 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.075 0.95 . . . . 71.31 109.092 171.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -111.66 139.23 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.186 0.929 . . . . 75.24 108.858 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -113.54 158.26 20.99 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.654 1.581 . . . . 73.22 110.215 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -137.58 137.6 38.71 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.225 1.41 . . . . 75.55 109.046 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.73 159.33 16.84 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.09 1.356 . . . . 65.14 109.657 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.16 21.11 1.8 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.732 1.634 . . . . 74.23 114.179 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.62 22.69 9.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.319 1.848 . . . . 72.42 110.688 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 69.9 30.44 3.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.755 1.622 . . . . 63.02 112.412 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -113.26 148.42 35.61 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.212 1.005 . . . . 75.42 110.346 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.9 mt -121.7 151.77 40.12 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.546 1.539 . . . . 74.45 108.491 167.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.47 128.39 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 124.492 1.117 . . . . 72.15 108.881 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -146.33 143.26 29.01 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.709 1.204 . . . . 75.01 110.213 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -125.26 120.81 32.25 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.623 0.769 . . . . 73.45 109.89 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -143.92 126.05 15.51 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.413 1.085 . . . . 64.14 109.753 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp 59.4 29.09 18.61 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.009 1.324 . . . . 73.3 113.36 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 t30 72.45 5.5 5.27 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.458 2.303 . . . . 73.23 114.371 -170.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.3 mt -87.0 101.71 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 125.123 1.369 . . . . 74.34 107.889 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -81.75 82.83 7.31 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.251 1.82 . . . . 63.13 109.692 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 t -76.46 137.14 39.5 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.853 0.861 . . . . 74.21 111.62 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -134.75 133.96 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.87 1.668 . . . . 74.23 106.848 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -123.06 153.43 39.9 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.649 1.18 . . . . 71.13 108.882 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -149.67 122.07 8.47 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.647 0.779 . . . . 71.35 110.279 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.8 135.57 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.44 1.496 . . . . 64.42 109.014 168.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.69 81.24 1.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.073 -1.084 . . . . 71.43 108.073 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.15 -104.98 1.66 Allowed Glycine 0 C--N 1.346 1.136 0 N-CA-C 108.815 -1.714 . . . . 44.23 108.815 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -102.57 -2.98 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.384 1.874 . . . . 73.33 112.713 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.1 mm -109.61 137.27 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.527 1.131 . . . . 74.42 109.395 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 50.5 mm -115.02 110.52 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.337 1.055 . . . . 74.32 108.948 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -89.66 141.63 28.43 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.488 1.117 . . . . 74.24 108.821 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.94 146.51 47.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.653 1.581 . . . . 74.51 108.18 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.6 m -142.95 142.43 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.932 1.693 . . . . 72.14 107.499 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 47.0 mtt -137.52 122.23 18.66 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.075 0.95 . . . . 64.32 108.771 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 m -113.23 110.76 20.92 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.921 0.763 . . . . 73.11 109.938 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.33 107.86 13.46 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.636 -1.246 . . . . 72.23 107.636 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.55 -94.69 0.66 Allowed Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.587 -1.405 . . . . 74.52 109.587 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -124.56 -5.28 7.64 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.47 1.508 . . . . 65.24 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.5 mm -84.4 112.45 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.676 0.791 . . . . 74.05 109.419 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.1 t -100.94 84.46 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.451 1.094 . . . . 63.55 108.112 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.88 144.22 50.76 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.497 1.119 . . . . 72.25 110.683 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -148.27 145.02 28.02 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.437 1.086 . . . . 73.42 109.153 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.73 139.4 29.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.383 1.873 . . . . 65.53 108.292 -163.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.02 124.52 46.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.728 -1.212 . . . . 74.11 107.728 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 m -134.26 154.97 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.462 1.505 . . . . 72.4 109.696 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -144.03 142.98 30.97 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.662 1.185 . . . . 71.15 110.003 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -53.07 135.23 37.69 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 126.61 1.964 . . . . 75.35 114.02 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 124.419 2.057 . . . . 74.32 106.462 176.214 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 44.0 t60 . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 103.069 -2.937 . . . . 73.55 103.069 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.94 94.83 2.88 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.056 0.943 . . . . 73.41 110.154 170.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 66.45 172.63 0.24 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.691 1.996 . . . . 75.41 113.578 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 29.5 m80 65.58 -172.26 0.19 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.331 1.852 . . . . 64.34 113.581 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -144.97 154.84 42.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.11 0.964 . . . . 73.11 111.261 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -145.04 49.59 1.27 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.038 1.335 . . . . 74.14 111.461 -164.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.63 154.15 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 125.01 1.324 . . . . 53.41 112.65 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . 60.34 -162.34 0.26 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.669 1.988 . . . . 75.2 114.068 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 ptm -96.01 45.81 1.08 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.116 0.966 . . . . 75.43 110.179 164.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 167.28 17.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.803 1.241 . . . . 73.21 110.93 164.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -55.89 -25.21 41.62 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.048 1.87 . . . . 74.3 116.048 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -59.01 134.83 57.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.412 1.485 . . . . 73.43 114.995 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.94 177.76 19.11 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 124.688 1.243 . . . . 62.3 110.076 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -102.66 140.24 37.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.739 1.616 . . . . 72.05 109.51 171.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -139.7 109.75 6.45 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.919 1.288 . . . . 73.55 109.856 -173.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -75.15 141.46 43.69 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.966 0.506 . . . . 63.23 111.045 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.24 130.27 38.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.857 2.063 . . . . 75.14 112.658 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -103.43 -58.38 1.88 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.835 1.334 . . . . 70.53 109.908 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -153.25 161.98 41.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.594 1.158 . . . . 74.31 110.963 -170.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -156.33 148.19 22.97 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.371 1.044 . . . . 75.34 110.419 173.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -121.19 142.03 50.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.052 1.741 . . . . 71.24 108.895 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 58.04 36.91 26.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.977 2.111 . . . . 73.35 112.772 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.21 -53.36 57.89 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.786 1.234 . . . . 74.43 112.366 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -40.01 95.07 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.088 1.755 . . . . 75.45 112.437 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.4 85.24 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.569 1.548 . . . . 65.25 112.875 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -75.85 -42.8 48.5 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 124.233 1.013 . . . . 65.33 113.019 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -27.92 67.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.331 1.019 . . . . 73.11 112.493 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.45 -48.29 56.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 64.44 111.601 166.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.37 73.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.916 1.45 . . . . 42.53 114.916 -173.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.85 -17.27 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 N-CA-C 113.567 0.951 . . . . 75.12 113.567 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 18.64 28.99 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 118.094 -1.392 . . . . 73.53 113.182 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.05 140.91 88.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.618 1.709 . . . . 73.21 109.863 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -64.92 143.66 80.19 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.664 2.242 . . . . 73.11 112.109 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.71 -30.55 44.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.202 1.556 . . . . 74.13 115.202 -173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.32 -34.05 74.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.383 -0.818 . . . . 71.4 113.069 177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.92 -20.62 59.63 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 117.88 -1.057 . . . . 73.52 113.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.26 -53.85 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.447 0.699 . . . . 71.25 109.953 171.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -67.47 -22.02 65.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.89 1.441 . . . . 73.04 114.89 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -90.25 -46.69 8.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.643 0.777 . . . . 75.32 110.562 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -19.18 70.29 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.326 1.441 . . . . 74.13 114.562 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.07 -26.44 66.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.888 1.344 . . . . 75.03 113.381 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -110.12 -8.51 14.78 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.945 1.698 . . . . 72.31 113.787 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 55' ' ' GLY . 47.6 mm -75.4 103.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 119.527 1.058 . . . . 73.13 109.159 170.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 98.22 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.275 2.23 . . . . 74.41 111.241 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.18 165.15 54.59 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.382 1.051 . . . . 72.05 111.677 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.24 137.94 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 107.565 -1.272 . . . . 70.34 107.565 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 t -111.21 156.85 20.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.113 1.365 . . . . 73.45 108.637 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -142.21 144.45 33.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.224 -1.398 . . . . 74.12 107.224 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -138.16 151.2 24.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.751 -1.203 . . . . 75.4 107.751 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 t -141.32 140.81 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.317 1.447 . . . . 72.01 107.296 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -123.66 126.08 45.94 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.419 1.088 . . . . 74.4 108.752 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -133.91 70.09 1.46 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.33 1.852 . . . . 74.22 108.063 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.65 -114.51 5.14 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.427 -1.469 . . . . 72.11 109.427 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.06 -29.93 49.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.472 1.109 . . . . 73.53 112.468 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.59 137.98 44.62 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 74.24 110.889 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -124.89 149.92 47.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.654 1.582 . . . . 75.23 108.864 169.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -132.06 132.08 43.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.882 -1.525 . . . . 74.12 106.882 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -115.55 149.58 37.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.303 1.441 . . . . 74.03 109.137 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -130.48 140.67 50.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.321 1.848 . . . . 73.11 106.915 166.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -137.58 122.72 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.2 -1.778 . . . . 71.24 106.2 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -123.09 112.54 17.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.943 1.297 . . . . 74.32 108.484 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.48 139.25 5.56 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.696 1.198 . . . . 73.21 109.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' H ' HG23 ' A' ' 35' ' ' ILE . . . 84.04 32.07 24.41 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-O 118.755 -1.025 . . . . 72.42 112.284 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t 65.17 28.59 12.12 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.487 1.915 . . . . 74.02 113.213 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 150.91 32.23 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.192 1.397 . . . . 75.24 109.243 -177.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.2 t -110.91 141.47 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.146 1.379 . . . . 74.12 108.549 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.79 135.74 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.076 -1.824 . . . . 72.44 106.076 165.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -123.64 143.52 50.19 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.383 1.073 . . . . 73.31 108.705 165.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -144.59 113.66 6.9 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.811 1.245 . . . . 62.32 109.922 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -79.79 152.24 29.88 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 125.317 1.636 . . . . 53.12 110.409 161.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -163.5 163.34 24.76 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.122 1.369 . . . . 73.13 109.431 161.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -127.16 122.59 34.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.405 -1.332 . . . . 74.33 107.405 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.66 125.83 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 124.096 0.873 . . . . 74.41 110.975 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.07 -11.01 58.68 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-O 117.985 -1.453 . . . . 74.31 111.954 -171.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -119.19 158.19 26.46 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.614 1.707 . . . . 71.55 111.112 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.4 125.26 30.84 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.61 1.194 . . . . 71.35 110.585 169.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.7 m -134.93 154.06 51.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.68 1.592 . . . . 73.13 108.495 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.63 113.32 25.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.368 0.667 . . . . 74.34 111.027 -177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.24 132.9 36.99 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.279 1.432 . . . . 73.21 109.948 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.24 139.8 30.25 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.174 1.39 . . . . 64.43 109.644 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.9 p -100.81 175.12 5.74 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.001 1.321 . . . . 72.12 111.53 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.7 mtt -67.39 -26.49 66.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.69 1.196 . . . . 72.21 114.116 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -78.91 -16.48 56.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.553 1.141 . . . . 73.51 112.891 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.81 5.57 61.15 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.757 -1.024 . . . . 72.11 112.718 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.27 154.25 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.967 1.307 . . . . 72.14 110.855 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -126.21 129.2 48.5 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.218 1.007 . . . . 75.33 108.842 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.3 m -144.49 134.45 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.737 1.215 . . . . 75.31 111.19 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -71.45 143.55 50.03 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.068 1.347 . . . . 72.22 113.03 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -171.49 147.65 2.41 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.071 1.482 . . . . 74.41 110.898 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -77.11 140.05 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.011 . . . . 71.31 110.228 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.52 142.96 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.477 1.11 . . . . 75.24 108.699 170.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -120.2 157.8 28.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.129 1.772 . . . . 73.22 109.01 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -133.96 132.57 40.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.712 1.205 . . . . 75.55 108.991 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -94.43 -171.15 2.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.534 1.534 . . . . 65.14 110.334 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.98 -27.51 33.94 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 119.03 -0.872 . . . . 74.23 112.918 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -91.59 29.38 1.52 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.491 1.517 . . . . 72.42 111.94 -170.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.01 42.89 9.51 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.102 1.761 . . . . 63.02 111.3 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -117.46 121.4 40.94 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.951 0.901 . . . . 75.42 109.588 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.78 149.47 25.72 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.101 0.876 . . . . 74.45 109.277 163.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.6 t -141.79 130.92 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.566 1.166 . . . . 72.15 108.103 172.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 t -160.79 171.6 18.52 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.498 1.519 . . . . 75.01 109.863 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 p -141.54 139.78 33.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.494 1.518 . . . . 73.45 109.346 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -149.77 122.0 8.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.009 0.924 . . . . 64.14 108.659 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.27 42.23 28.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.855 1.662 . . . . 73.3 114.411 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.9 t30 73.17 -3.14 2.52 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.176 1.79 . . . . 73.23 113.789 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.8 mt -91.2 97.72 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.742 -1.207 . . . . 74.34 107.742 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.28 133.14 52.17 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.916 0.886 . . . . 63.13 109.402 164.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 p -135.47 111.6 9.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.513 1.133 . . . . 74.21 109.341 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.88 132.26 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 O-C-N 125.393 1.683 . . . . 74.23 107.315 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.4 m -115.6 150.58 36.44 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.96 -1.126 . . . . 71.13 107.96 167.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -142.64 133.78 25.96 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.881 0.738 . . . . 71.35 110.467 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 141.21 30.73 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.263 1.825 . . . . 64.42 108.275 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -140.66 74.28 1.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.648 -1.242 . . . . 71.43 107.648 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.38 -92.55 0.5 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.143 1.354 . . . . 44.23 110.603 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 4.19 21.86 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.643 1.977 . . . . 73.33 111.917 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.0 mm -117.87 142.65 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.173 1.389 . . . . 74.42 108.245 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.8 mm -124.36 128.59 73.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.416 1.086 . . . . 74.32 108.893 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.4 m -114.26 148.69 37.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.387 . . . . 74.24 108.941 172.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -131.24 150.42 52.15 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.206 1.402 . . . . 74.51 108.365 163.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.5 m -138.66 112.73 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.563 1.545 . . . . 72.14 107.054 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 38.0 mmm -115.42 89.2 3.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.199 1.4 . . . . 64.32 108.329 -173.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -81.99 119.23 23.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.588 1.555 . . . . 73.11 111.334 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -120.3 77.5 1.27 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.759 1.223 . . . . 72.23 107.992 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.89 -112.59 4.95 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.946 1.26 . . . . 74.52 110.332 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.47 -12.6 61.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.455 1.902 . . . . 65.24 113.559 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.69 140.77 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.624 1.17 . . . . 74.05 108.827 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.27 85.69 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.521 -0.918 . . . . 63.55 108.521 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -70.11 145.5 51.54 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.199 0.6 . . . . 72.25 110.536 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -146.01 149.21 33.71 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 107.567 -1.271 . . . . 73.42 107.567 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -146.61 146.14 30.32 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.296 1.438 . . . . 65.53 109.139 -170.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.97 133.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.434 1.493 . . . . 74.11 107.495 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.8 m -136.92 156.23 48.73 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.073 1.749 . . . . 72.4 108.941 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -139.07 141.03 38.21 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.612 1.165 . . . . 71.15 109.144 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.93 137.46 58.03 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.341 1.026 . . . . 75.35 113.409 -170.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 125.392 2.52 . . . . 74.32 107.804 178.213 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 N--CA 1.5 2.071 0 N-CA-C 103.539 -2.763 . . . . 73.55 103.539 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -98.3 148.02 24.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.559 1.144 . . . . 73.41 111.327 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.07 -178.58 0.21 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.983 2.113 . . . . 75.41 112.728 -175.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -115.55 -10.91 11.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.986 0.914 . . . . 64.34 113.444 -172.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -119.23 154.28 33.65 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.269 1.428 . . . . 73.11 108.012 169.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -69.57 136.98 51.99 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 123.839 0.712 . . . . 74.14 111.048 168.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.79 143.47 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 124.842 1.339 . . . . 53.41 108.59 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -127.52 26.52 5.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.7 1.2 . . . . 75.2 111.608 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtp -125.45 66.16 1.15 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.535 1.534 . . . . 75.43 108.529 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -113.37 132.54 55.56 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.302 1.441 . . . . 73.21 108.195 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -61.04 -23.37 65.38 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.253 1.575 . . . . 74.3 115.253 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -51.68 124.37 12.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.734 2.014 . . . . 73.43 114.392 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.97 173.11 16.92 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.563 1.078 . . . . 62.3 110.443 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -96.15 142.93 27.74 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.092 1.357 . . . . 72.05 111.595 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -143.47 115.17 8.17 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.204 1.402 . . . . 73.55 108.243 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -72.78 144.06 47.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.738 -0.648 . . . . 63.23 110.567 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.0 125.67 24.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.128 1.371 . . . . 75.14 110.659 170.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.15 -39.92 5.12 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.697 1.248 . . . . 70.53 110.748 -171.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -165.27 163.58 20.05 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.921 1.289 . . . . 74.31 109.484 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.86 158.35 34.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.954 1.302 . . . . 75.34 110.489 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -149.84 134.62 17.71 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.628 1.171 . . . . 71.24 109.147 -171.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 60.45 30.99 20.21 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.11 2.164 . . . . 73.35 112.573 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.3 -52.68 64.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.768 1.227 . . . . 74.43 112.421 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.6 -38.97 92.26 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.455 1.097 . . . . 75.45 113.501 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.03 89.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.613 1.165 . . . . 65.25 112.714 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -73.62 -43.78 58.74 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.419 1.087 . . . . 65.33 113.518 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 tpp -67.43 -23.69 65.56 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 73.11 112.354 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -80.39 -41.46 24.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.971 0.908 . . . . 64.44 111.381 168.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.604 1.335 . . . . 42.53 114.604 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 pt -76.83 -19.54 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.316 1.046 . . . . 75.12 113.509 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 23.3 15.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 117.942 -1.477 . . . . 73.53 113.5 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -76.02 144.32 75.51 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 120.069 1.934 . . . . 73.21 109.699 168.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.29 138.41 55.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.856 2.371 . . . . 73.11 112.217 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.0 -20.22 65.74 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.059 1.503 . . . . 74.13 115.059 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.64 -49.81 76.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.644 1.178 . . . . 71.4 112.278 165.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.46 -16.48 62.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.506 1.522 . . . . 73.52 113.404 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -76.98 -50.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.024 0.929 . . . . 71.25 110.64 169.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -63.88 -32.07 73.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.802 1.038 . . . . 73.04 113.802 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -83.29 -41.67 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 75.32 111.894 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.26 -24.81 76.57 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-O 118.662 -1.076 . . . . 74.13 113.44 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -75.15 -29.55 60.51 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.669 1.235 . . . . 75.03 112.117 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.11 -45.68 32.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.953 1.701 . . . . 72.31 111.313 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.53 109.01 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.095 1.358 . . . . 73.13 110.876 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -72.21 102.81 3.16 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.703 1.201 . . . . 74.41 109.776 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.55 179.12 53.31 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.977 1.423 . . . . 72.05 112.284 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.6 t -136.06 144.9 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.504 1.521 . . . . 70.34 109.145 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -115.67 149.48 38.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.374 1.47 . . . . 73.45 108.911 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -136.41 121.0 18.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.776 -1.564 . . . . 74.12 106.776 168.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.6 mt -112.51 147.73 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.778 -1.193 . . . . 75.4 107.778 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.43 141.56 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 107.537 -1.283 . . . . 72.01 107.537 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -123.17 124.27 42.66 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.446 1.099 . . . . 74.4 108.603 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -129.82 59.77 1.61 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.477 1.911 . . . . 74.22 108.356 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.75 -121.11 6.59 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 108.726 -1.75 . . . . 72.11 108.726 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -27.97 61.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.453 1.101 . . . . 73.53 112.76 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -75.16 144.46 42.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.349 0.66 . . . . 74.24 110.854 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.31 159.45 40.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.575 1.95 . . . . 75.23 109.733 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -138.08 138.02 38.33 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.463 1.102 . . . . 74.12 108.081 168.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.0 96.34 4.32 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.384 1.474 . . . . 74.03 109.346 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -88.61 136.8 32.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.331 1.02 . . . . 73.11 109.486 170.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.1 mt -137.21 133.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.258 -1.386 . . . . 71.24 107.258 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.6 m -126.44 124.38 40.01 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.08 1.352 . . . . 74.32 108.909 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.05 137.04 1.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.773 1.229 . . . . 73.21 109.375 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.28 31.94 56.4 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.867 -0.963 . . . . 72.42 112.816 175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.5 m 67.72 22.69 8.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.906 2.082 . . . . 74.02 114.346 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 159.99 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.625 1.57 . . . . 75.24 109.451 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.84 136.72 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 124.643 1.215 . . . . 74.12 109.384 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 146.96 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 126.355 1.862 . . . . 72.44 107.952 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -136.79 127.52 27.19 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.176 0.99 . . . . 73.31 110.41 164.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -122.29 93.02 3.85 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.39 1.476 . . . . 62.32 109.592 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -67.92 136.71 54.42 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 124.152 0.907 . . . . 53.12 109.806 157.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -160.08 155.36 25.09 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.281 1.032 . . . . 73.13 109.492 167.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -121.62 127.1 50.49 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.936 -1.135 . . . . 74.33 107.936 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.67 130.93 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.05 0.844 . . . . 74.41 111.094 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.47 -6.91 82.93 Favored Glycine 0 CA--C 1.542 1.728 0 CA-C-O 118.142 -1.366 . . . . 74.31 112.856 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -119.78 162.95 18.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.375 1.588 . . . . 71.55 110.249 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.77 141.45 32.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.976 0.911 . . . . 71.35 110.43 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.75 155.63 37.56 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.086 1.754 . . . . 73.13 108.716 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -85.65 122.14 29.33 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.684 0.615 . . . . 74.34 111.465 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.52 110.74 22.16 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 124.649 1.218 . . . . 73.21 109.239 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.17 102.93 0.43 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.353 1.861 . . . . 64.43 110.357 164.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 p -73.3 174.4 8.14 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.649 1.179 . . . . 72.12 111.636 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.6 mmt -60.77 -26.48 67.28 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.337 1.606 . . . . 72.21 115.337 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -81.51 -13.44 58.12 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.01 1.324 . . . . 73.51 113.25 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.81 -9.85 62.15 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.414 1.483 . . . . 72.11 111.902 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.28 131.63 46.98 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 118.93 1.365 . . . . 72.14 110.944 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.61 140.72 34.48 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.245 0.965 . . . . 75.33 109.885 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.69 138.07 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.984 0.914 . . . . 75.31 110.689 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -64.3 139.8 58.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.829 1.652 . . . . 72.22 113.036 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -170.08 152.63 4.34 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.763 1.289 . . . . 74.41 110.916 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.71 136.75 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.796 1.238 . . . . 71.31 108.948 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.89 143.76 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.757 1.223 . . . . 75.24 109.174 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 145.36 51.41 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.317 1.047 . . . . 73.22 110.721 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.46 130.26 56.66 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.331 1.453 . . . . 75.55 109.989 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -94.12 160.34 14.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.015 1.326 . . . . 65.14 109.939 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.31 -4.18 42.66 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 124.963 1.268 . . . . 74.23 114.54 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -107.3 37.44 2.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.474 1.91 . . . . 72.42 111.947 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.95 29.23 10.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.942 1.697 . . . . 63.02 113.334 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -127.62 119.44 25.91 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.219 0.608 . . . . 75.42 111.568 -166.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.79 150.03 26.86 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.699 1.25 . . . . 74.45 110.094 166.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.3 t -134.25 126.65 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.02 -1.474 . . . . 72.15 107.02 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.1 t -148.21 153.23 38.48 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.408 1.483 . . . . 75.01 109.867 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.8 m -137.68 131.34 31.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.453 0.701 . . . . 73.45 110.731 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.0 127.79 11.73 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.134 0.974 . . . . 64.14 110.132 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 50.0 45.68 25.05 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.838 1.655 . . . . 73.3 114.594 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 75.39 2.62 3.88 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.147 1.779 . . . . 73.23 113.999 -176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mt -103.53 102.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.994 1.318 . . . . 74.34 108.809 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -83.3 108.58 16.6 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.65 0.78 . . . . 63.13 109.542 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 t -99.36 142.41 30.88 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.503 1.521 . . . . 74.21 110.829 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.56 121.84 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.051 1.34 . . . . 74.23 107.628 174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.1 m -99.52 152.7 19.71 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.502 1.126 . . . . 71.13 109.259 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -138.94 131.09 28.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.829 1.652 . . . . 71.35 107.327 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.62 136.36 35.01 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.52 -1.289 . . . . 64.42 107.52 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.5 72.92 1.33 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.591 -0.892 . . . . 71.43 108.591 -176.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.69 -118.55 6.59 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 108.627 -1.789 . . . . 44.23 108.627 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.92 5.98 37.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.782 1.633 . . . . 73.33 112.83 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.5 mm -112.31 149.29 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.361 1.464 . . . . 74.42 108.727 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.1 mm -126.15 134.23 66.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.502 1.121 . . . . 74.32 108.34 167.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.8 m -111.19 140.63 45.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.645 -0.872 . . . . 74.24 108.645 166.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -133.82 108.4 8.44 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.466 1.507 . . . . 74.51 108.344 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -104.9 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.297 1.439 . . . . 72.14 109.491 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 48.9 mtt -135.87 161.17 36.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.852 1.661 . . . . 64.32 109.63 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 94.3 m -149.16 108.43 3.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.603 0.761 . . . . 73.11 110.367 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -117.3 102.4 9.22 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.096 1.758 . . . . 72.23 109.436 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.47 -111.32 3.6 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.091 -1.603 . . . . 74.52 109.091 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -106.23 3.94 28.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.863 1.665 . . . . 65.24 113.407 168.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.9 mm -93.99 90.72 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 109.158 -0.682 . . . . 74.05 109.158 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -74.73 131.12 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.313 -0.995 . . . . 63.55 108.313 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -118.74 148.9 42.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.372 1.869 . . . . 72.25 108.488 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 tmmt? -148.77 141.22 24.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.765 0.666 . . . . 73.42 109.812 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -138.11 150.16 46.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.322 1.849 . . . . 65.53 108.583 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.37 135.74 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.749 -1.574 . . . . 74.11 106.749 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.2 m -127.14 157.67 39.11 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.967 1.707 . . . . 72.4 109.039 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -144.05 145.34 32.12 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.884 0.874 . . . . 71.15 109.823 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -55.84 139.17 46.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.52 1.928 . . . . 75.35 113.699 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 105.533 -2.025 . . . . 74.32 105.533 177.349 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 N--CA 1.501 2.077 0 N-CA-C 103.266 -2.864 . . . . 73.55 103.266 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -157.75 -43.83 0.06 Allowed 'General case' 0 C--N 1.346 0.423 0 C-N-CA 123.675 0.79 . . . . 73.41 111.551 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 62.96 -169.23 0.19 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.358 1.863 . . . . 75.41 113.194 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -146.49 59.4 1.21 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 64.34 109.165 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.8 p80 53.2 20.58 1.88 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.036 2.535 . . . . 73.11 116.658 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.7 m170 70.87 104.9 0.06 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.138 2.175 . . . . 74.14 109.406 -163.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 17.6 m -87.64 171.09 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.041 0.936 . . . . 53.41 111.304 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -58.66 162.95 3.55 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.471 1.508 . . . . 75.2 113.05 171.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm -70.77 43.58 0.07 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.365 1.866 . . . . 75.43 113.956 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -83.81 144.52 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.615 1.166 . . . . 73.21 110.065 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -63.85 -20.95 66.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.726 1.21 . . . . 74.3 113.662 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.7 p -50.03 110.13 0.36 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.587 2.355 . . . . 73.43 113.925 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.24 170.46 24.85 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.399 -1.08 . . . . 62.3 110.399 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -109.19 141.93 40.73 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.392 1.477 . . . . 72.05 109.414 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -136.29 162.59 32.56 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.939 1.696 . . . . 73.55 109.988 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -137.74 142.93 40.98 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.651 0.78 . . . . 63.23 109.915 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.17 117.99 2.94 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.684 2.794 . . . . 75.14 112.256 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -94.88 -44.08 7.9 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 125.064 1.478 . . . . 70.53 110.517 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -164.57 160.08 19.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.643 1.177 . . . . 74.31 110.704 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.62 147.47 17.17 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.39 1.076 . . . . 75.34 110.947 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.9 140.14 50.14 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.149 1.78 . . . . 71.24 108.384 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 57.78 37.96 27.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.24 1.816 . . . . 73.35 113.03 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.2 -52.52 64.96 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.122 0.969 . . . . 74.43 113.329 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.42 -30.93 71.4 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.682 1.239 . . . . 75.45 113.199 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.83 82.34 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.489 1.116 . . . . 65.25 112.601 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -75.81 -43.46 46.03 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.633 1.173 . . . . 65.33 113.466 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -26.96 66.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.537 1.135 . . . . 73.11 112.661 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -74.77 -43.27 55.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.154 1.381 . . . . 64.44 112.101 168.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.96 79.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 42.53 114.581 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -72.22 -23.48 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-O 118.059 -0.972 . . . . 75.12 113.601 174.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 21.77 15.44 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 118.171 -1.349 . . . . 73.53 112.952 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.22 141.69 86.39 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 119.481 1.64 . . . . 73.21 109.361 167.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -64.6 142.19 76.43 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.269 1.98 . . . . 73.11 111.872 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.14 -24.7 56.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 74.13 114.749 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.46 -48.59 80.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.411 1.484 . . . . 71.4 112.394 170.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.0 -15.57 60.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 73.52 113.684 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.74 -52.75 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.366 0.666 . . . . 71.25 109.748 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -67.42 -27.81 67.37 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.347 1.24 . . . . 73.04 114.347 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -82.02 -47.17 12.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.004 0.922 . . . . 75.32 111.737 172.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.21 -20.42 79.65 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.403 -1.221 . . . . 74.13 114.301 -170.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -65.68 -31.5 72.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.873 1.336 . . . . 75.03 113.593 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -91.03 -19.52 23.1 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.697 1.599 . . . . 72.31 111.871 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.84 142.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.55 1.54 . . . . 73.13 111.994 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -77.62 67.05 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.783 1.633 . . . . 74.41 109.331 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.63 138.86 48.85 Favored Glycine 0 C--N 1.347 1.186 0 C-N-CA 125.806 1.67 . . . . 72.05 111.261 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.54 143.72 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.776 0.83 . . . . 70.34 109.191 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -124.01 154.4 39.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.638 1.175 . . . . 73.45 108.974 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -141.45 141.29 33.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.048 -2.205 . . . . 74.12 105.048 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mt -133.63 139.62 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 107.034 -1.469 . . . . 75.4 107.034 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.32 139.66 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.013 -1.476 . . . . 72.01 107.013 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.02 111.85 17.08 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.808 -1.182 . . . . 74.4 107.808 172.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -119.64 68.55 0.82 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.297 1.839 . . . . 74.22 107.935 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.7 -122.42 8.38 Favored Glycine 0 CA--C 1.533 1.166 0 N-CA-C 109.337 -1.505 . . . . 72.11 109.337 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -71.11 -32.26 68.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 73.53 112.47 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -72.95 140.07 47.18 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.058 0.849 . . . . 74.24 110.61 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -125.73 153.65 43.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.776 1.63 . . . . 75.23 109.05 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -129.43 147.68 51.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.524 1.14 . . . . 74.12 108.062 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -119.24 150.01 40.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 124.771 1.294 . . . . 74.03 108.359 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -129.15 136.04 49.65 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.429 -1.693 . . . . 73.11 106.429 163.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.69 110.52 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.102 -1.444 . . . . 71.24 107.102 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -105.46 137.51 43.16 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.295 1.438 . . . . 74.32 109.946 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.05 -163.65 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.226 1.41 . . . . 73.21 110.18 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.03 -19.71 51.74 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.998 1.761 . . . . 72.42 116.312 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.0 p -163.12 22.7 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.867 1.333 . . . . 74.02 112.711 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 157.61 39.99 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.496 0.718 . . . . 75.24 111.371 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.11 129.69 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 125.18 1.392 . . . . 74.12 108.312 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mt -105.84 146.84 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 126.02 1.728 . . . . 72.44 107.049 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -137.13 141.56 42.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.654 0.782 . . . . 73.31 110.721 165.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -128.5 95.12 4.04 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.886 1.275 . . . . 62.32 108.864 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -73.23 131.92 42.55 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.103 0.877 . . . . 53.12 108.978 160.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.59 165.19 31.16 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.045 0.841 . . . . 73.13 110.839 171.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -129.73 133.0 46.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.467 1.107 . . . . 74.33 108.42 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 135.4 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 123.851 0.72 . . . . 74.41 111.932 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.96 7.45 88.51 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.918 1.247 . . . . 74.31 112.937 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.56 148.65 52.38 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.725 1.61 . . . . 71.55 109.846 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.2 127.3 32.17 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.836 0.71 . . . . 71.35 111.025 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.0 m -143.6 149.2 37.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.522 1.529 . . . . 73.13 109.268 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -80.96 113.63 19.3 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.18 0.592 . . . . 74.34 111.775 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.49 124.05 34.16 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.665 1.228 . . . . 73.21 108.496 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -77.31 129.66 36.15 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.654 1.221 . . . . 64.43 109.806 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 p -92.18 164.51 13.54 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.237 1.015 . . . . 72.12 110.424 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.9 mtt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 115.458 1.651 . . . . 72.21 115.458 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 p -77.53 -8.54 57.97 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.025 1.33 . . . . 73.51 114.229 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.57 15.81 57.8 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-O 118.769 -1.017 . . . . 72.11 112.25 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.59 160.18 26.52 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.609 1.205 . . . . 72.14 110.032 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -132.67 137.5 46.98 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.779 0.832 . . . . 75.33 109.358 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.2 m -145.52 138.27 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 124.288 0.993 . . . . 75.31 111.401 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.24 134.27 44.24 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.216 1.806 . . . . 72.22 111.259 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -165.93 151.6 8.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.094 0.957 . . . . 74.41 111.167 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -98.61 122.2 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.453 1.101 . . . . 71.31 109.33 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.43 146.34 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 124.275 0.985 . . . . 75.24 108.841 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -124.73 155.09 39.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.56 1.144 . . . . 73.22 109.501 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 tt -122.56 125.76 46.36 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.445 1.091 . . . . 75.55 109.339 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -90.1 156.04 18.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.882 1.673 . . . . 65.14 109.041 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.87 3.63 9.27 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.955 1.264 . . . . 74.23 114.823 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -107.73 27.25 9.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.835 2.054 . . . . 72.42 112.344 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.91 27.36 2.14 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.643 1.977 . . . . 63.02 112.779 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -126.2 120.54 30.31 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.429 0.691 . . . . 75.42 112.535 -162.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -90.75 141.28 28.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.216 1.406 . . . . 74.45 109.509 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.49 135.43 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.933 1.293 . . . . 72.15 109.347 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -160.69 171.99 17.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.921 1.288 . . . . 75.01 111.299 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.3 p -139.43 143.57 37.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.315 1.846 . . . . 73.45 108.58 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -155.01 116.31 4.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.133 0.973 . . . . 64.14 109.611 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 56.74 38.46 29.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.591 1.556 . . . . 73.3 113.53 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.72 1.58 3.46 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.528 1.931 . . . . 73.23 114.237 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.16 89.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 107.461 -1.311 . . . . 74.34 107.461 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.63 136.51 56.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.115 1.766 . . . . 63.13 108.857 165.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -140.32 129.65 23.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.082 0.953 . . . . 74.21 108.57 -173.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.17 128.05 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.356 -1.72 . . . . 74.23 106.356 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 m -120.47 125.73 48.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.901 -1.148 . . . . 71.13 107.901 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -121.74 121.19 36.72 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.446 1.091 . . . . 71.35 109.952 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 tp -83.25 127.49 33.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.824 1.25 . . . . 64.42 109.173 168.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -127.92 80.66 1.97 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.064 -1.458 . . . . 71.43 107.064 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.97 -100.71 0.72 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.496 1.046 . . . . 44.23 110.564 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.69 -4.7 40.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.909 1.684 . . . . 73.33 112.407 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.83 143.84 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.814 1.246 . . . . 74.42 109.022 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -120.25 109.12 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.668 1.187 . . . . 74.32 108.015 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -90.1 137.21 32.53 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.291 0.994 . . . . 74.24 108.433 168.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.85 137.36 53.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.43 1.492 . . . . 74.51 107.549 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.3 m -130.43 117.41 19.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.597 -1.631 . . . . 72.14 106.597 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.2 mmm -114.44 136.96 52.43 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.588 -1.264 . . . . 64.32 107.588 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.3 m -134.33 118.89 18.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.23 0.612 . . . . 73.11 109.639 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -120.5 99.35 6.5 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.171 -1.788 . . . . 72.23 106.171 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.61 -123.67 22.91 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 109.386 -1.486 . . . . 74.52 109.386 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.88 -19.45 40.88 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.674 1.19 . . . . 65.24 112.436 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.17 98.92 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.556 0.743 . . . . 74.05 110.305 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.17 107.3 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 124.541 1.15 . . . . 63.55 108.239 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -91.43 134.03 34.97 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 72.25 108.767 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -121.18 143.16 49.27 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.292 -1.373 . . . . 73.42 107.292 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.37 136.62 28.04 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.417 1.887 . . . . 65.53 107.65 -173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.66 130.0 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.034 -1.469 . . . . 74.11 107.034 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.1 m -133.12 154.85 50.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.606 1.562 . . . . 72.4 108.879 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -141.94 147.19 36.62 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.082 0.953 . . . . 71.15 109.744 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -56.54 134.34 54.14 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.655 1.982 . . . . 75.35 114.218 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 104.157 -2.534 . . . . 74.32 104.157 174.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 N--CA 1.502 2.143 0 N-CA-C 104.342 -2.466 . . . . 73.55 104.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 50.17 24.05 1.34 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 130.013 3.325 . . . . 73.41 117.835 164.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -153.35 -74.1 0.13 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.337 -0.84 . . . . 75.41 110.274 -169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 64.77 70.21 0.48 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.341 1.856 . . . . 64.34 111.469 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -134.95 -73.53 0.47 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.906 1.283 . . . . 73.11 110.038 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.99 143.42 57.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.386 1.074 . . . . 74.14 112.758 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.91 146.66 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 125.462 1.505 . . . . 53.41 109.374 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -137.18 -175.11 3.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.961 1.305 . . . . 75.2 111.055 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptm -72.88 30.82 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.857 2.063 . . . . 75.43 114.623 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -75.78 132.21 40.29 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.743 -0.836 . . . . 73.21 108.743 167.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.21 -17.91 59.6 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.272 1.212 . . . . 74.3 114.272 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -56.78 141.85 42.85 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.947 1.699 . . . . 73.43 114.775 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.61 171.76 12.98 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.109 1.338 . . . . 62.3 110.889 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -81.48 141.92 33.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.467 1.507 . . . . 72.05 110.637 171.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -141.15 112.57 7.47 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.021 1.328 . . . . 73.55 107.849 173.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -63.19 143.63 57.62 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 118.729 -0.653 . . . . 63.23 109.812 171.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tt -72.28 129.71 39.06 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.036 0.835 . . . . 75.14 109.621 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.27 -55.24 3.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 124.166 0.916 . . . . 70.53 110.606 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -161.04 162.33 31.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.683 1.193 . . . . 74.31 110.716 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -155.8 139.65 16.22 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 124.349 1.031 . . . . 75.34 111.633 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.7 143.82 45.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.466 1.906 . . . . 71.24 109.78 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.28 33.55 22.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.217 2.207 . . . . 73.35 112.28 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.36 -48.42 75.6 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.564 1.146 . . . . 74.43 112.756 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -62.29 -41.3 98.37 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.366 1.467 . . . . 75.45 111.742 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.53 84.24 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.555 1.542 . . . . 65.25 113.155 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.56 -42.05 53.22 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.759 1.224 . . . . 65.33 113.594 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.7 64.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.295 1.038 . . . . 73.11 112.214 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -75.84 -38.98 57.49 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.995 1.318 . . . . 64.44 112.094 169.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.89 71.97 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.415 1.265 . . . . 42.53 114.415 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 pt -76.02 -22.21 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 113.363 0.875 . . . . 75.12 113.363 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 23.98 13.49 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.185 -1.342 . . . . 73.53 113.141 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.95 143.88 92.36 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.633 1.716 . . . . 73.21 109.386 166.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -64.78 137.98 56.21 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.423 2.082 . . . . 73.11 111.89 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -51.28 -31.73 22.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.59 1.556 . . . . 74.13 114.479 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.61 -49.63 75.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.037 1.335 . . . . 71.4 112.08 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.38 -17.17 60.85 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.801 1.241 . . . . 73.52 114.182 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.6 mt -72.89 -54.96 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.831 0.741 . . . . 71.25 109.886 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -69.7 -25.21 63.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.008 1.114 . . . . 73.04 114.008 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -83.56 -38.14 22.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.386 1.074 . . . . 75.32 111.98 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.32 -22.91 61.82 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 118.342 -1.254 . . . . 74.13 113.749 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -62.56 -34.35 76.77 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.915 1.358 . . . . 75.03 113.633 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.04 -20.7 37.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.968 1.707 . . . . 72.31 112.98 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -90.97 98.4 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.208 1.003 . . . . 73.13 108.947 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -77.88 105.36 9.02 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.605 -0.887 . . . . 74.41 108.605 169.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.36 -152.54 20.94 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.517 1.136 . . . . 72.05 111.221 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.9 t -137.56 144.71 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.608 . . . . 70.34 108.978 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -112.04 150.25 30.91 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.394 1.478 . . . . 73.45 108.435 167.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -145.98 121.11 10.12 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.417 -0.957 . . . . 74.12 108.417 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mt -117.51 150.14 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 124.52 1.138 . . . . 75.4 108.319 -168.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.14 95.82 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 108.962 -0.755 . . . . 72.01 108.962 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -75.23 132.1 40.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.256 0.622 . . . . 74.4 110.116 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -132.99 66.13 1.57 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.283 2.233 . . . . 74.22 107.234 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.37 -105.2 1.37 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.259 -1.536 . . . . 72.11 109.259 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -31.69 54.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.641 1.176 . . . . 73.53 112.944 175.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -78.83 152.08 31.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.681 0.673 . . . . 74.24 111.814 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -144.77 124.36 13.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.973 2.109 . . . . 75.23 108.6 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -100.4 143.93 30.0 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.12 108.089 165.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -136.26 108.38 7.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.488 1.515 . . . . 74.03 109.339 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -101.81 139.92 36.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.491 1.116 . . . . 73.11 108.696 169.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.33 119.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.123 -1.436 . . . . 71.24 107.123 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -124.24 109.18 13.08 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.392 1.077 . . . . 74.32 108.972 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.41 134.75 9.36 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.902 0.881 . . . . 73.21 110.233 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 20.98 58.78 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 118.56 -1.133 . . . . 72.42 112.86 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t 69.73 39.67 1.46 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.912 2.085 . . . . 74.02 112.648 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 153.8 39.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.771 1.628 . . . . 75.24 108.491 172.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.33 137.12 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 124.677 1.235 . . . . 74.12 109.008 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.94 141.82 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 127.09 2.156 . . . . 72.44 106.747 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -139.41 137.7 35.88 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.854 0.861 . . . . 73.31 111.121 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -136.32 141.79 43.82 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.627 1.971 . . . . 62.32 108.78 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -131.84 138.87 48.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.623 1.569 . . . . 53.12 107.838 169.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -160.34 153.35 21.56 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.267 1.027 . . . . 73.13 111.305 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -112.24 122.69 48.44 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.903 -1.147 . . . . 74.33 107.903 172.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.94 131.74 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 123.898 0.749 . . . . 74.41 111.962 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -14.91 64.42 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.357 1.456 . . . . 74.31 112.41 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -118.43 160.37 21.83 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.073 1.436 . . . . 71.55 110.618 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.34 137.9 46.94 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.885 0.741 . . . . 71.35 110.628 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.05 -176.79 5.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 73.13 107.899 167.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -125.57 112.21 15.93 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.357 -0.979 . . . . 74.34 108.357 -170.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.29 128.46 35.48 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 124.547 1.155 . . . . 73.21 110.412 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.7 148.41 40.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.625 1.97 . . . . 64.43 110.021 164.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.1 p -117.89 175.24 5.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.469 1.108 . . . . 72.12 110.655 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.0 mmt -61.55 -31.98 72.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.161 1.784 . . . . 72.21 113.737 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.7 p -83.53 -7.0 59.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.487 1.515 . . . . 73.51 112.835 171.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.68 65.06 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.443 1.497 . . . . 72.11 112.757 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.21 126.21 26.57 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.104 1.452 . . . . 72.14 111.397 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -96.3 142.76 28.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.413 1.071 . . . . 75.33 110.721 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.05 139.65 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.74 1.216 . . . . 75.31 110.552 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.4 141.78 45.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.866 1.267 . . . . 72.22 112.259 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -173.62 164.38 4.44 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.291 1.436 . . . . 74.41 110.701 -173.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.01 143.31 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.129 1.372 . . . . 71.31 108.788 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.88 146.41 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.476 -0.935 . . . . 75.24 108.476 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -129.01 142.46 50.91 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.587 1.155 . . . . 73.22 109.742 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.4 tp -111.76 130.25 55.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.88 1.272 . . . . 75.55 109.549 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.4 168.17 11.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.167 1.787 . . . . 65.14 110.737 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.9 15.71 19.46 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.992 1.282 . . . . 74.23 113.96 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -135.75 39.71 2.79 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.033 1.416 . . . . 72.42 109.496 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.54 21.27 11.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.07 1.748 . . . . 63.02 113.788 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -115.45 129.82 56.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.227 1.011 . . . . 75.42 111.13 -168.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.4 mt -98.58 152.49 19.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.36 1.064 . . . . 74.45 109.567 167.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.55 139.45 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.848 1.259 . . . . 72.15 109.083 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -157.22 -173.2 4.32 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.784 1.634 . . . . 75.01 110.349 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 p -150.63 143.25 24.48 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.687 1.995 . . . . 73.45 108.406 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -160.03 124.82 3.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.994 0.918 . . . . 64.14 109.832 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? 54.76 40.3 31.85 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.994 1.717 . . . . 73.3 113.646 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t30 72.99 -2.41 2.73 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.202 2.201 . . . . 73.23 114.169 -173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.7 mt -83.37 97.41 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.399 1.079 . . . . 74.34 108.488 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -65.28 112.6 3.54 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.702 1.601 . . . . 63.13 108.976 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 p -120.58 125.72 48.5 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 124.342 1.026 . . . . 74.21 110.123 -166.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -133.78 133.9 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.75 1.62 . . . . 74.23 107.888 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 m -128.23 154.73 45.53 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.857 1.263 . . . . 71.13 109.322 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -146.61 123.64 11.41 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.062 0.945 . . . . 71.35 110.08 174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.0 tp -80.74 140.84 35.33 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.375 1.047 . . . . 64.42 109.176 161.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.19 76.99 1.47 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.269 -1.011 . . . . 71.43 108.269 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.44 -94.22 1.04 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.141 -1.583 . . . . 44.23 109.141 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -116.12 1.63 13.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.845 2.058 . . . . 73.33 112.839 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -102.17 144.99 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.216 1.006 . . . . 74.42 108.299 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.3 mm -121.19 115.87 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 107.924 -1.139 . . . . 74.32 107.924 169.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -93.02 144.49 25.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.962 0.905 . . . . 74.24 108.713 168.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 148.97 52.71 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.962 1.305 . . . . 74.51 108.303 165.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.2 m -141.55 125.38 17.03 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.213 1.405 . . . . 72.14 107.875 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.5 mmt -120.95 113.46 20.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.042 1.337 . . . . 64.32 108.165 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.2 m -110.7 106.29 15.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.29 1.036 . . . . 73.11 109.461 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -110.63 88.88 2.88 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.452 1.501 . . . . 72.23 108.266 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.8 -113.6 5.75 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 124.535 1.147 . . . . 74.52 110.771 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.46 0.78 28.06 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.365 2.266 . . . . 65.24 114.595 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 27.6 mm -109.76 141.51 24.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.593 1.157 . . . . 74.05 109.336 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.66 83.91 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.399 1.08 . . . . 63.55 108.701 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -72.86 142.65 47.96 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.816 1.246 . . . . 72.25 110.293 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -147.0 137.16 23.41 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.047 0.842 . . . . 73.42 108.84 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -129.84 153.93 47.77 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.306 1.442 . . . . 65.53 111.543 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.95 137.26 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.717 1.607 . . . . 74.11 107.327 170.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 m -136.65 154.35 50.66 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.384 1.874 . . . . 72.4 108.824 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -143.64 135.66 26.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.998 0.919 . . . . 71.15 109.312 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.62 131.09 47.86 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.448 1.499 . . . . 75.35 113.542 -173.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.8 pt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 124.97 2.319 . . . . 74.32 107.066 -176.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 . . . . . 0 N--CA 1.501 2.099 0 CA-C-O 118.021 -0.99 . . . . 73.55 109.089 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.35 -34.3 28.53 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 113.277 0.843 . . . . 73.41 113.277 -167.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -70.87 -14.79 62.52 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.15 1.167 . . . . 75.41 114.15 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -73.34 -28.38 62.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.804 1.242 . . . . 64.34 112.211 170.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -78.72 81.75 5.0 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.236 1.414 . . . . 73.11 110.404 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -91.42 17.39 8.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.073 1.349 . . . . 74.14 111.079 163.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 22.8 m -64.17 102.68 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 126.777 2.031 . . . . 53.41 111.142 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -113.83 31.47 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.411 1.484 . . . . 75.2 111.701 -172.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm -120.34 47.59 1.74 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.518 1.527 . . . . 75.43 109.791 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -90.49 133.65 34.9 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.259 1.424 . . . . 73.21 109.643 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -63.71 -21.04 66.19 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.272 1.582 . . . . 74.3 115.272 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.5 p -59.85 133.3 55.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.595 1.558 . . . . 73.43 114.004 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.24 -175.15 31.8 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 109.841 -1.304 . . . . 62.3 109.841 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.6 139.34 53.96 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.452 1.501 . . . . 72.05 109.057 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -143.88 123.64 13.4 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.264 1.426 . . . . 73.55 110.054 -167.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.45 139.97 34.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.7 0.682 . . . . 63.23 109.347 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.11 124.83 21.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.346 1.858 . . . . 75.14 110.81 168.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -95.7 -44.58 7.39 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.289 1.436 . . . . 70.53 111.047 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -160.87 162.84 32.28 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.853 1.261 . . . . 74.31 110.952 -171.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -154.17 152.75 30.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.748 1.219 . . . . 75.34 110.567 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -136.28 143.39 44.19 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.349 1.46 . . . . 71.24 110.537 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 58.64 31.33 20.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.456 2.303 . . . . 73.35 112.46 -173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.67 -48.68 80.7 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.948 1.699 . . . . 74.43 112.911 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.83 -32.8 69.96 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 124.462 1.101 . . . . 75.45 113.439 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.72 79.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.032 0.933 . . . . 65.25 112.838 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -78.26 -44.33 25.79 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.531 1.532 . . . . 65.33 113.351 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -25.6 62.34 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.38 1.05 . . . . 73.11 112.344 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -74.25 -39.34 63.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.479 1.112 . . . . 64.44 111.829 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.01 73.36 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.458 1.281 . . . . 42.53 114.458 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.8 pt -79.58 -12.66 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 N-CA-C 113.81 1.041 . . . . 75.12 113.81 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.17 22.75 36.96 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.295 -1.281 . . . . 73.53 113.072 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.64 138.97 85.98 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.343 1.572 . . . . 73.21 108.527 164.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -65.03 145.47 85.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.026 1.817 . . . . 73.11 111.977 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -50.85 -30.01 13.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.417 1.887 . . . . 74.13 114.55 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.8 -50.44 73.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.365 1.866 . . . . 71.4 112.888 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.0 -23.76 63.19 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.647 1.579 . . . . 73.52 112.947 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.9 mt -73.3 -51.41 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 123.925 0.89 . . . . 71.25 110.758 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -66.45 -24.81 66.49 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.318 1.229 . . . . 73.04 114.318 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -79.42 -50.46 10.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 75.32 111.823 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.38 -19.17 75.86 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.264 1.412 . . . . 74.13 114.381 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.79 -33.94 75.81 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.882 1.341 . . . . 75.03 112.982 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -85.8 -39.29 17.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.463 1.505 . . . . 72.31 110.395 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.15 105.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.508 1.123 . . . . 73.13 110.149 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 113.0 5.89 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.355 1.034 . . . . 74.41 109.136 168.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.03 171.44 48.27 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 124.169 0.918 . . . . 72.05 111.442 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.78 124.82 54.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.164 -1.421 . . . . 70.34 107.164 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -105.3 143.91 32.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.67 1.588 . . . . 73.45 108.614 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.28 133.34 31.11 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.682 -1.229 . . . . 74.12 107.682 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.08 147.76 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.605 1.191 . . . . 75.4 108.234 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.44 149.62 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.358 1.463 . . . . 72.01 107.502 173.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -135.53 98.35 3.92 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.404 1.082 . . . . 74.4 108.613 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -103.39 73.81 1.23 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.271 1.828 . . . . 74.22 108.232 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 -119.35 7.31 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 108.813 -1.715 . . . . 72.11 108.813 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.26 -25.04 46.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.225 1.01 . . . . 73.53 112.606 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.1 140.33 47.08 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.159 0.584 . . . . 74.24 111.267 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.56 141.57 51.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.209 1.804 . . . . 75.23 109.481 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -112.16 144.82 40.91 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.354 -1.35 . . . . 74.12 107.354 164.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -138.9 89.64 2.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.737 1.615 . . . . 74.03 107.614 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 79.1 m -85.27 128.66 34.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.946 0.898 . . . . 73.11 108.726 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.28 115.19 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.152 -1.055 . . . . 71.24 108.152 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -101.04 131.85 46.73 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.22 1.008 . . . . 74.32 108.952 171.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.53 137.88 0.66 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.468 1.507 . . . . 73.21 108.563 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.41 92.17 Favored Glycine 0 CA--C 1.539 1.579 0 O-C-N 124.115 0.885 . . . . 72.42 111.752 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m 75.67 -34.91 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.208 3.003 . . . . 74.02 114.981 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 162.2 24.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.869 1.268 . . . . 75.24 112.608 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -124.7 125.02 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 124.74 1.275 . . . . 74.12 109.385 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 mt -93.39 143.26 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.404 1.882 . . . . 72.44 107.344 168.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -135.4 93.08 2.92 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.801 0.84 . . . . 73.31 109.623 171.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -74.31 137.23 42.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.442 1.097 . . . . 62.32 109.923 168.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.42 126.53 29.73 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.794 1.638 . . . . 53.12 107.23 174.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -159.23 159.08 33.76 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 124.315 1.01 . . . . 73.13 112.017 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 m -120.72 124.3 44.81 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.697 1.199 . . . . 74.33 108.333 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.5 134.46 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 124.119 0.887 . . . . 74.41 111.738 -176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.33 -12.76 61.8 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.182 1.373 . . . . 74.31 112.497 -173.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -111.48 160.14 17.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.566 1.546 . . . . 71.55 109.938 173.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.2 131.69 36.28 Favored 'General case' 0 C--N 1.345 0.388 0 O-C-N 123.867 0.73 . . . . 71.35 109.703 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 m -143.21 175.28 10.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.14 1.776 . . . . 73.13 108.137 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -115.86 109.34 17.49 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.871 0.468 . . . . 74.34 110.363 -169.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.28 129.52 35.01 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.063 1.345 . . . . 73.21 110.744 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -70.99 153.36 42.7 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.089 1.493 . . . . 64.43 110.764 161.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -116.44 173.55 6.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.647 1.179 . . . . 72.12 111.002 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.5 mmm -58.97 -28.94 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.467 1.507 . . . . 72.21 114.075 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -90.31 -2.33 57.99 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.381 1.472 . . . . 73.51 113.433 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.04 19.74 66.61 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 119.163 -0.799 . . . . 72.11 112.469 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.25 164.64 15.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.654 1.581 . . . . 72.14 109.198 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -133.62 138.58 46.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.072 0.949 . . . . 75.33 110.722 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 143.55 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 75.31 110.964 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -79.73 140.29 37.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.979 1.312 . . . . 72.22 112.411 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.7 t -167.27 150.34 6.29 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.112 1.365 . . . . 74.41 111.288 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.16 109.81 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.303 1.041 . . . . 71.31 108.661 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -81.92 146.5 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 123.855 0.722 . . . . 75.24 109.662 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -120.31 159.61 24.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.404 1.482 . . . . 73.22 110.541 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tt -136.53 129.21 30.59 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.119 1.368 . . . . 75.55 108.835 175.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.81 171.52 9.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.042 1.337 . . . . 65.14 111.377 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.24 0.4 87.66 Favored Glycine 0 CA--C 1.543 1.811 0 CA-C-O 118.526 -1.152 . . . . 74.23 113.038 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -114.1 40.0 2.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.096 1.759 . . . . 72.42 111.678 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.324 0.3 OUTLIER 50.62 44.0 27.52 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.112 2.165 . . . . 63.02 114.142 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -132.41 146.12 51.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.679 1.592 . . . . 75.42 110.761 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.1 mt -113.96 152.89 30.21 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.016 1.727 . . . . 74.45 108.639 169.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.87 139.25 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 124.312 1.045 . . . . 72.15 109.623 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 t -163.84 171.38 15.53 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.972 1.309 . . . . 75.01 110.932 175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.1 m -141.64 140.03 33.17 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.146 1.378 . . . . 73.45 109.948 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.43 125.25 6.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.113 1.365 . . . . 64.14 109.723 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt 56.36 35.78 26.43 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.547 1.539 . . . . 73.3 114.01 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.5 t30 70.53 0.26 3.18 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.962 2.105 . . . . 73.23 114.195 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.79 101.32 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 107.374 -1.343 . . . . 74.34 107.374 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 146.63 54.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.708 1.203 . . . . 63.13 108.707 164.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -137.79 140.97 40.86 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.156 0.982 . . . . 74.21 109.255 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -138.21 118.88 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 125.025 1.453 . . . . 74.23 107.414 171.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.5 m -99.76 147.8 25.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.253 0.971 . . . . 71.13 108.629 168.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -143.71 117.95 9.58 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.537 0.735 . . . . 71.35 110.184 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 tp -81.65 129.08 34.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.752 1.621 . . . . 64.42 109.565 170.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -132.08 73.25 1.52 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.355 1.862 . . . . 71.43 106.931 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.62 -112.15 4.67 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.051 -1.219 . . . . 44.23 110.051 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.1 -2.29 43.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.456 1.502 . . . . 73.33 114.191 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.79 144.98 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 125.062 1.345 . . . . 74.42 109.522 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.07 118.09 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.019 1.327 . . . . 74.32 107.601 167.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -93.83 141.83 28.06 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.801 -0.814 . . . . 74.24 108.801 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -131.93 101.73 5.55 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.888 1.675 . . . . 74.51 107.814 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.8 m -100.64 142.44 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.865 1.266 . . . . 72.14 109.735 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.8 mmt -127.67 154.22 45.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.919 1.287 . . . . 64.32 109.784 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.0 m -137.6 121.63 17.83 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.365 0.666 . . . . 73.11 109.855 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 tt -127.64 102.29 6.77 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 106.781 -1.562 . . . . 72.23 106.781 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.71 13.24 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.403 -1.479 . . . . 74.52 109.403 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -84.42 -19.26 33.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.989 1.316 . . . . 65.24 112.432 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 mm -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 123.838 0.855 . . . . 74.05 110.026 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.5 t -123.03 94.33 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.69 -1.226 . . . . 63.55 107.69 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -83.19 150.35 26.27 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.201 1.4 . . . . 72.25 111.745 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -141.29 149.86 41.8 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 124.059 0.849 . . . . 73.42 109.387 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 -135.4 148.34 49.32 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.464 1.905 . . . . 65.53 108.337 164.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -124.06 135.5 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 106.368 -1.715 . . . . 74.11 106.368 168.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.3 m -128.87 156.04 44.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.952 1.701 . . . . 72.4 108.27 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -143.49 146.73 33.63 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.758 0.823 . . . . 71.15 109.836 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -56.78 138.07 53.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.233 2.213 . . . . 75.35 114.452 -168.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 43.6 pt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 125.463 2.554 . . . . 74.32 107.073 176.377 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 . . . . . 0 N--CA 1.5 2.053 0 N-CA-C 103.824 -2.658 . . . . 73.55 103.824 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.42 144.05 49.27 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.589 1.955 . . . . 73.41 108.408 175.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -122.34 139.56 53.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.27 1.428 . . . . 75.41 108.64 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -143.28 -32.56 0.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.327 1.017 . . . . 64.34 112.674 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -74.37 166.24 23.83 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.685 0.994 . . . . 73.11 113.685 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -130.83 14.84 5.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.812 1.645 . . . . 74.14 112.013 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 28.6 m -86.14 156.59 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.143 1.377 . . . . 53.41 111.219 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -136.35 46.57 2.26 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.511 1.125 . . . . 75.2 112.131 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm -132.06 38.07 3.54 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.709 1.204 . . . . 75.43 111.088 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -93.99 138.0 32.58 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.022 0.929 . . . . 73.21 109.52 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.55 -17.88 64.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.599 1.56 . . . . 74.3 114.312 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.7 p -59.17 131.11 50.05 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.005 1.322 . . . . 73.43 113.087 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.86 -176.03 31.16 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.265 -1.134 . . . . 62.3 110.265 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -132.04 133.9 44.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.345 1.458 . . . . 72.05 108.61 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -137.8 118.63 14.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.541 1.136 . . . . 73.55 110.654 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -76.91 141.3 40.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.363 0.665 . . . . 63.23 110.42 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.76 128.25 36.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.941 1.696 . . . . 75.14 111.772 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -107.33 -48.7 3.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.804 1.242 . . . . 70.53 110.498 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -159.22 164.45 35.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.35 1.06 . . . . 74.31 110.199 -174.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -162.8 140.16 7.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.483 1.513 . . . . 75.34 109.331 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.1 137.78 45.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.901 1.28 . . . . 71.24 108.044 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.11 37.66 28.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.722 2.009 . . . . 73.35 113.759 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.71 -53.42 58.17 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.124 0.97 . . . . 74.43 113.555 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.75 -30.64 71.33 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.526 1.141 . . . . 75.45 113.493 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.11 61.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.783 1.233 . . . . 65.25 112.988 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -74.96 -40.33 60.81 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.929 1.292 . . . . 65.33 113.339 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.2 tpp -71.3 -27.14 63.2 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.739 1.216 . . . . 73.11 112.213 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -71.7 -43.41 65.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.015 1.326 . . . . 64.44 111.679 167.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.31 78.04 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.569 1.322 . . . . 42.53 114.569 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.0 pt -79.53 -14.02 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 113.239 0.829 . . . . 75.12 113.239 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.49 17.8 30.13 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-O 117.759 -1.578 . . . . 73.53 113.747 169.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.37 140.77 95.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 120.098 1.949 . . . . 73.21 110.153 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -64.17 142.12 78.89 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.47 2.113 . . . . 73.11 111.602 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.51 -23.86 64.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.188 1.181 . . . . 74.13 114.188 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.84 -38.1 86.93 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.347 0.869 . . . . 71.4 113.347 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.63 -23.72 58.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.726 1.21 . . . . 73.52 112.761 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.74 -49.7 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.039 0.936 . . . . 71.25 111.06 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -69.17 -23.44 63.94 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.659 1.184 . . . . 73.04 114.109 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -91.38 -31.34 16.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.261 1.024 . . . . 75.32 111.81 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.2 -23.77 62.68 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.681 -1.066 . . . . 74.13 112.875 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -72.1 -32.4 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.707 1.253 . . . . 75.03 112.374 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.57 -48.24 17.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.665 1.586 . . . . 72.31 110.956 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.5 mm -65.03 118.58 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.845 1.258 . . . . 73.13 110.967 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -66.13 104.94 1.25 Allowed 'General case' 0 C--N 1.344 0.369 0 O-C-N 124.817 1.323 . . . . 74.41 110.041 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.43 160.6 54.09 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 124.717 1.261 . . . . 72.05 111.005 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.23 126.89 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 107.656 -1.239 . . . . 70.34 107.656 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m -101.4 158.75 15.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.453 1.501 . . . . 73.45 109.278 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.59 136.89 18.66 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.405 1.482 . . . . 74.12 107.178 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -129.25 143.75 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.855 -1.535 . . . . 75.4 106.855 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -128.43 135.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 106.53 -1.655 . . . . 72.01 106.53 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -122.72 122.2 38.18 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.157 -1.053 . . . . 74.4 108.157 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -127.16 73.5 1.43 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.159 1.783 . . . . 74.22 107.368 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 -119.41 7.93 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.416 -1.473 . . . . 72.11 109.416 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -72.42 -30.34 64.54 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.505 1.122 . . . . 73.53 112.63 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -75.59 144.0 42.04 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.968 0.792 . . . . 74.24 111.773 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -132.12 148.75 52.5 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 126.739 2.016 . . . . 75.23 109.676 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -126.51 140.73 52.23 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.097 -1.446 . . . . 74.12 107.097 164.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.01 121.61 32.14 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.278 1.431 . . . . 74.03 108.17 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.2 m -124.8 127.76 47.68 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.192 1.397 . . . . 73.11 107.982 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.15 125.65 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.245 -1.021 . . . . 71.24 108.245 -174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -120.95 127.0 51.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.753 1.221 . . . . 74.32 108.688 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.35 1.66 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.443 1.097 . . . . 73.21 108.511 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 22.92 67.92 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 118.788 -1.007 . . . . 72.42 112.078 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t 77.01 -26.77 0.18 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.726 2.81 . . . . 74.02 114.531 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.78 143.09 51.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.372 1.069 . . . . 75.24 110.732 170.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.5 t -121.92 134.72 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 124.776 1.298 . . . . 74.12 108.981 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.06 134.3 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 106.612 -1.625 . . . . 72.44 106.612 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.58 136.76 50.19 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 124.172 0.92 . . . . 73.31 110.554 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -128.37 149.61 50.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.77 2.028 . . . . 62.32 108.659 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -134.41 143.27 47.49 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.752 1.221 . . . . 53.12 109.113 167.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -158.04 161.54 38.06 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 124.567 1.167 . . . . 73.13 111.407 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -123.66 127.14 47.79 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.125 -1.435 . . . . 74.33 107.125 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.69 139.53 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 123.974 0.796 . . . . 74.41 112.377 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.3 -2.07 87.68 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.637 1.589 . . . . 74.31 112.381 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -131.8 156.72 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.576 1.55 . . . . 71.55 110.527 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.97 128.48 35.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.551 1.14 . . . . 71.35 110.697 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.6 m -142.76 159.89 41.38 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.495 1.518 . . . . 73.13 109.602 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.18 114.74 27.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.479 0.711 . . . . 74.34 110.8 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.51 134.76 44.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.491 1.516 . . . . 73.21 109.648 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.66 169.69 15.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.427 . . . . 64.43 110.934 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -133.74 172.7 12.41 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.026 1.33 . . . . 72.12 110.971 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 66.2 mmm -63.22 -28.41 70.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.39 1.476 . . . . 72.21 113.636 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -82.66 -24.52 33.7 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.393 1.477 . . . . 73.51 112.815 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.15 1.64 41.61 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-O 117.934 -1.481 . . . . 72.11 112.88 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.2 152.38 45.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.786 1.793 . . . . 72.14 110.966 167.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -122.74 138.71 54.54 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.736 1.272 . . . . 75.33 109.092 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.21 143.41 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.48 1.112 . . . . 75.31 110.457 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -73.45 136.13 44.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.616 1.166 . . . . 72.22 111.071 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -163.5 141.63 7.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 124.453 1.096 . . . . 74.41 110.743 -174.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -87.38 140.98 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.307 1.043 . . . . 71.31 109.655 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 t -117.45 141.49 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 124.448 1.093 . . . . 75.24 108.737 172.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -114.77 165.25 13.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.987 1.715 . . . . 73.22 109.409 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -136.79 115.2 11.82 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.95 145.54 32.56 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.683 1.239 . . . . 65.14 109.461 168.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.32 -13.12 48.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.509 1.528 . . . . 74.23 114.106 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.47 24.56 0.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.1 2.16 . . . . 72.42 113.019 171.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.283 0.6 OUTLIER 52.87 43.63 31.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 129.503 3.121 . . . . 63.02 113.882 -175.751 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -124.84 107.5 10.97 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.755 1.222 . . . . 75.42 109.642 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.32 140.66 55.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.075 0.95 . . . . 74.45 109.312 161.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -141.1 131.25 26.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 124.175 0.922 . . . . 72.15 109.357 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -157.2 169.42 24.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.968 1.307 . . . . 75.01 111.013 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.6 p -146.6 119.59 8.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.087 1.355 . . . . 73.45 109.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -134.41 124.99 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.699 1.2 . . . . 64.14 108.754 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt 55.44 38.06 29.75 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.221 1.809 . . . . 73.3 114.23 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 t30 71.8 -7.16 1.3 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.54 1.936 . . . . 73.23 114.027 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.3 mt -77.75 109.15 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.713 -1.217 . . . . 74.34 107.713 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.41 34.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.71 1.604 . . . . 63.13 109.316 168.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -144.11 128.93 18.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.57 -0.9 . . . . 74.21 108.57 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.84 135.3 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.573 -1.64 . . . . 74.23 106.573 168.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 m -125.56 131.85 52.67 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 124.386 1.054 . . . . 71.13 108.596 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.8 129.2 34.18 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 124.198 0.936 . . . . 71.35 111.458 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.33 94.08 6.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.495 1.918 . . . . 64.42 110.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.77 74.33 7.48 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.238 1.015 . . . . 71.43 109.056 172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.1 -92.25 0.74 Allowed Glycine 0 C--N 1.346 1.12 0 N-CA-C 109.7 -1.36 . . . . 44.23 109.7 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.08 -1.44 13.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.64 1.976 . . . . 73.33 112.49 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.7 mm -109.17 128.88 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 124.302 1.041 . . . . 74.42 108.403 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.4 mm -103.96 116.63 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.467 1.107 . . . . 74.32 109.168 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.4 m -94.51 134.25 37.24 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 124.503 1.127 . . . . 74.24 107.966 164.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -114.78 137.52 51.84 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.507 -1.664 . . . . 74.51 106.507 161.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.8 m -133.46 114.97 14.22 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.003 -1.48 . . . . 72.14 107.003 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.6 mmm -125.04 125.03 43.2 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.804 1.315 . . . . 64.32 108.859 -172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.8 m -126.55 118.58 25.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.297 0.499 . . . . 73.11 110.73 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.7 tp -120.15 94.7 4.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.35 1.46 . . . . 72.23 107.774 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.95 -126.29 28.9 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 110.057 -1.217 . . . . 74.52 110.057 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.04 -19.3 61.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.474 1.51 . . . . 65.24 113.037 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.2 mm -83.77 123.33 38.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.633 0.773 . . . . 74.05 109.847 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.23 94.76 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.617 -1.253 . . . . 63.55 107.617 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -80.83 145.91 31.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.697 1.199 . . . . 72.25 110.572 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -136.49 156.19 48.93 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.285 -1.006 . . . . 73.42 108.285 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -144.02 130.24 19.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.715 2.006 . . . . 65.53 106.362 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -126.91 119.61 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.264 -1.754 . . . . 74.11 106.264 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 m -130.09 153.48 48.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.948 1.299 . . . . 72.4 109.008 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -136.38 138.01 41.14 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.71 1.204 . . . . 71.15 109.922 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -64.19 127.95 33.66 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.051 1.34 . . . . 75.35 113.396 -170.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 103.766 -2.679 . . . . 74.32 103.766 178.61 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 . . . . . 0 N--CA 1.502 2.149 0 N-CA-C 106.561 -1.644 . . . . 73.55 106.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -128.51 -46.25 1.32 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.826 1.25 . . . . 73.41 109.552 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 61.65 -89.65 0.03 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 127.297 2.239 . . . . 75.41 111.682 -173.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -69.68 149.99 47.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.199 0.937 . . . . 64.34 111.404 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -78.71 2.08 20.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.278 1.431 . . . . 73.11 114.497 -168.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -69.22 138.29 53.89 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.71 1.604 . . . . 74.14 110.789 166.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 90.1 t -135.29 137.72 49.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.767 1.227 . . . . 53.41 108.564 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -92.02 178.29 5.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.382 1.473 . . . . 75.2 111.815 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mmm -79.77 46.49 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.583 1.153 . . . . 75.43 112.401 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -82.7 120.36 25.48 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.212 1.805 . . . . 73.21 108.279 171.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.06 -26.38 67.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.577 1.151 . . . . 74.3 113.99 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -54.72 129.3 36.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.722 2.009 . . . . 73.43 114.249 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.74 -175.08 32.2 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.104 -1.198 . . . . 62.3 110.104 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -114.01 141.99 46.73 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.226 1.81 . . . . 72.05 108.939 171.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -144.09 113.02 6.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 124.568 1.167 . . . . 73.55 109.203 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.98 137.75 39.21 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 123.093 0.557 . . . . 63.23 110.062 172.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.24 126.94 29.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.083 1.753 . . . . 75.14 111.678 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -101.94 -44.73 5.41 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.216 1.806 . . . . 70.53 110.579 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -154.13 164.24 38.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.236 1.414 . . . . 74.31 110.213 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.66 155.81 32.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.957 1.303 . . . . 75.34 110.201 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -143.5 142.18 31.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.793 1.237 . . . . 71.24 108.077 -166.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 56.64 29.76 16.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.768 1.627 . . . . 73.35 112.911 -171.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.61 -57.1 14.45 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.291 1.037 . . . . 74.43 113.31 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.73 -39.74 95.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.807 1.243 . . . . 75.45 112.735 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.99 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.255 1.422 . . . . 65.25 113.188 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -79.11 -41.18 29.24 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.268 1.027 . . . . 65.33 112.767 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -27.49 67.77 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.537 1.148 . . . . 73.11 112.398 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.81 -46.53 57.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.436 1.494 . . . . 64.44 111.616 168.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.54 74.18 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.038 1.495 . . . . 42.53 115.038 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 pt -76.22 -17.13 15.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.628 0.973 . . . . 75.12 113.628 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.2 19.34 30.87 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-O 118.267 -1.296 . . . . 73.53 113.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.54 139.29 83.73 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 119.466 1.633 . . . . 73.21 109.167 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.72 145.11 74.38 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.284 1.989 . . . . 73.11 111.814 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.2 -27.9 37.23 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.697 1.369 . . . . 74.13 114.697 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.78 -46.69 84.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.38 1.472 . . . . 71.4 112.363 172.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.39 -25.0 60.38 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.11 1.364 . . . . 73.52 113.218 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.2 mt -69.71 -52.28 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 71.25 110.206 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -70.49 -31.06 68.02 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.315 1.228 . . . . 73.04 114.315 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.78 -10.81 54.91 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.081 -0.961 . . . . 75.32 112.857 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.18 -19.9 9.11 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.082 -1.399 . . . . 74.13 112.88 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -64.62 -38.2 90.2 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.467 1.633 . . . . 75.03 113.381 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.13 -19.02 44.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 72.31 112.86 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -86.33 96.06 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.162 0.985 . . . . 73.13 109.631 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' H ' ' HD3' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -70.29 124.18 23.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.043 0.937 . . . . 74.41 109.972 167.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 -171.75 28.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.722 1.264 . . . . 72.05 111.217 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -129.58 148.8 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.688 1.595 . . . . 70.34 108.397 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 m -128.35 119.91 25.98 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.086 0.867 . . . . 73.45 109.891 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -78.1 148.07 34.37 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.256 0.973 . . . . 74.12 108.632 160.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -134.2 148.82 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 106.481 -1.674 . . . . 75.4 106.481 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.06 148.11 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 125.243 1.417 . . . . 72.01 107.624 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -136.92 103.62 5.22 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.626 -1.25 . . . . 74.4 107.626 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -110.67 70.81 0.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.364 1.866 . . . . 74.22 108.064 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.39 -119.35 7.76 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 109.031 -1.628 . . . . 72.11 109.031 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.24 -31.49 62.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.059 -0.972 . . . . 73.53 112.612 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -70.36 141.94 52.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.749 0.656 . . . . 74.24 111.245 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -129.18 148.53 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.622 1.969 . . . . 75.23 108.799 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.13 146.87 50.23 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.715 -1.217 . . . . 74.12 107.715 165.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.94 142.91 50.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.033 1.333 . . . . 74.03 107.545 162.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.8 m -126.16 125.76 43.0 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.338 -2.097 . . . . 73.11 105.338 162.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.47 105.63 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.349 -1.723 . . . . 71.24 106.349 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -116.96 117.83 30.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.27 1.028 . . . . 74.32 109.967 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.18 146.28 8.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.919 1.288 . . . . 73.21 109.084 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.05 25.15 75.98 Favored Glycine 0 CA--C 1.54 1.644 0 CA-C-O 118.871 -0.961 . . . . 72.42 113.378 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.4 t 66.58 37.62 4.41 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.891 2.076 . . . . 74.02 113.282 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 151.76 35.64 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.025 1.33 . . . . 75.24 109.142 172.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -121.17 117.97 54.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.795 1.309 . . . . 74.12 108.408 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.45 144.22 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 107.39 -1.337 . . . . 72.44 107.39 166.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.66 140.5 49.36 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.624 0.578 . . . . 73.31 110.922 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -118.05 139.8 50.69 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 124.434 1.084 . . . . 62.32 108.219 169.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -132.19 117.94 18.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 106.673 -1.603 . . . . 53.12 106.673 174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -149.44 166.06 30.25 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 124.667 1.229 . . . . 73.13 111.181 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -129.48 123.79 32.4 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.686 -1.227 . . . . 74.33 107.686 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.97 122.76 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 124.118 0.886 . . . . 74.41 111.596 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.07 59.62 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.328 1.442 . . . . 74.31 112.638 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -122.1 154.69 37.03 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.568 1.684 . . . . 71.55 110.479 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -78.67 129.71 35.03 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.087 0.867 . . . . 71.35 109.63 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.5 m -130.62 -164.22 1.4 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.655 1.582 . . . . 73.13 107.685 173.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -127.18 123.97 37.9 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.769 -0.826 . . . . 74.34 108.769 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.07 125.23 50.77 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.256 1.423 . . . . 73.21 109.93 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -76.47 162.86 27.48 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.232 1.583 . . . . 64.43 110.754 169.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.4 p -137.36 175.59 9.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.148 0.979 . . . . 72.12 110.717 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.8 mmm -51.16 -38.36 51.67 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.23 2.212 . . . . 72.21 114.444 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -78.57 -15.97 57.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.189 1.796 . . . . 73.51 114.043 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.92 7.92 73.52 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 118.687 -1.063 . . . . 72.11 112.545 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.42 148.44 48.35 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 118.953 1.377 . . . . 72.14 110.439 166.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -125.1 137.32 54.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.425 1.09 . . . . 75.33 109.055 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.48 145.87 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 124.227 0.954 . . . . 75.31 111.261 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -69.36 134.22 48.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.05 1.34 . . . . 72.22 112.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 t -169.82 153.61 4.95 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.779 1.3 . . . . 74.41 111.341 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.69 148.31 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.792 1.637 . . . . 71.31 110.067 170.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.05 145.5 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.156 -1.054 . . . . 75.24 108.156 168.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -122.0 162.98 20.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.649 1.58 . . . . 73.22 110.039 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.77 129.14 21.21 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.427 1.091 . . . . 75.55 109.775 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -92.09 171.61 8.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.799 1.64 . . . . 65.14 110.896 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.93 4.49 65.72 Favored Glycine 0 CA--C 1.542 1.772 0 CA-C-O 118.745 -1.031 . . . . 74.23 112.963 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.47 36.02 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.568 1.947 . . . . 72.42 112.109 -172.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.83 33.82 22.29 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.463 1.905 . . . . 63.02 114.117 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -128.21 115.54 18.51 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.291 . . . . 75.42 111.297 -168.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 mt -83.33 148.69 27.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.691 1.596 . . . . 74.45 109.428 163.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.6 t -145.48 140.67 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.137 0.975 . . . . 72.15 109.958 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -154.79 166.07 34.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.955 1.702 . . . . 75.01 110.108 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -139.98 127.51 21.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.863 0.865 . . . . 73.45 110.405 173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -142.13 125.11 16.17 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.595 1.558 . . . . 64.14 109.925 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 60.07 32.38 20.98 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.498 1.519 . . . . 73.3 113.4 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.5 t30 71.91 -2.2 2.59 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.38 2.272 . . . . 73.23 114.253 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.7 mt -84.27 96.97 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.367 -1.346 . . . . 74.34 107.367 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.79 139.3 57.78 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.208 -1.034 . . . . 63.13 108.208 163.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 t -135.44 143.1 45.73 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.242 1.017 . . . . 74.21 109.176 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.39 133.35 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.835 1.654 . . . . 74.23 107.002 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -117.45 122.8 44.75 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 108.268 -1.012 . . . . 71.13 108.268 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -122.54 104.54 9.43 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.023 1.329 . . . . 71.35 109.796 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.15 146.76 45.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.958 1.703 . . . . 64.42 111.058 173.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.48 68.89 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.53 1.932 . . . . 71.43 107.538 -177.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.86 -104.44 1.32 Allowed Glycine 0 CA--C 1.533 1.21 0 N-CA-C 109.776 -1.329 . . . . 44.23 109.776 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.95 -1.18 57.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.893 1.677 . . . . 73.33 113.243 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -112.1 145.93 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.199 1.0 . . . . 74.42 109.246 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.9 mm -126.13 119.73 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.974 1.31 . . . . 74.32 107.579 168.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -91.66 137.12 32.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.739 -1.208 . . . . 74.24 107.739 162.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.26 126.38 50.45 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 106.271 -1.751 . . . . 74.51 106.271 165.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.7 m -122.71 142.28 50.87 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.142 -1.058 . . . . 72.14 108.142 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.7 mtt -131.85 153.5 50.12 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.919 0.888 . . . . 64.32 110.013 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.3 m -138.5 115.2 10.66 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.407 1.083 . . . . 73.11 109.333 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 tt -121.19 103.63 9.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.699 -1.963 . . . . 72.23 105.699 171.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.8 -122.81 23.09 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 109.56 -1.416 . . . . 74.52 109.56 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.42 -21.94 30.57 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.966 1.307 . . . . 65.24 112.513 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.31 114.82 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.463 0.705 . . . . 74.05 109.974 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 67.5 t -108.81 85.41 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 124.615 1.197 . . . . 63.55 108.569 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -66.37 147.65 52.99 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.951 1.3 . . . . 72.25 112.331 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -144.39 155.74 43.91 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.078 0.861 . . . . 73.42 109.935 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -144.64 148.34 34.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.546 2.338 . . . . 65.53 108.165 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.87 128.99 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 105.195 -2.15 . . . . 74.11 105.195 166.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -128.18 153.8 46.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.025 1.73 . . . . 72.4 108.171 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -142.03 143.67 33.25 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.678 0.791 . . . . 71.15 110.273 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.16 132.93 51.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.938 2.095 . . . . 75.35 114.393 -167.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 47.3 pt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 125.505 2.574 . . . . 74.32 107.056 173.736 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 . . . . . 0 N--CA 1.5 2.05 0 N-CA-C 107.045 -1.465 . . . . 73.55 107.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 62.36 -151.98 0.36 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.092 1.357 . . . . 73.41 110.11 -162.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 32.5 m80 37.93 85.51 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.933 2.493 . . . . 75.41 116.052 160.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . 0.283 16.1 p80 52.23 -146.35 0.5 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.318 1.847 . . . . 64.34 113.808 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -73.26 -61.22 1.9 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.426 0.691 . . . . 73.11 111.124 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 56.7 66.95 1.07 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.852 2.061 . . . . 74.14 112.286 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.1 133.09 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 109.021 -0.733 . . . . 53.41 109.021 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -106.31 149.23 27.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.367 1.467 . . . . 75.2 110.116 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.89 40.11 26.16 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.288 1.835 . . . . 75.43 112.678 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -130.17 139.26 50.88 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.816 1.247 . . . . 73.21 109.841 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -61.19 -20.94 63.34 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.066 1.746 . . . . 74.3 114.593 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 m -55.02 123.54 13.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.648 1.979 . . . . 73.43 113.383 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.09 179.4 31.11 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 110.327 -1.109 . . . . 62.3 110.327 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -118.81 135.95 54.26 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.802 1.641 . . . . 72.05 108.658 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -138.92 116.55 11.39 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.191 1.397 . . . . 73.55 109.707 -168.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -76.44 141.91 41.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.828 -0.434 . . . . 63.23 109.828 171.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD22 ' H ' ' A' ' 37' ' ' GLY . 58.3 tp -55.12 128.62 34.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.204 1.801 . . . . 75.14 111.921 169.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.5 -58.51 1.91 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 124.861 1.351 . . . . 70.53 109.369 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -161.44 169.58 21.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.539 1.135 . . . . 74.31 110.191 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 pm0 -158.16 149.37 21.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.191 1.397 . . . . 75.34 109.865 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.78 142.29 46.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.96 1.304 . . . . 71.24 109.787 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 57.97 39.32 26.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.452 2.301 . . . . 73.35 113.161 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.7 -53.16 61.22 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.939 1.296 . . . . 74.43 112.738 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.64 -38.75 92.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.918 1.687 . . . . 75.45 112.408 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.97 88.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.995 1.318 . . . . 65.25 112.9 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.41 -42.79 61.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.71 1.204 . . . . 65.33 112.132 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.01 62.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.578 1.151 . . . . 73.11 112.916 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -73.62 -46.04 49.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.586 1.155 . . . . 64.44 111.309 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.67 80.18 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 125.197 1.399 . . . . 42.53 114.379 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.5 pt -75.24 -16.27 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 N-CA-C 114.024 1.12 . . . . 75.12 114.024 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.64 22.26 37.4 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-O 118.503 -1.165 . . . . 73.53 113.12 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -68.54 141.71 93.42 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.141 1.47 . . . . 73.21 109.036 166.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.52 139.06 74.11 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.17 1.914 . . . . 73.11 111.459 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -52.77 -28.1 20.88 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.261 1.424 . . . . 74.13 114.153 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.27 -49.19 78.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.798 1.639 . . . . 71.4 112.27 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.61 -22.28 65.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.998 1.319 . . . . 73.52 113.815 172.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -73.88 -55.11 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 118.822 0.737 . . . . 71.25 110.175 174.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -71.94 -25.46 61.9 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.797 1.036 . . . . 73.04 113.797 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -81.6 -35.07 30.54 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.003 0.921 . . . . 75.32 111.466 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.75 -21.11 64.38 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 118.429 -1.206 . . . . 74.13 113.874 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -68.88 -36.22 77.82 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.014 1.407 . . . . 75.03 112.382 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 -25.6 35.89 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.133 1.373 . . . . 72.31 113.906 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.13 100.49 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.48 0.582 . . . . 73.13 109.508 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 99.89 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.501 1.92 . . . . 74.41 111.188 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' H ' HD22 ' A' ' 9' ' ' LEU . . . -73.72 172.65 50.71 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 114.852 -1.067 . . . . 72.05 112.115 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.2 t -137.56 143.93 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.208 1.403 . . . . 70.34 107.655 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -115.91 147.52 41.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.327 1.451 . . . . 73.45 108.708 169.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -140.46 112.43 7.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.659 -1.238 . . . . 74.12 107.659 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -111.24 146.88 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.029 -1.1 . . . . 75.4 108.029 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.3 104.26 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.917 0.887 . . . . 72.01 108.788 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.33 132.95 34.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.539 1.136 . . . . 74.4 109.861 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -135.8 68.88 1.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.116 1.766 . . . . 74.22 107.748 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.73 -106.18 1.74 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.365 -1.494 . . . . 72.11 109.365 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -37.75 51.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.323 1.049 . . . . 73.53 112.625 174.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -74.74 148.15 40.72 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 123.649 0.593 . . . . 74.24 111.812 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.03 115.56 9.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.958 2.103 . . . . 75.23 108.804 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -94.1 136.91 33.88 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.802 1.314 . . . . 74.12 107.503 163.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.81 139.81 53.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.528 1.531 . . . . 74.03 107.658 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 m -133.3 142.3 48.41 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.146 -1.427 . . . . 73.11 107.146 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -140.97 141.7 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.785 -1.561 . . . . 71.24 106.785 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -137.42 126.47 24.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.023 -1.102 . . . . 74.32 108.023 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.3 154.02 10.11 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 73.21 109.892 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.42 -84.18 0.97 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.088 -1.205 . . . . 72.42 110.088 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 84.9 p -163.91 24.74 0.08 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.02 1.728 . . . . 74.02 111.362 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 152.91 40.56 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.385 1.074 . . . . 75.24 110.902 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.37 131.94 62.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 125.048 1.468 . . . . 74.12 109.0 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mt -104.23 141.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 128.025 2.53 . . . . 72.44 108.349 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -139.8 131.03 26.59 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.359 1.037 . . . . 73.31 109.32 166.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -123.34 138.44 54.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.158 1.783 . . . . 62.32 107.291 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -135.0 125.84 27.38 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.359 1.064 . . . . 53.12 108.282 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -152.57 157.78 41.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.684 1.24 . . . . 73.13 111.231 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -122.04 126.34 48.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.21 126.75 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.915 0.759 . . . . 74.41 111.978 -169.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 3.87 68.95 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.18 1.372 . . . . 74.31 112.644 -171.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -129.03 146.45 51.0 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.273 1.536 . . . . 71.55 110.128 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.88 118.88 18.33 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.014 0.926 . . . . 71.35 110.681 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.28 152.13 44.25 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.336 1.455 . . . . 73.13 109.183 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -90.61 110.43 21.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.484 0.49 . . . . 74.34 111.339 -172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.71 140.34 29.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.469 1.508 . . . . 73.21 110.387 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 158.26 20.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.215 1.806 . . . . 64.43 111.203 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -129.36 162.6 27.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.601 1.56 . . . . 72.12 109.945 172.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.8 mmt -53.22 -29.47 32.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.107 1.763 . . . . 72.21 115.692 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.1 p -78.25 -8.88 58.88 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.276 1.431 . . . . 73.51 114.065 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.72 81.39 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.476 -1.18 . . . . 72.11 112.375 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.8 146.67 52.68 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.012 1.406 . . . . 72.14 110.35 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -128.21 137.25 51.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 124.331 1.019 . . . . 75.33 109.763 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -143.56 140.88 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.49 1.116 . . . . 75.31 111.55 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -70.1 137.69 51.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.904 1.681 . . . . 72.22 111.179 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -167.59 147.41 5.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.362 1.065 . . . . 74.41 110.582 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.7 t -91.88 114.55 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.532 -0.914 . . . . 71.31 108.532 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.6 t -85.64 147.19 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.497 -0.927 . . . . 75.24 108.497 168.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -121.03 156.5 32.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.427 1.091 . . . . 73.22 110.129 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.0 126.78 52.52 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 124.982 1.426 . . . . 75.55 108.27 169.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.79 165.51 13.23 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.892 1.677 . . . . 65.14 110.073 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.31 -1.74 81.98 Favored Glycine 0 CA--C 1.539 1.574 0 CA-C-O 118.32 -1.267 . . . . 74.23 114.675 -172.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.42 51.85 1.06 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.389 1.476 . . . . 72.42 111.271 -172.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.17 41.06 19.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.617 2.367 . . . . 63.02 114.297 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -133.88 143.97 48.61 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.405 1.482 . . . . 75.42 111.119 -171.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.0 mt -116.11 149.67 38.61 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.648 1.979 . . . . 74.45 108.422 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.9 t -142.08 139.71 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.152 0.981 . . . . 72.15 109.44 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.6 t -155.0 170.26 22.17 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.371 1.468 . . . . 75.01 110.171 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -140.27 129.02 23.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.07 0.948 . . . . 73.45 109.141 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.15 131.88 27.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.981 1.313 . . . . 64.14 108.067 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.53 47.9 22.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.75 1.62 . . . . 73.3 114.903 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 73.75 -3.57 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.387 1.875 . . . . 73.23 113.858 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.79 104.77 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.457 1.503 . . . . 74.34 108.473 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.77 127.78 33.57 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.803 0.689 . . . . 63.13 109.412 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 t -117.25 140.69 49.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 74.21 109.602 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.5 135.47 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 106.992 -1.485 . . . . 74.23 106.992 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 m -127.02 145.47 50.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.137 0.975 . . . . 71.13 108.774 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -146.57 141.14 26.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.499 0.72 . . . . 71.35 111.168 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.5 tp -111.59 94.11 4.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.664 1.986 . . . . 64.42 108.743 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -95.17 78.05 3.5 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.007 0.923 . . . . 71.43 109.007 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.77 -113.73 5.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 109.433 -1.467 . . . . 44.23 109.433 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.42 0.3 57.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.892 1.677 . . . . 73.33 113.465 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 mm -105.94 136.7 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.619 1.168 . . . . 74.42 108.285 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mm -111.26 128.11 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.296 1.038 . . . . 74.32 108.754 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 m -105.98 141.72 36.9 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.551 1.157 . . . . 74.24 108.488 167.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.25 147.95 47.71 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.243 1.417 . . . . 74.51 107.636 162.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 88.8 m -136.68 135.4 38.18 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.183 1.393 . . . . 72.14 107.414 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.6 mmt -122.07 144.89 48.64 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.179 1.392 . . . . 64.32 108.178 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.8 m -138.29 89.62 2.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.032 0.933 . . . . 73.11 108.582 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.7 tp -101.78 105.35 16.2 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 125.687 1.595 . . . . 72.23 109.256 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.27 -102.75 0.32 Allowed Glycine 0 CA--C 1.536 1.351 0 O-C-N 124.775 1.297 . . . . 74.52 111.685 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.15 -11.77 27.58 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.122 1.769 . . . . 65.24 112.751 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.7 mm -101.94 136.71 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.06 1.344 . . . . 74.05 110.315 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.1 t -120.41 94.25 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.548 1.139 . . . . 63.55 108.134 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -84.44 146.9 27.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.051 1.341 . . . . 72.25 111.125 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -145.62 150.36 36.2 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.398 -0.964 . . . . 73.42 108.398 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.03 139.8 26.35 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.018 1.727 . . . . 65.53 108.675 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.6 129.29 55.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 107.363 -1.347 . . . . 74.11 107.363 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -133.51 155.37 49.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.669 1.588 . . . . 72.4 108.362 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -139.68 143.07 36.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.598 0.759 . . . . 71.15 110.285 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.3 129.8 43.45 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.974 1.71 . . . . 75.35 114.055 -169.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 30.2 pt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 125.378 2.513 . . . . 74.32 107.558 178.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 106.833 -1.543 . . . . 73.55 106.833 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 7.1 p80 50.26 16.22 0.25 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 129.09 2.956 . . . . 73.41 117.604 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 62.5 m80 66.57 153.51 0.08 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.791 2.436 . . . . 75.41 112.829 -165.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -56.8 -49.87 74.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.587 1.555 . . . . 64.34 114.886 -166.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -175.23 -45.96 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.406 1.483 . . . . 73.11 110.246 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -148.83 178.08 8.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.008 2.123 . . . . 74.14 108.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.83 119.47 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.466 1.106 . . . . 53.41 112.684 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -130.88 46.61 2.64 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.634 1.573 . . . . 75.2 109.194 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ptm -153.66 33.08 0.45 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.304 1.442 . . . . 75.43 110.779 -176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -76.34 144.8 39.94 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.088 0.555 . . . . 73.21 110.445 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -65.4 -18.45 65.33 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.186 1.18 . . . . 74.3 114.186 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -57.01 138.0 54.94 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.859 . . . . 73.43 114.377 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.04 23.02 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 124.281 0.988 . . . . 62.3 110.913 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -109.15 141.12 41.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.627 1.971 . . . . 72.05 108.966 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -142.56 106.1 4.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.012 1.325 . . . . 73.55 110.062 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -70.6 141.16 51.78 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.743 0.817 . . . . 63.23 111.16 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.3 tp -57.27 124.66 19.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.726 1.61 . . . . 75.14 111.308 167.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -98.79 -49.13 4.68 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.516 1.135 . . . . 70.53 110.608 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.7 167.52 20.95 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 124.369 1.068 . . . . 74.31 111.07 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -157.99 150.03 22.0 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.512 1.125 . . . . 75.34 110.769 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -129.51 141.56 50.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.747 1.619 . . . . 71.24 109.551 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 58.7 29.3 18.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.153 2.181 . . . . 73.35 112.84 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.21 -52.72 64.39 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.56 1.544 . . . . 74.43 111.871 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.99 -35.25 80.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.718 1.261 . . . . 75.45 113.632 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.84 76.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.726 1.211 . . . . 65.25 112.791 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -76.63 -40.14 50.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.357 1.463 . . . . 65.33 113.333 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -26.84 62.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.5 1.12 . . . . 73.11 112.244 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -72.03 -40.26 68.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.477 1.111 . . . . 64.44 111.581 166.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.58 -22.31 65.38 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.882 1.438 . . . . 42.53 114.882 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 pt -92.44 -11.48 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.059 0.944 . . . . 75.12 113.064 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.84 22.43 39.17 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.137 -1.368 . . . . 73.53 113.961 170.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -67.0 145.72 98.96 Favored Pre-proline 0 CA--C 1.551 0.986 0 CA-C-N 119.625 1.712 . . . . 73.21 110.502 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.22 138.14 65.04 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.842 2.361 . . . . 73.11 112.413 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.77 -26.42 65.68 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.486 1.662 . . . . 74.13 115.486 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -64.84 -43.0 94.47 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 71.4 112.869 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -71.23 -18.64 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.833 1.253 . . . . 73.52 112.941 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.96 -53.85 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.551 0.741 . . . . 71.25 110.368 168.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.61 -26.19 65.23 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.1 1.519 . . . . 73.04 115.1 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -98.18 -26.04 14.69 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 118.157 -0.925 . . . . 75.32 112.098 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -25.72 69.59 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-O 118.94 -0.922 . . . . 74.13 112.412 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -72.06 -29.47 64.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.226 1.013 . . . . 75.03 112.176 171.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.13 -45.15 20.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.602 1.561 . . . . 72.31 111.257 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.9 mm -66.26 114.46 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.562 1.145 . . . . 73.13 111.227 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -74.65 127.01 32.06 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 124.51 1.132 . . . . 74.41 109.855 168.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.07 -174.97 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 125.102 1.501 . . . . 72.05 110.225 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.67 138.79 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.94 1.296 . . . . 70.34 107.768 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -113.21 134.68 54.46 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.757 1.223 . . . . 73.45 108.274 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.75 144.35 41.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 108.574 -0.898 . . . . 74.12 108.574 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.83 143.69 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.843 -1.539 . . . . 75.4 106.843 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -140.92 94.53 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.319 -0.993 . . . . 72.01 108.319 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.06 122.96 25.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.353 1.061 . . . . 74.4 109.906 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -129.86 67.08 1.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.247 1.819 . . . . 74.22 107.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.59 -121.73 6.92 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 108.685 -1.766 . . . . 72.11 108.685 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -31.38 68.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.031 0.932 . . . . 73.53 112.593 171.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -71.58 150.17 44.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.052 0.941 . . . . 74.24 112.167 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.08 141.75 36.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.848 2.059 . . . . 75.23 109.157 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -106.41 148.88 27.59 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 124.631 1.207 . . . . 74.12 109.754 153.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -135.57 93.12 2.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.67 1.988 . . . . 74.03 107.967 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 m -84.66 141.65 30.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.099 0.96 . . . . 73.11 109.292 170.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -140.24 115.2 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.386 -1.339 . . . . 71.24 107.386 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -111.84 121.54 45.33 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.384 1.074 . . . . 74.32 108.989 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 136.49 1.79 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.552 1.141 . . . . 73.21 109.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.78 61.2 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-O 118.886 -0.952 . . . . 72.42 113.066 174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.5 m 63.97 40.74 7.04 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.678 1.991 . . . . 74.02 113.433 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.48 150.74 32.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.689 1.596 . . . . 75.24 108.061 171.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.4 114.68 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.599 1.187 . . . . 74.12 108.625 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.0 141.46 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 107.884 -1.154 . . . . 72.44 107.884 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -129.4 138.54 51.55 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 124.387 1.054 . . . . 73.31 108.533 160.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -131.8 138.25 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 62.32 107.949 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -122.14 139.99 53.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 125.597 1.811 . . . . 53.12 109.193 172.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.55 163.29 40.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 124.948 1.405 . . . . 73.13 110.614 171.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -133.05 121.99 23.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.247 -1.39 . . . . 74.33 107.247 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -72.15 128.04 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 123.922 0.764 . . . . 74.41 111.824 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.95 1.98 69.64 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.297 -1.28 . . . . 74.31 112.297 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -130.51 153.08 49.2 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 125.633 1.573 . . . . 71.55 110.007 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.18 122.93 29.03 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.715 0.806 . . . . 71.35 110.62 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 99.4 m -138.34 161.36 37.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.089 1.356 . . . . 73.13 110.372 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.1 99.76 9.29 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.294 1.038 . . . . 74.34 110.654 -162.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD11 ' HG1' ' A' ' 93' ' ' THR . 84.6 mt -90.27 139.72 30.38 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.849 1.26 . . . . 73.21 111.969 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.86 153.14 25.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.517 1.927 . . . . 64.43 110.349 169.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -115.03 160.66 19.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.612 1.565 . . . . 72.12 109.702 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.64 -22.45 34.41 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 116.359 1.985 . . . . 72.21 116.359 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -78.98 -23.11 44.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.699 1.6 . . . . 73.51 113.685 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.24 6.02 29.87 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.799 1.19 . . . . 72.11 112.986 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 157.77 30.59 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.3 1.55 . . . . 72.14 109.676 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -132.4 144.21 50.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.134 0.974 . . . . 75.33 111.269 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.81 150.28 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.665 1.186 . . . . 75.31 111.473 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.73 146.05 36.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.472 1.509 . . . . 72.22 111.792 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -170.73 142.56 1.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.386 1.474 . . . . 74.41 110.5 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.42 127.74 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.497 0.719 . . . . 71.31 109.231 169.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.12 150.63 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 124.74 1.275 . . . . 75.24 108.331 173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -130.64 155.62 46.27 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.353 1.061 . . . . 73.22 110.455 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -121.65 133.49 54.97 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 125.105 1.503 . . . . 75.55 108.226 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.05 168.2 9.6 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.961 1.413 . . . . 65.14 110.426 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 1.45 21.23 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.581 1.563 . . . . 74.23 115.893 -170.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -118.37 37.5 4.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.655 1.582 . . . . 72.42 112.163 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.334 0.0 OUTLIER 56.74 38.08 29.25 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.675 1.99 . . . . 63.02 113.99 178.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -127.21 134.58 50.09 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 124.614 1.166 . . . . 75.42 111.096 -171.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.83 149.52 26.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.618 1.567 . . . . 74.45 109.196 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -142.88 135.38 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 72.15 109.361 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.508 ' HG1' HD11 ' A' ' 71' ' ' LEU . 9.8 t -148.3 159.84 43.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.886 1.674 . . . . 75.01 110.358 178.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.2 m -138.27 110.17 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.39 0.676 . . . . 73.45 110.809 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -133.14 133.45 42.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.214 1.406 . . . . 64.14 109.848 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt 40.67 63.14 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.249 2.22 . . . . 73.3 114.927 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . 0.289 4.3 p30 67.1 -9.07 0.4 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.753 2.421 . . . . 73.23 116.084 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.5 mt -95.41 110.7 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 124.948 1.299 . . . . 74.34 109.29 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -79.94 101.08 8.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.603 1.561 . . . . 63.13 108.016 168.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 t -99.1 140.95 32.5 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.485 1.114 . . . . 74.21 110.874 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -133.42 140.8 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.434 1.894 . . . . 74.23 107.381 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -128.61 150.7 50.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.061 0.944 . . . . 71.13 108.7 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -143.82 118.05 9.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.039 0.936 . . . . 71.35 109.557 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -75.73 135.93 40.34 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.768 1.292 . . . . 64.42 108.582 160.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.36 73.16 1.23 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.092 -1.077 . . . . 71.43 108.092 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.8 -100.93 1.37 Allowed Glycine 0 C--N 1.346 1.104 0 N-CA-C 108.715 -1.754 . . . . 44.23 108.715 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -109.61 -6.14 15.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.317 1.847 . . . . 73.33 112.369 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.49 130.11 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.403 1.081 . . . . 74.42 108.452 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.9 mm -113.25 115.75 50.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.348 -0.982 . . . . 74.32 108.348 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.8 m -96.65 139.27 32.97 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.127 0.892 . . . . 74.24 108.631 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -123.53 137.7 54.71 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 106.979 -1.489 . . . . 74.51 106.979 168.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.0 m -134.53 137.64 44.0 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.47 1.108 . . . . 72.14 108.721 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.5 mtt -137.5 101.78 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.319 1.047 . . . . 64.32 109.906 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 99.8 m -85.46 110.65 19.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.504 1.122 . . . . 73.11 110.03 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tt -111.46 90.84 3.45 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.886 2.074 . . . . 72.23 107.18 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.78 -102.88 0.81 Allowed Glycine 0 CA--C 1.536 1.38 0 N-CA-C 110.213 -1.155 . . . . 74.52 110.213 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.51 -6.08 19.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.455 1.502 . . . . 65.24 112.439 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -92.73 144.01 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.762 1.225 . . . . 74.05 108.721 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.7 t -131.19 93.56 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.905 -0.776 . . . . 63.55 108.905 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.89 151.59 44.57 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.418 1.087 . . . . 72.25 111.867 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -149.62 144.67 26.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.632 1.208 . . . . 73.42 108.977 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -122.23 158.14 30.1 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.528 1.131 . . . . 65.53 110.14 161.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.68 127.01 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 105.75 -1.944 . . . . 74.11 105.75 165.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 m -126.69 160.15 31.61 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.734 1.614 . . . . 72.4 108.518 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -146.83 140.01 25.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.611 0.764 . . . . 71.15 110.25 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.21 136.17 57.87 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 126.304 1.841 . . . . 75.35 113.81 -171.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 103.301 -2.852 . . . . 74.32 103.301 175.161 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 119.06 -0.495 . . . . 73.21 109.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.86 69.36 6.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.223 1.009 . . . . 74.3 108.634 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -135.49 111.22 9.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.882 1.273 . . . . 73.43 109.075 -171.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -172.22 34.67 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.087 -1.205 . . . . 62.3 110.087 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -125.65 136.46 53.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.116 1.366 . . . . 72.05 108.498 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.77 121.7 13.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 73.55 109.724 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.27 145.08 30.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.092 0.557 . . . . 63.23 110.049 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.48 124.35 17.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.584 1.553 . . . . 73.22 111.222 166.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -94.18 -49.41 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 124.407 1.067 . . . . 70.53 109.748 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.7 p -164.43 171.64 14.42 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.157 1.383 . . . . 65.41 110.585 -175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -161.79 147.22 13.37 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.151 1.38 . . . . 74.31 110.235 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.67 142.09 51.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.385 1.874 . . . . 45.34 109.967 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.77 30.1 18.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.057 2.143 . . . . 73.35 112.725 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.1 -50.17 74.74 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.418 1.487 . . . . 63.43 113.195 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.47 -34.35 76.98 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.712 1.257 . . . . 73.44 113.109 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.93 79.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.722 1.209 . . . . 65.25 112.96 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -77.79 -42.99 32.01 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 124.818 1.247 . . . . 65.33 113.906 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.26 65.32 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.337 1.023 . . . . 65.41 111.894 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmmt? -76.82 -37.07 56.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.269 1.427 . . . . 62.15 112.349 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.93 65.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.507 1.299 . . . . 42.34 114.507 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 pt -87.84 -18.84 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 123.919 0.888 . . . . 75.12 112.608 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.17 29.39 9.68 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.272 -1.294 . . . . 70.33 113.393 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.7 146.48 95.81 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 119.512 1.656 . . . . 73.21 109.826 165.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.17 137.49 61.66 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.692 2.261 . . . . 71.41 112.32 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.03 -27.24 63.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.15 1.78 . . . . 74.13 115.088 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.11 -50.56 71.4 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.015 0.926 . . . . 65.14 112.982 168.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.13 -21.54 66.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.044 1.337 . . . . 72.24 113.308 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.72 -61.06 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.85 0.86 . . . . 71.25 109.914 168.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -64.4 -24.26 67.57 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.672 1.73 . . . . 72.51 115.672 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -90.8 -41.27 11.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.296 -0.859 . . . . 74.44 111.262 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.9 -19.51 69.74 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.054 1.312 . . . . 50.4 114.22 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -66.28 -34.51 78.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.834 1.317 . . . . 75.03 113.34 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.95 -17.18 22.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.199 1.4 . . . . 72.31 112.664 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 17.9 mm -72.48 112.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 N-CA-C 108.816 -0.809 . . . . 62.22 108.816 170.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 119.28 10.34 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 124.809 1.318 . . . . 74.41 110.412 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.08 168.24 24.41 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.569 1.168 . . . . 45.33 110.394 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.09 148.41 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.648 1.579 . . . . 70.34 108.092 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -126.26 149.75 48.88 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.171 1.388 . . . . 54.13 109.011 170.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -143.06 109.09 5.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.797 -1.186 . . . . 74.12 107.797 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.25 146.18 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 107.466 -1.309 . . . . 75.4 107.466 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.28 103.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 109.134 -0.691 . . . . 72.01 109.134 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.16 124.78 28.66 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.262 -0.644 . . . . 74.4 109.262 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -126.09 74.23 1.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.136 1.774 . . . . 74.22 106.998 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 -120.87 7.15 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.874 -1.69 . . . . 72.11 108.874 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -25.71 56.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 117.975 -1.012 . . . . 73.11 112.756 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -71.99 147.94 46.42 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.802 0.841 . . . . 54.34 111.586 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 91' ' ' LEU . 39.7 m-85 -141.27 123.27 15.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.202 1.801 . . . . 75.23 109.503 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -91.65 146.07 24.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.531 1.144 . . . . 74.12 110.144 156.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -136.39 100.83 4.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 126.006 1.722 . . . . 74.03 107.853 171.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -95.48 139.63 31.49 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.133 0.896 . . . . 73.11 108.686 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -138.8 133.09 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.025 -1.472 . . . . 71.24 107.025 173.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -130.95 125.29 33.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.301 1.04 . . . . 74.21 108.922 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.17 149.38 4.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.682 1.593 . . . . 71.34 108.935 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 70.18 22.68 77.45 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-O 118.926 -0.93 . . . . 72.42 113.012 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 m 65.67 23.12 11.63 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.4 2.28 . . . . 74.02 114.379 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 151.35 50.45 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.424 1.49 . . . . 75.24 109.472 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.83 141.49 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.904 1.282 . . . . 55.31 108.905 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.99 131.04 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.863 -1.903 . . . . 72.32 105.863 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.83 136.42 54.91 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 124.086 0.866 . . . . 73.31 109.431 167.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -125.14 147.13 49.16 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 125.322 1.639 . . . . 52.35 109.05 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -130.6 137.1 49.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 125.728 1.893 . . . . 44.03 107.992 168.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE2' HG11 ' A' ' 83' ' ' VAL . 52.5 p90 -153.09 170.53 20.26 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.661 1.226 . . . . 73.04 109.964 171.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 m -134.36 127.13 31.04 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.58 137.94 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.672 0.607 . . . . 74.41 111.761 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.39 -13.18 58.69 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.05 1.309 . . . . 74.31 112.334 -172.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -110.04 160.76 16.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.564 1.945 . . . . 65.44 109.412 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -92.72 129.57 38.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.947 0.899 . . . . 71.35 109.984 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.7 m -143.05 156.56 44.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.102 1.361 . . . . 73.13 109.608 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.42 112.98 25.12 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.821 0.848 . . . . 74.34 110.233 -174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -99.19 124.84 44.56 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.943 1.297 . . . . 65.33 110.468 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.6 148.39 27.18 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.709 2.003 . . . . 64.43 110.536 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 p -121.22 172.87 7.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.051 1.341 . . . . 65.2 110.67 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.4 mmt -57.01 -33.16 66.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.114 1.766 . . . . 72.21 114.181 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -75.82 -15.47 60.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.234 1.813 . . . . 54.03 113.611 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.09 60.95 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-O 117.874 -1.514 . . . . 72.11 112.933 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.56 140.46 57.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.852 1.826 . . . . 51.14 111.483 173.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -114.99 133.66 55.84 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 125.184 1.552 . . . . 73.24 107.918 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.78 140.35 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 O-C-N 124.255 0.972 . . . . 52.22 109.565 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -72.14 137.26 46.87 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.158 0.911 . . . . 64.23 111.626 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -165.15 144.94 6.89 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.933 1.395 . . . . 74.41 110.126 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.62 140.17 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.075 0.95 . . . . 71.31 109.092 171.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 63' ' ' PHE . 25.5 t -111.66 139.23 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.186 0.929 . . . . 75.24 108.858 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -113.54 158.26 20.99 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.654 1.581 . . . . 72.33 110.215 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -137.58 137.6 38.71 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.225 1.41 . . . . 74.15 109.046 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.73 159.33 16.84 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.09 1.356 . . . . 65.14 109.657 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.16 21.11 1.8 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.732 1.634 . . . . 74.23 114.179 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.62 22.69 9.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.319 1.848 . . . . 70.11 110.688 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 69.9 30.44 3.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.755 1.622 . . . . 53.43 112.412 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -113.26 148.42 35.61 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.212 1.005 . . . . 75.42 110.346 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 48' ' ' PHE . 33.9 mt -121.7 151.77 40.12 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.546 1.539 . . . . 64.04 108.491 167.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.47 128.39 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 124.492 1.117 . . . . 62.55 108.881 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -146.33 143.26 29.01 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.709 1.204 . . . . 74.54 110.213 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -125.26 120.81 32.25 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.623 0.769 . . . . 73.45 109.89 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -143.92 126.05 15.51 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.413 1.085 . . . . 64.14 109.753 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp 59.4 29.09 18.61 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.009 1.324 . . . . 73.3 113.36 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 t30 72.45 5.5 5.27 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.458 2.303 . . . . 72.01 114.371 -170.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.44 HG12 HD12 ' A' ' 115' ' ' LEU . 27.3 mt -87.0 101.71 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 125.123 1.369 . . . . 73.41 107.889 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -81.75 82.83 7.31 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.251 1.82 . . . . 61.23 109.692 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 t -76.46 137.14 39.5 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.853 0.861 . . . . 34.33 111.62 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -134.75 133.96 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.87 1.668 . . . . 74.23 106.848 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -123.06 153.43 39.9 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.649 1.18 . . . . 45.21 108.882 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -149.67 122.07 8.47 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.647 0.779 . . . . 63.03 110.279 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.8 135.57 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.44 1.496 . . . . 52.4 109.014 168.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.69 81.24 1.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.073 -1.084 . . . . 62.45 108.073 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.15 -104.98 1.66 Allowed Glycine 0 C--N 1.346 1.136 0 N-CA-C 108.815 -1.714 . . . . 44.23 108.815 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -102.57 -2.98 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.384 1.874 . . . . 73.33 112.713 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.1 mm -109.61 137.27 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.527 1.131 . . . . 74.42 109.395 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 50.5 mm -115.02 110.52 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.337 1.055 . . . . 74.32 108.948 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -89.66 141.63 28.43 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.488 1.117 . . . . 74.24 108.821 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -135.94 146.51 47.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.653 1.581 . . . . 72.21 108.18 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.6 m -142.95 142.43 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.932 1.693 . . . . 72.14 107.499 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 47.0 mtt -137.52 122.23 18.66 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.075 0.95 . . . . 62.25 108.771 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 m -113.23 110.76 20.92 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.921 0.763 . . . . 72.1 109.938 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.44 HD12 HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -120.33 107.86 13.46 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.636 -1.246 . . . . 64.34 107.636 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.55 -94.69 0.66 Allowed Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.587 -1.405 . . . . 74.52 109.587 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -124.56 -5.28 7.64 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.47 1.508 . . . . 65.24 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.5 mm -84.4 112.45 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.676 0.791 . . . . 63.52 109.419 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.1 t -100.94 84.46 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.451 1.094 . . . . 43.32 108.112 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.88 144.22 50.76 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.497 1.119 . . . . 72.25 110.683 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -148.27 145.02 28.02 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.437 1.086 . . . . 73.41 109.153 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.73 139.4 29.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.383 1.873 . . . . 63.42 108.292 -163.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.02 124.52 46.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.728 -1.212 . . . . 61.45 107.728 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 m -134.26 154.97 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.462 1.505 . . . . 34.43 109.696 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -144.03 142.98 30.97 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.662 1.185 . . . . 71.15 110.003 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -53.07 135.23 37.69 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 126.61 1.964 . . . . 73.33 114.02 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 124.419 2.057 . . . . 70.3 106.462 176.214 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 120.443 0.164 . . . . 73.21 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -55.89 -25.21 41.62 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.048 1.87 . . . . 74.3 116.048 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -59.01 134.83 57.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.412 1.485 . . . . 73.43 114.995 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.94 177.76 19.11 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 124.688 1.243 . . . . 62.3 110.076 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -102.66 140.24 37.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.739 1.616 . . . . 72.05 109.51 171.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -139.7 109.75 6.45 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.919 1.288 . . . . 73.55 109.856 -173.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -75.15 141.46 43.69 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.966 0.506 . . . . 63.23 111.045 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.24 130.27 38.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.857 2.063 . . . . 73.22 112.658 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -103.43 -58.38 1.88 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.835 1.334 . . . . 70.53 109.908 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -153.25 161.98 41.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.594 1.158 . . . . 65.41 110.963 -170.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -156.33 148.19 22.97 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.371 1.044 . . . . 74.31 110.419 173.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -121.19 142.03 50.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.052 1.741 . . . . 45.34 108.895 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 58.04 36.91 26.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.977 2.111 . . . . 73.35 112.772 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.21 -53.36 57.89 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.786 1.234 . . . . 63.43 112.366 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -40.01 95.07 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.088 1.755 . . . . 73.44 112.437 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.4 85.24 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.569 1.548 . . . . 65.25 112.875 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -75.85 -42.8 48.5 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 124.233 1.013 . . . . 65.33 113.019 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -27.92 67.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.331 1.019 . . . . 65.41 112.493 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.45 -48.29 56.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 62.15 111.601 166.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.37 73.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.916 1.45 . . . . 42.34 114.916 -173.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.85 -17.27 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 N-CA-C 113.567 0.951 . . . . 75.12 113.567 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 18.64 28.99 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 118.094 -1.392 . . . . 70.33 113.182 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.05 140.91 88.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.618 1.709 . . . . 73.21 109.863 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -64.92 143.66 80.19 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.664 2.242 . . . . 71.41 112.109 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.71 -30.55 44.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.202 1.556 . . . . 74.13 115.202 -173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.32 -34.05 74.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.383 -0.818 . . . . 65.14 113.069 177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.92 -20.62 59.63 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 117.88 -1.057 . . . . 72.24 113.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.26 -53.85 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.447 0.699 . . . . 71.25 109.953 171.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -67.47 -22.02 65.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.89 1.441 . . . . 72.51 114.89 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -90.25 -46.69 8.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.643 0.777 . . . . 74.44 110.562 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -19.18 70.29 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.326 1.441 . . . . 50.4 114.562 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.07 -26.44 66.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.888 1.344 . . . . 75.03 113.381 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -110.12 -8.51 14.78 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.945 1.698 . . . . 72.31 113.787 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.652 HG21 ' H ' ' A' ' 55' ' ' GLY . 47.6 mm -75.4 103.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 119.527 1.058 . . . . 62.22 109.159 170.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 98.22 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.275 2.23 . . . . 74.41 111.241 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.18 165.15 54.59 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.382 1.051 . . . . 45.33 111.677 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.24 137.94 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 107.565 -1.272 . . . . 70.34 107.565 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 t -111.21 156.85 20.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.113 1.365 . . . . 54.13 108.637 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -142.21 144.45 33.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.224 -1.398 . . . . 74.12 107.224 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -138.16 151.2 24.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.751 -1.203 . . . . 75.4 107.751 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 t -141.32 140.81 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.317 1.447 . . . . 72.01 107.296 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -123.66 126.08 45.94 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.419 1.088 . . . . 74.4 108.752 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -133.91 70.09 1.46 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.33 1.852 . . . . 74.22 108.063 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.65 -114.51 5.14 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.427 -1.469 . . . . 72.11 109.427 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.06 -29.93 49.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.472 1.109 . . . . 73.11 112.468 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.59 137.98 44.62 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 54.34 110.889 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -124.89 149.92 47.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.654 1.582 . . . . 75.23 108.864 169.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -132.06 132.08 43.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.882 -1.525 . . . . 74.12 106.882 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -115.55 149.58 37.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.303 1.441 . . . . 74.03 109.137 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -130.48 140.67 50.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.321 1.848 . . . . 73.11 106.915 166.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -137.58 122.72 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.2 -1.778 . . . . 71.24 106.2 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -123.09 112.54 17.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.943 1.297 . . . . 74.21 108.484 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.48 139.25 5.56 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.696 1.198 . . . . 71.34 109.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.652 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 84.04 32.07 24.41 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-O 118.755 -1.025 . . . . 72.42 112.284 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t 65.17 28.59 12.12 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.487 1.915 . . . . 74.02 113.213 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 150.91 32.23 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.192 1.397 . . . . 75.24 109.243 -177.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.2 t -110.91 141.47 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.146 1.379 . . . . 55.31 108.549 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.79 135.74 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.076 -1.824 . . . . 72.32 106.076 165.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -123.64 143.52 50.19 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.383 1.073 . . . . 73.31 108.705 165.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -144.59 113.66 6.9 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.811 1.245 . . . . 52.35 109.922 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -79.79 152.24 29.88 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 125.317 1.636 . . . . 44.03 110.409 161.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -163.5 163.34 24.76 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.122 1.369 . . . . 73.04 109.431 161.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -127.16 122.59 34.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.405 -1.332 . . . . 74.33 107.405 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.66 125.83 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 124.096 0.873 . . . . 74.41 110.975 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.07 -11.01 58.68 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-O 117.985 -1.453 . . . . 74.31 111.954 -171.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -119.19 158.19 26.46 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.614 1.707 . . . . 65.44 111.112 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.4 125.26 30.84 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.61 1.194 . . . . 71.35 110.585 169.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.7 m -134.93 154.06 51.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.68 1.592 . . . . 73.13 108.495 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.63 113.32 25.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.368 0.667 . . . . 74.34 111.027 -177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.24 132.9 36.99 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.279 1.432 . . . . 65.33 109.948 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.24 139.8 30.25 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.174 1.39 . . . . 64.43 109.644 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.9 p -100.81 175.12 5.74 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.001 1.321 . . . . 65.2 111.53 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.7 mtt -67.39 -26.49 66.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.69 1.196 . . . . 72.21 114.116 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -78.91 -16.48 56.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.553 1.141 . . . . 54.03 112.891 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.81 5.57 61.15 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.757 -1.024 . . . . 72.11 112.718 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.27 154.25 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.967 1.307 . . . . 51.14 110.855 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -126.21 129.2 48.5 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.218 1.007 . . . . 73.24 108.842 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.3 m -144.49 134.45 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.737 1.215 . . . . 52.22 111.19 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -71.45 143.55 50.03 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.068 1.347 . . . . 64.23 113.03 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -171.49 147.65 2.41 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.071 1.482 . . . . 74.41 110.898 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -77.11 140.05 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.011 . . . . 71.31 110.228 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.52 142.96 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.477 1.11 . . . . 75.24 108.699 170.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -120.2 157.8 28.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.129 1.772 . . . . 72.33 109.01 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -133.96 132.57 40.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.712 1.205 . . . . 74.15 108.991 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -94.43 -171.15 2.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.534 1.534 . . . . 65.14 110.334 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.98 -27.51 33.94 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 119.03 -0.872 . . . . 74.23 112.918 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -91.59 29.38 1.52 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.491 1.517 . . . . 70.11 111.94 -170.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.01 42.89 9.51 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.102 1.761 . . . . 53.43 111.3 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -117.46 121.4 40.94 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.951 0.901 . . . . 75.42 109.588 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.78 149.47 25.72 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.101 0.876 . . . . 64.04 109.277 163.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.6 t -141.79 130.92 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.566 1.166 . . . . 62.55 108.103 172.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 t -160.79 171.6 18.52 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.498 1.519 . . . . 74.54 109.863 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 p -141.54 139.78 33.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.494 1.518 . . . . 73.45 109.346 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -149.77 122.0 8.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.009 0.924 . . . . 64.14 108.659 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.27 42.23 28.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.855 1.662 . . . . 73.3 114.411 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.9 t30 73.17 -3.14 2.52 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.176 1.79 . . . . 72.01 113.789 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.8 mt -91.2 97.72 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.742 -1.207 . . . . 73.41 107.742 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.28 133.14 52.17 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.916 0.886 . . . . 61.23 109.402 164.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 p -135.47 111.6 9.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.513 1.133 . . . . 34.33 109.341 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.88 132.26 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 O-C-N 125.393 1.683 . . . . 74.23 107.315 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.4 m -115.6 150.58 36.44 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.96 -1.126 . . . . 45.21 107.96 167.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -142.64 133.78 25.96 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.881 0.738 . . . . 63.03 110.467 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 141.21 30.73 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.263 1.825 . . . . 52.4 108.275 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -140.66 74.28 1.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.648 -1.242 . . . . 62.45 107.648 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.38 -92.55 0.5 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.143 1.354 . . . . 44.23 110.603 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 4.19 21.86 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.643 1.977 . . . . 73.33 111.917 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.0 mm -117.87 142.65 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.173 1.389 . . . . 74.42 108.245 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.8 mm -124.36 128.59 73.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.416 1.086 . . . . 74.32 108.893 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.4 m -114.26 148.69 37.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.387 . . . . 74.24 108.941 172.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -131.24 150.42 52.15 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.206 1.402 . . . . 72.21 108.365 163.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.5 m -138.66 112.73 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.563 1.545 . . . . 72.14 107.054 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 38.0 mmm -115.42 89.2 3.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.199 1.4 . . . . 62.25 108.329 -173.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -81.99 119.23 23.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.588 1.555 . . . . 72.1 111.334 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -120.3 77.5 1.27 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.759 1.223 . . . . 64.34 107.992 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.89 -112.59 4.95 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.946 1.26 . . . . 74.52 110.332 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.47 -12.6 61.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.455 1.902 . . . . 65.24 113.559 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.69 140.77 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.624 1.17 . . . . 63.52 108.827 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.27 85.69 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.521 -0.918 . . . . 43.32 108.521 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -70.11 145.5 51.54 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.199 0.6 . . . . 72.25 110.536 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -146.01 149.21 33.71 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 107.567 -1.271 . . . . 73.41 107.567 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -146.61 146.14 30.32 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.296 1.438 . . . . 63.42 109.139 -170.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.97 133.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.434 1.493 . . . . 61.45 107.495 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.8 m -136.92 156.23 48.73 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.073 1.749 . . . . 34.43 108.941 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -139.07 141.03 38.21 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.612 1.165 . . . . 71.15 109.144 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.93 137.46 58.03 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.341 1.026 . . . . 73.33 113.409 -170.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 125.392 2.52 . . . . 70.3 107.804 178.213 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.195 -1.039 . . . . 73.21 108.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 41' ' ' ILE . 78.7 m-85 -61.04 -23.37 65.38 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.253 1.575 . . . . 74.3 115.253 -174.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -51.68 124.37 12.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.734 2.014 . . . . 73.43 114.392 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.97 173.11 16.92 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.563 1.078 . . . . 62.3 110.443 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -96.15 142.93 27.74 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.092 1.357 . . . . 72.05 111.595 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -143.47 115.17 8.17 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.204 1.402 . . . . 73.55 108.243 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -72.78 144.06 47.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.738 -0.648 . . . . 63.23 110.567 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.0 125.67 24.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.128 1.371 . . . . 73.22 110.659 170.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.15 -39.92 5.12 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.697 1.248 . . . . 70.53 110.748 -171.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -165.27 163.58 20.05 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.921 1.289 . . . . 65.41 109.484 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.86 158.35 34.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.954 1.302 . . . . 74.31 110.489 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -149.84 134.62 17.71 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.628 1.171 . . . . 45.34 109.147 -171.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 60.45 30.99 20.21 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.11 2.164 . . . . 73.35 112.573 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.3 -52.68 64.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.768 1.227 . . . . 63.43 112.421 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.6 -38.97 92.26 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.455 1.097 . . . . 73.44 113.501 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.03 89.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.613 1.165 . . . . 65.25 112.714 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -73.62 -43.78 58.74 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.419 1.087 . . . . 65.33 113.518 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.494 ' SD ' HD22 ' A' ' 24' ' ' LEU . 4.9 tpp -67.43 -23.69 65.56 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 65.41 112.354 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -80.39 -41.46 24.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.971 0.908 . . . . 62.15 111.381 168.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.604 1.335 . . . . 42.34 114.604 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.525 HD12 HD13 ' A' ' 24' ' ' LEU . 37.5 pt -76.83 -19.54 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.316 1.046 . . . . 75.12 113.509 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 23.3 15.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 117.942 -1.477 . . . . 70.33 113.5 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 HD12 ' A' ' 22' ' ' ILE . 4.0 mp -76.02 144.32 75.51 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 120.069 1.934 . . . . 73.21 109.699 168.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.29 138.41 55.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.856 2.371 . . . . 71.41 112.217 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.0 -20.22 65.74 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.059 1.503 . . . . 74.13 115.059 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.64 -49.81 76.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.644 1.178 . . . . 65.14 112.278 165.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.46 -16.48 62.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.506 1.522 . . . . 72.24 113.404 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -76.98 -50.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.024 0.929 . . . . 71.25 110.64 169.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -63.88 -32.07 73.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.802 1.038 . . . . 72.51 113.802 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -83.29 -41.67 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 74.44 111.894 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.26 -24.81 76.57 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-O 118.662 -1.076 . . . . 50.4 113.44 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -75.15 -29.55 60.51 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.669 1.235 . . . . 75.03 112.117 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.11 -45.68 32.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.953 1.701 . . . . 72.31 111.313 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 10.9 mm -64.53 109.01 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.095 1.358 . . . . 62.22 110.876 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -72.21 102.81 3.16 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.703 1.201 . . . . 74.41 109.776 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.55 179.12 53.31 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.977 1.423 . . . . 45.33 112.284 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.6 t -136.06 144.9 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.504 1.521 . . . . 70.34 109.145 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -115.67 149.48 38.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.374 1.47 . . . . 54.13 108.911 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -136.41 121.0 18.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.776 -1.564 . . . . 74.12 106.776 168.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 3' ' ' PHE . 44.6 mt -112.51 147.73 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.778 -1.193 . . . . 75.4 107.778 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.43 141.56 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 107.537 -1.283 . . . . 72.01 107.537 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -123.17 124.27 42.66 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.446 1.099 . . . . 74.4 108.603 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -129.82 59.77 1.61 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.477 1.911 . . . . 74.22 108.356 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.75 -121.11 6.59 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 108.726 -1.75 . . . . 72.11 108.726 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -27.97 61.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.453 1.101 . . . . 73.11 112.76 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -75.16 144.46 42.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.349 0.66 . . . . 54.34 110.854 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.31 159.45 40.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.575 1.95 . . . . 75.23 109.733 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -138.08 138.02 38.33 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.463 1.102 . . . . 74.12 108.081 168.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.0 96.34 4.32 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.384 1.474 . . . . 74.03 109.346 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -88.61 136.8 32.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.331 1.02 . . . . 73.11 109.486 170.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.1 mt -137.21 133.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.258 -1.386 . . . . 71.24 107.258 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.6 m -126.44 124.38 40.01 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.08 1.352 . . . . 74.21 108.909 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.05 137.04 1.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.773 1.229 . . . . 71.34 109.375 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 75.28 31.94 56.4 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.867 -0.963 . . . . 72.42 112.816 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.5 m 67.72 22.69 8.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.906 2.082 . . . . 74.02 114.346 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 159.99 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.625 1.57 . . . . 75.24 109.451 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.84 136.72 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 124.643 1.215 . . . . 55.31 109.384 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 146.96 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 126.355 1.862 . . . . 72.32 107.952 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -136.79 127.52 27.19 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.176 0.99 . . . . 73.31 110.41 164.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -122.29 93.02 3.85 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.39 1.476 . . . . 52.35 109.592 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -67.92 136.71 54.42 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 124.152 0.907 . . . . 44.03 109.806 157.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -160.08 155.36 25.09 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.281 1.032 . . . . 73.04 109.492 167.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -121.62 127.1 50.49 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.936 -1.135 . . . . 74.33 107.936 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.67 130.93 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.05 0.844 . . . . 74.41 111.094 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.47 -6.91 82.93 Favored Glycine 0 CA--C 1.542 1.728 0 CA-C-O 118.142 -1.366 . . . . 74.31 112.856 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -119.78 162.95 18.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.375 1.588 . . . . 65.44 110.249 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.77 141.45 32.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.976 0.911 . . . . 71.35 110.43 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.75 155.63 37.56 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.086 1.754 . . . . 73.13 108.716 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -85.65 122.14 29.33 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.684 0.615 . . . . 74.34 111.465 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.52 110.74 22.16 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 124.649 1.218 . . . . 65.33 109.239 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.17 102.93 0.43 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.353 1.861 . . . . 64.43 110.357 164.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 p -73.3 174.4 8.14 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.649 1.179 . . . . 65.2 111.636 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.6 mmt -60.77 -26.48 67.28 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.337 1.606 . . . . 72.21 115.337 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -81.51 -13.44 58.12 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.01 1.324 . . . . 54.03 113.25 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.81 -9.85 62.15 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.414 1.483 . . . . 72.11 111.902 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.28 131.63 46.98 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 118.93 1.365 . . . . 51.14 110.944 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.61 140.72 34.48 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.245 0.965 . . . . 73.24 109.885 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.69 138.07 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.984 0.914 . . . . 52.22 110.689 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -64.3 139.8 58.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.829 1.652 . . . . 64.23 113.036 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -170.08 152.63 4.34 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.763 1.289 . . . . 74.41 110.916 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.71 136.75 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.796 1.238 . . . . 71.31 108.948 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 91' ' ' LEU . 45.5 t -110.89 143.76 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.757 1.223 . . . . 75.24 109.174 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 145.36 51.41 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.317 1.047 . . . . 72.33 110.721 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.46 130.26 56.66 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.331 1.453 . . . . 74.15 109.989 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -94.12 160.34 14.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.015 1.326 . . . . 65.14 109.939 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.31 -4.18 42.66 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 124.963 1.268 . . . . 74.23 114.54 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -107.3 37.44 2.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.474 1.91 . . . . 70.11 111.947 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.95 29.23 10.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.942 1.697 . . . . 53.43 113.334 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -127.62 119.44 25.91 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.219 0.608 . . . . 75.42 111.568 -166.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 83' ' ' VAL . 4.0 mm? -82.79 150.03 26.86 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.699 1.25 . . . . 64.04 110.094 166.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.3 t -134.25 126.65 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.02 -1.474 . . . . 62.55 107.02 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.1 t -148.21 153.23 38.48 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.408 1.483 . . . . 74.54 109.867 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.8 m -137.68 131.34 31.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.453 0.701 . . . . 73.45 110.731 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.0 127.79 11.73 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.134 0.974 . . . . 64.14 110.132 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 50.0 45.68 25.05 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.838 1.655 . . . . 73.3 114.594 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 75.39 2.62 3.88 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.147 1.779 . . . . 72.01 113.999 -176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mt -103.53 102.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.994 1.318 . . . . 73.41 108.809 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -83.3 108.58 16.6 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.65 0.78 . . . . 61.23 109.542 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 t -99.36 142.41 30.88 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.503 1.521 . . . . 34.33 110.829 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.56 121.84 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.051 1.34 . . . . 74.23 107.628 174.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.1 m -99.52 152.7 19.71 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.502 1.126 . . . . 45.21 109.259 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -138.94 131.09 28.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.829 1.652 . . . . 63.03 107.327 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.62 136.36 35.01 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.52 -1.289 . . . . 52.4 107.52 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.5 72.92 1.33 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.591 -0.892 . . . . 62.45 108.591 -176.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.69 -118.55 6.59 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 108.627 -1.789 . . . . 44.23 108.627 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.92 5.98 37.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.782 1.633 . . . . 73.33 112.83 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.5 mm -112.31 149.29 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.361 1.464 . . . . 74.42 108.727 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.1 mm -126.15 134.23 66.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.502 1.121 . . . . 74.32 108.34 167.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.8 m -111.19 140.63 45.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.645 -0.872 . . . . 74.24 108.645 166.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -133.82 108.4 8.44 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.466 1.507 . . . . 72.21 108.344 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -104.9 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.297 1.439 . . . . 72.14 109.491 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 48.9 mtt -135.87 161.17 36.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.852 1.661 . . . . 62.25 109.63 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 94.3 m -149.16 108.43 3.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.603 0.761 . . . . 72.1 110.367 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -117.3 102.4 9.22 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.096 1.758 . . . . 64.34 109.436 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.47 -111.32 3.6 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.091 -1.603 . . . . 74.52 109.091 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -106.23 3.94 28.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.863 1.665 . . . . 65.24 113.407 168.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.9 mm -93.99 90.72 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 109.158 -0.682 . . . . 63.52 109.158 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -74.73 131.12 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.313 -0.995 . . . . 43.32 108.313 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -118.74 148.9 42.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.372 1.869 . . . . 72.25 108.488 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 tmmt? -148.77 141.22 24.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.765 0.666 . . . . 73.41 109.812 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -138.11 150.16 46.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.322 1.849 . . . . 63.42 108.583 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.37 135.74 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.749 -1.574 . . . . 61.45 106.749 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.2 m -127.14 157.67 39.11 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.967 1.707 . . . . 34.43 109.039 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -144.05 145.34 32.12 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.884 0.874 . . . . 71.15 109.823 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -55.84 139.17 46.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.52 1.928 . . . . 73.33 113.699 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 105.533 -2.025 . . . . 70.3 105.533 177.349 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.065 -0.346 . . . . 73.21 110.065 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -63.85 -20.95 66.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.726 1.21 . . . . 74.3 113.662 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.7 p -50.03 110.13 0.36 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.587 2.355 . . . . 73.43 113.925 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.24 170.46 24.85 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.399 -1.08 . . . . 62.3 110.399 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -109.19 141.93 40.73 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.392 1.477 . . . . 72.05 109.414 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -136.29 162.59 32.56 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.939 1.696 . . . . 73.55 109.988 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -137.74 142.93 40.98 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.651 0.78 . . . . 63.23 109.915 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.17 117.99 2.94 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.684 2.794 . . . . 73.22 112.256 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -94.88 -44.08 7.9 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 125.064 1.478 . . . . 70.53 110.517 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -164.57 160.08 19.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.643 1.177 . . . . 65.41 110.704 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.62 147.47 17.17 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.39 1.076 . . . . 74.31 110.947 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.9 140.14 50.14 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.149 1.78 . . . . 45.34 108.384 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 57.78 37.96 27.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.24 1.816 . . . . 73.35 113.03 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.2 -52.52 64.96 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.122 0.969 . . . . 63.43 113.329 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.42 -30.93 71.4 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.682 1.239 . . . . 73.44 113.199 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.83 82.34 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.489 1.116 . . . . 65.25 112.601 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -75.81 -43.46 46.03 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.633 1.173 . . . . 65.33 113.466 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -26.96 66.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.537 1.135 . . . . 65.41 112.661 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -74.77 -43.27 55.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.154 1.381 . . . . 62.15 112.101 168.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.96 79.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 42.34 114.581 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.432 HD12 HD13 ' A' ' 24' ' ' LEU . 45.5 pt -72.22 -23.48 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-O 118.059 -0.972 . . . . 75.12 113.601 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 21.77 15.44 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 118.171 -1.349 . . . . 70.33 112.952 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 22' ' ' ILE . 1.8 mp -71.22 141.69 86.39 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 119.481 1.64 . . . . 73.21 109.361 167.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -64.6 142.19 76.43 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.269 1.98 . . . . 71.41 111.872 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.14 -24.7 56.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 74.13 114.749 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.46 -48.59 80.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.411 1.484 . . . . 65.14 112.394 170.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.0 -15.57 60.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 72.24 113.684 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.74 -52.75 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.366 0.666 . . . . 71.25 109.748 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -67.42 -27.81 67.37 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.347 1.24 . . . . 72.51 114.347 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -82.02 -47.17 12.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.004 0.922 . . . . 74.44 111.737 172.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.21 -20.42 79.65 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.403 -1.221 . . . . 50.4 114.301 -170.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -65.68 -31.5 72.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.873 1.336 . . . . 75.03 113.593 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -91.03 -19.52 23.1 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.697 1.599 . . . . 72.31 111.871 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.84 142.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.55 1.54 . . . . 62.22 111.994 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -77.62 67.05 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.783 1.633 . . . . 74.41 109.331 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.63 138.86 48.85 Favored Glycine 0 C--N 1.347 1.186 0 C-N-CA 125.806 1.67 . . . . 45.33 111.261 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.54 143.72 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.776 0.83 . . . . 70.34 109.191 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -124.01 154.4 39.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.638 1.175 . . . . 54.13 108.974 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -141.45 141.29 33.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.048 -2.205 . . . . 74.12 105.048 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mt -133.63 139.62 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 107.034 -1.469 . . . . 75.4 107.034 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.32 139.66 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.013 -1.476 . . . . 72.01 107.013 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.02 111.85 17.08 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.808 -1.182 . . . . 74.4 107.808 172.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -119.64 68.55 0.82 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.297 1.839 . . . . 74.22 107.935 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.7 -122.42 8.38 Favored Glycine 0 CA--C 1.533 1.166 0 N-CA-C 109.337 -1.505 . . . . 72.11 109.337 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -71.11 -32.26 68.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 73.11 112.47 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -72.95 140.07 47.18 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.058 0.849 . . . . 54.34 110.61 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -125.73 153.65 43.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.776 1.63 . . . . 75.23 109.05 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -129.43 147.68 51.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.524 1.14 . . . . 74.12 108.062 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -119.24 150.01 40.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 124.771 1.294 . . . . 74.03 108.359 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -129.15 136.04 49.65 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.429 -1.693 . . . . 73.11 106.429 163.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.69 110.52 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.102 -1.444 . . . . 71.24 107.102 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -105.46 137.51 43.16 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.295 1.438 . . . . 74.21 109.946 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.05 -163.65 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.226 1.41 . . . . 71.34 110.18 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.03 -19.71 51.74 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.998 1.761 . . . . 72.42 116.312 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.0 p -163.12 22.7 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.867 1.333 . . . . 74.02 112.711 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 157.61 39.99 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.496 0.718 . . . . 75.24 111.371 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.11 129.69 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 125.18 1.392 . . . . 55.31 108.312 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mt -105.84 146.84 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 126.02 1.728 . . . . 72.32 107.049 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -137.13 141.56 42.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.654 0.782 . . . . 73.31 110.721 165.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -128.5 95.12 4.04 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.886 1.275 . . . . 52.35 108.864 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -73.23 131.92 42.55 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.103 0.877 . . . . 44.03 108.978 160.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.59 165.19 31.16 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.045 0.841 . . . . 73.04 110.839 171.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -129.73 133.0 46.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.467 1.107 . . . . 74.33 108.42 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 135.4 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 123.851 0.72 . . . . 74.41 111.932 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.96 7.45 88.51 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.918 1.247 . . . . 74.31 112.937 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.56 148.65 52.38 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.725 1.61 . . . . 65.44 109.846 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.2 127.3 32.17 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.836 0.71 . . . . 71.35 111.025 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.0 m -143.6 149.2 37.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.522 1.529 . . . . 73.13 109.268 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -80.96 113.63 19.3 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.18 0.592 . . . . 74.34 111.775 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.49 124.05 34.16 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.665 1.228 . . . . 65.33 108.496 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -77.31 129.66 36.15 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.654 1.221 . . . . 64.43 109.806 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 p -92.18 164.51 13.54 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.237 1.015 . . . . 65.2 110.424 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.9 mtt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 115.458 1.651 . . . . 72.21 115.458 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 p -77.53 -8.54 57.97 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.025 1.33 . . . . 54.03 114.229 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.57 15.81 57.8 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-O 118.769 -1.017 . . . . 72.11 112.25 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.59 160.18 26.52 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.609 1.205 . . . . 51.14 110.032 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -132.67 137.5 46.98 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.779 0.832 . . . . 73.24 109.358 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.2 m -145.52 138.27 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 124.288 0.993 . . . . 52.22 111.401 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.24 134.27 44.24 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.216 1.806 . . . . 64.23 111.259 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -165.93 151.6 8.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.094 0.957 . . . . 74.41 111.167 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -98.61 122.2 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.453 1.101 . . . . 71.31 109.33 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.43 146.34 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 124.275 0.985 . . . . 75.24 108.841 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -124.73 155.09 39.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.56 1.144 . . . . 72.33 109.501 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 tt -122.56 125.76 46.36 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.445 1.091 . . . . 74.15 109.339 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -90.1 156.04 18.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.882 1.673 . . . . 65.14 109.041 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.87 3.63 9.27 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.955 1.264 . . . . 74.23 114.823 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -107.73 27.25 9.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.835 2.054 . . . . 70.11 112.344 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.91 27.36 2.14 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.643 1.977 . . . . 53.43 112.779 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -126.2 120.54 30.31 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.429 0.691 . . . . 75.42 112.535 -162.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -90.75 141.28 28.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.216 1.406 . . . . 64.04 109.509 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.49 135.43 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.933 1.293 . . . . 62.55 109.347 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -160.69 171.99 17.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.921 1.288 . . . . 74.54 111.299 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.3 p -139.43 143.57 37.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.315 1.846 . . . . 73.45 108.58 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -155.01 116.31 4.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.133 0.973 . . . . 64.14 109.611 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 56.74 38.46 29.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.591 1.556 . . . . 73.3 113.53 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.72 1.58 3.46 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.528 1.931 . . . . 72.01 114.237 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.16 89.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 107.461 -1.311 . . . . 73.41 107.461 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.63 136.51 56.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.115 1.766 . . . . 61.23 108.857 165.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -140.32 129.65 23.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.082 0.953 . . . . 34.33 108.57 -173.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.17 128.05 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.356 -1.72 . . . . 74.23 106.356 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 m -120.47 125.73 48.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.901 -1.148 . . . . 45.21 107.901 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -121.74 121.19 36.72 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.446 1.091 . . . . 63.03 109.952 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 tp -83.25 127.49 33.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.824 1.25 . . . . 52.4 109.173 168.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -127.92 80.66 1.97 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.064 -1.458 . . . . 62.45 107.064 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.97 -100.71 0.72 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.496 1.046 . . . . 44.23 110.564 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.69 -4.7 40.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.909 1.684 . . . . 73.33 112.407 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.83 143.84 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.814 1.246 . . . . 74.42 109.022 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -120.25 109.12 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.668 1.187 . . . . 74.32 108.015 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -90.1 137.21 32.53 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.291 0.994 . . . . 74.24 108.433 168.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -125.85 137.36 53.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.43 1.492 . . . . 72.21 107.549 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.3 m -130.43 117.41 19.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.597 -1.631 . . . . 72.14 106.597 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.2 mmm -114.44 136.96 52.43 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.588 -1.264 . . . . 62.25 107.588 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.3 m -134.33 118.89 18.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.23 0.612 . . . . 72.1 109.639 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -120.5 99.35 6.5 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.171 -1.788 . . . . 64.34 106.171 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.61 -123.67 22.91 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 109.386 -1.486 . . . . 74.52 109.386 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.88 -19.45 40.88 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.674 1.19 . . . . 65.24 112.436 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.17 98.92 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.556 0.743 . . . . 63.52 110.305 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.17 107.3 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 124.541 1.15 . . . . 43.32 108.239 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -91.43 134.03 34.97 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 72.25 108.767 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -121.18 143.16 49.27 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.292 -1.373 . . . . 73.41 107.292 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.37 136.62 28.04 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.417 1.887 . . . . 63.42 107.65 -173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.66 130.0 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.034 -1.469 . . . . 61.45 107.034 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.1 m -133.12 154.85 50.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.606 1.562 . . . . 34.43 108.879 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -141.94 147.19 36.62 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.082 0.953 . . . . 71.15 109.744 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -56.54 134.34 54.14 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.655 1.982 . . . . 73.33 114.218 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 104.157 -2.534 . . . . 70.3 104.157 174.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 108.743 -0.836 . . . . 73.21 108.743 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.21 -17.91 59.6 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.272 1.212 . . . . 74.3 114.272 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -56.78 141.85 42.85 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.947 1.699 . . . . 73.43 114.775 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.61 171.76 12.98 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.109 1.338 . . . . 62.3 110.889 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -81.48 141.92 33.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.467 1.507 . . . . 72.05 110.637 171.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -141.15 112.57 7.47 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.021 1.328 . . . . 73.55 107.849 173.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 127' ' ' ILE . 10.0 tt0 -63.19 143.63 57.62 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 118.729 -0.653 . . . . 63.23 109.812 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tt -72.28 129.71 39.06 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.036 0.835 . . . . 73.22 109.621 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -96.27 -55.24 3.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 124.166 0.916 . . . . 70.53 110.606 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -161.04 162.33 31.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.683 1.193 . . . . 65.41 110.716 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -155.8 139.65 16.22 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 124.349 1.031 . . . . 74.31 111.633 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.7 143.82 45.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.466 1.906 . . . . 45.34 109.78 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.28 33.55 22.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.217 2.207 . . . . 73.35 112.28 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.36 -48.42 75.6 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.564 1.146 . . . . 63.43 112.756 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -62.29 -41.3 98.37 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.366 1.467 . . . . 73.44 111.742 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.53 84.24 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.555 1.542 . . . . 65.25 113.155 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.56 -42.05 53.22 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.759 1.224 . . . . 65.33 113.594 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.7 64.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.295 1.038 . . . . 65.41 112.214 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -75.84 -38.98 57.49 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.995 1.318 . . . . 62.15 112.094 169.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.89 71.97 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.415 1.265 . . . . 42.34 114.415 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 HD13 ' A' ' 24' ' ' LEU . 41.9 pt -76.02 -22.21 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 113.363 0.875 . . . . 75.12 113.363 172.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 23.98 13.49 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.185 -1.342 . . . . 70.33 113.141 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 22' ' ' ILE . 2.7 mp -69.95 143.88 92.36 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.633 1.716 . . . . 73.21 109.386 166.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -64.78 137.98 56.21 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.423 2.082 . . . . 71.41 111.89 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -51.28 -31.73 22.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.59 1.556 . . . . 74.13 114.479 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.61 -49.63 75.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.037 1.335 . . . . 65.14 112.08 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.38 -17.17 60.85 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.801 1.241 . . . . 72.24 114.182 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.6 mt -72.89 -54.96 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.831 0.741 . . . . 71.25 109.886 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -69.7 -25.21 63.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.008 1.114 . . . . 72.51 114.008 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -83.56 -38.14 22.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.386 1.074 . . . . 74.44 111.98 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.32 -22.91 61.82 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 118.342 -1.254 . . . . 50.4 113.749 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -62.56 -34.35 76.77 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.915 1.358 . . . . 75.03 113.633 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.04 -20.7 37.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.968 1.707 . . . . 72.31 112.98 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -90.97 98.4 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.208 1.003 . . . . 62.22 108.947 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -77.88 105.36 9.02 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.605 -0.887 . . . . 74.41 108.605 169.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.36 -152.54 20.94 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.517 1.136 . . . . 45.33 111.221 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.9 t -137.56 144.71 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.608 . . . . 70.34 108.978 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -112.04 150.25 30.91 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.394 1.478 . . . . 54.13 108.435 167.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -145.98 121.11 10.12 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.417 -0.957 . . . . 74.12 108.417 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mt -117.51 150.14 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 124.52 1.138 . . . . 75.4 108.319 -168.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.14 95.82 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 108.962 -0.755 . . . . 72.01 108.962 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -75.23 132.1 40.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.256 0.622 . . . . 74.4 110.116 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -132.99 66.13 1.57 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.283 2.233 . . . . 74.22 107.234 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.37 -105.2 1.37 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.259 -1.536 . . . . 72.11 109.259 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -31.69 54.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.641 1.176 . . . . 73.11 112.944 175.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -78.83 152.08 31.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.681 0.673 . . . . 54.34 111.814 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -144.77 124.36 13.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.973 2.109 . . . . 75.23 108.6 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -100.4 143.93 30.0 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.12 108.089 165.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -136.26 108.38 7.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.488 1.515 . . . . 74.03 109.339 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -101.81 139.92 36.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.491 1.116 . . . . 73.11 108.696 169.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.33 119.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.123 -1.436 . . . . 71.24 107.123 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -124.24 109.18 13.08 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.392 1.077 . . . . 74.21 108.972 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.41 134.75 9.36 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.902 0.881 . . . . 71.34 110.233 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 20.98 58.78 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 118.56 -1.133 . . . . 72.42 112.86 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t 69.73 39.67 1.46 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.912 2.085 . . . . 74.02 112.648 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 153.8 39.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.771 1.628 . . . . 75.24 108.491 172.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.33 137.12 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 124.677 1.235 . . . . 55.31 109.008 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.94 141.82 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 127.09 2.156 . . . . 72.32 106.747 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -139.41 137.7 35.88 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.854 0.861 . . . . 73.31 111.121 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -136.32 141.79 43.82 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.627 1.971 . . . . 52.35 108.78 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -131.84 138.87 48.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.623 1.569 . . . . 44.03 107.838 169.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -160.34 153.35 21.56 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.267 1.027 . . . . 73.04 111.305 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -112.24 122.69 48.44 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.903 -1.147 . . . . 74.33 107.903 172.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.94 131.74 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 123.898 0.749 . . . . 74.41 111.962 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -14.91 64.42 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.357 1.456 . . . . 74.31 112.41 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -118.43 160.37 21.83 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.073 1.436 . . . . 65.44 110.618 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.34 137.9 46.94 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.885 0.741 . . . . 71.35 110.628 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.05 -176.79 5.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 73.13 107.899 167.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -125.57 112.21 15.93 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.357 -0.979 . . . . 74.34 108.357 -170.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.29 128.46 35.48 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 124.547 1.155 . . . . 65.33 110.412 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.7 148.41 40.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.625 1.97 . . . . 64.43 110.021 164.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.1 p -117.89 175.24 5.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.469 1.108 . . . . 65.2 110.655 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.0 mmt -61.55 -31.98 72.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.161 1.784 . . . . 72.21 113.737 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.7 p -83.53 -7.0 59.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.487 1.515 . . . . 54.03 112.835 171.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.68 65.06 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.443 1.497 . . . . 72.11 112.757 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.21 126.21 26.57 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.104 1.452 . . . . 51.14 111.397 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -96.3 142.76 28.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.413 1.071 . . . . 73.24 110.721 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.05 139.65 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.74 1.216 . . . . 52.22 110.552 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.4 141.78 45.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.866 1.267 . . . . 64.23 112.259 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -173.62 164.38 4.44 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.291 1.436 . . . . 74.41 110.701 -173.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.01 143.31 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.129 1.372 . . . . 71.31 108.788 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.88 146.41 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.476 -0.935 . . . . 75.24 108.476 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -129.01 142.46 50.91 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.587 1.155 . . . . 72.33 109.742 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.4 tp -111.76 130.25 55.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.88 1.272 . . . . 74.15 109.549 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.4 168.17 11.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.167 1.787 . . . . 65.14 110.737 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.9 15.71 19.46 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.992 1.282 . . . . 74.23 113.96 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -135.75 39.71 2.79 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.033 1.416 . . . . 70.11 109.496 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.54 21.27 11.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.07 1.748 . . . . 53.43 113.788 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -115.45 129.82 56.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.227 1.011 . . . . 75.42 111.13 -168.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.4 mt -98.58 152.49 19.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.36 1.064 . . . . 64.04 109.567 167.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.55 139.45 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.848 1.259 . . . . 62.55 109.083 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -157.22 -173.2 4.32 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.784 1.634 . . . . 74.54 110.349 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 p -150.63 143.25 24.48 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.687 1.995 . . . . 73.45 108.406 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -160.03 124.82 3.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.994 0.918 . . . . 64.14 109.832 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? 54.76 40.3 31.85 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.994 1.717 . . . . 73.3 113.646 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t30 72.99 -2.41 2.73 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.202 2.201 . . . . 72.01 114.169 -173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.7 mt -83.37 97.41 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.399 1.079 . . . . 73.41 108.488 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -65.28 112.6 3.54 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.702 1.601 . . . . 61.23 108.976 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 p -120.58 125.72 48.5 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 124.342 1.026 . . . . 34.33 110.123 -166.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -133.78 133.9 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.75 1.62 . . . . 74.23 107.888 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 m -128.23 154.73 45.53 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.857 1.263 . . . . 45.21 109.322 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -146.61 123.64 11.41 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.062 0.945 . . . . 63.03 110.08 174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.0 tp -80.74 140.84 35.33 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.375 1.047 . . . . 52.4 109.176 161.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.19 76.99 1.47 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.269 -1.011 . . . . 62.45 108.269 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.44 -94.22 1.04 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.141 -1.583 . . . . 44.23 109.141 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -116.12 1.63 13.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.845 2.058 . . . . 73.33 112.839 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -102.17 144.99 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.216 1.006 . . . . 74.42 108.299 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.3 mm -121.19 115.87 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 107.924 -1.139 . . . . 74.32 107.924 169.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -93.02 144.49 25.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.962 0.905 . . . . 74.24 108.713 168.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -131.41 148.97 52.71 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.962 1.305 . . . . 72.21 108.303 165.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.2 m -141.55 125.38 17.03 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.213 1.405 . . . . 72.14 107.875 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.5 mmt -120.95 113.46 20.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.042 1.337 . . . . 62.25 108.165 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.2 m -110.7 106.29 15.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.29 1.036 . . . . 72.1 109.461 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -110.63 88.88 2.88 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.452 1.501 . . . . 64.34 108.266 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.8 -113.6 5.75 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 124.535 1.147 . . . . 74.52 110.771 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.46 0.78 28.06 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.365 2.266 . . . . 65.24 114.595 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 27.6 mm -109.76 141.51 24.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.593 1.157 . . . . 63.52 109.336 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.66 83.91 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.399 1.08 . . . . 43.32 108.701 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -72.86 142.65 47.96 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.816 1.246 . . . . 72.25 110.293 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -147.0 137.16 23.41 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.047 0.842 . . . . 73.41 108.84 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -129.84 153.93 47.77 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.306 1.442 . . . . 63.42 111.543 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.95 137.26 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.717 1.607 . . . . 61.45 107.327 170.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 m -136.65 154.35 50.66 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.384 1.874 . . . . 34.43 108.824 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -143.64 135.66 26.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.998 0.919 . . . . 71.15 109.312 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.62 131.09 47.86 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.448 1.499 . . . . 73.33 113.542 -173.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 8' ' ' GLN . 17.8 pt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 124.97 2.319 . . . . 70.3 107.066 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 109.643 -0.503 . . . . 73.21 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -63.71 -21.04 66.19 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.272 1.582 . . . . 74.3 115.272 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.5 p -59.85 133.3 55.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.595 1.558 . . . . 73.43 114.004 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.24 -175.15 31.8 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 109.841 -1.304 . . . . 62.3 109.841 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.6 139.34 53.96 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.452 1.501 . . . . 72.05 109.057 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -143.88 123.64 13.4 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.264 1.426 . . . . 73.55 110.054 -167.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.45 139.97 34.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.7 0.682 . . . . 63.23 109.347 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.11 124.83 21.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.346 1.858 . . . . 73.22 110.81 168.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -95.7 -44.58 7.39 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.289 1.436 . . . . 70.53 111.047 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -160.87 162.84 32.28 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.853 1.261 . . . . 65.41 110.952 -171.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -154.17 152.75 30.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.748 1.219 . . . . 74.31 110.567 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -136.28 143.39 44.19 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.349 1.46 . . . . 45.34 110.537 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 58.64 31.33 20.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.456 2.303 . . . . 73.35 112.46 -173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.67 -48.68 80.7 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.948 1.699 . . . . 63.43 112.911 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.83 -32.8 69.96 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 124.462 1.101 . . . . 73.44 113.439 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.72 79.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.032 0.933 . . . . 65.25 112.838 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -78.26 -44.33 25.79 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.531 1.532 . . . . 65.33 113.351 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -25.6 62.34 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.38 1.05 . . . . 65.41 112.344 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -74.25 -39.34 63.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.479 1.112 . . . . 62.15 111.829 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.01 73.36 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.458 1.281 . . . . 42.34 114.458 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.8 pt -79.58 -12.66 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 N-CA-C 113.81 1.041 . . . . 75.12 113.81 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.17 22.75 36.96 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.295 -1.281 . . . . 70.33 113.072 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.64 138.97 85.98 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.343 1.572 . . . . 73.21 108.527 164.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -65.03 145.47 85.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.026 1.817 . . . . 71.41 111.977 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -50.85 -30.01 13.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.417 1.887 . . . . 74.13 114.55 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.8 -50.44 73.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.365 1.866 . . . . 65.14 112.888 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.0 -23.76 63.19 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.647 1.579 . . . . 72.24 112.947 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.9 mt -73.3 -51.41 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 123.925 0.89 . . . . 71.25 110.758 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -66.45 -24.81 66.49 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.318 1.229 . . . . 72.51 114.318 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -79.42 -50.46 10.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 74.44 111.823 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.38 -19.17 75.86 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.264 1.412 . . . . 50.4 114.381 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.79 -33.94 75.81 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.882 1.341 . . . . 75.03 112.982 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -85.8 -39.29 17.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.463 1.505 . . . . 72.31 110.395 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG21 ' H ' ' A' ' 55' ' ' GLY . 25.5 mm -66.15 105.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.508 1.123 . . . . 62.22 110.149 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 113.0 5.89 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.355 1.034 . . . . 74.41 109.136 168.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.03 171.44 48.27 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 124.169 0.918 . . . . 45.33 111.442 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.78 124.82 54.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.164 -1.421 . . . . 70.34 107.164 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -105.3 143.91 32.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.67 1.588 . . . . 54.13 108.614 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.28 133.34 31.11 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.682 -1.229 . . . . 74.12 107.682 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.08 147.76 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.605 1.191 . . . . 75.4 108.234 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.44 149.62 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.358 1.463 . . . . 72.01 107.502 173.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -135.53 98.35 3.92 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.404 1.082 . . . . 74.4 108.613 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -103.39 73.81 1.23 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.271 1.828 . . . . 74.22 108.232 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 -119.35 7.31 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 108.813 -1.715 . . . . 72.11 108.813 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.26 -25.04 46.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.225 1.01 . . . . 73.11 112.606 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.1 140.33 47.08 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.159 0.584 . . . . 54.34 111.267 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.56 141.57 51.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.209 1.804 . . . . 75.23 109.481 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -112.16 144.82 40.91 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.354 -1.35 . . . . 74.12 107.354 164.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -138.9 89.64 2.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.737 1.615 . . . . 74.03 107.614 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 79.1 m -85.27 128.66 34.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.946 0.898 . . . . 73.11 108.726 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.28 115.19 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.152 -1.055 . . . . 71.24 108.152 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -101.04 131.85 46.73 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.22 1.008 . . . . 74.21 108.952 171.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.53 137.88 0.66 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.468 1.507 . . . . 71.34 108.563 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 66.91 37.41 92.17 Favored Glycine 0 CA--C 1.539 1.579 0 O-C-N 124.115 0.885 . . . . 72.42 111.752 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m 75.67 -34.91 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.208 3.003 . . . . 74.02 114.981 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 162.2 24.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.869 1.268 . . . . 75.24 112.608 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -124.7 125.02 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 124.74 1.275 . . . . 55.31 109.385 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 mt -93.39 143.26 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.404 1.882 . . . . 72.32 107.344 168.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -135.4 93.08 2.92 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.801 0.84 . . . . 73.31 109.623 171.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -74.31 137.23 42.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.442 1.097 . . . . 52.35 109.923 168.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.42 126.53 29.73 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.794 1.638 . . . . 44.03 107.23 174.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -159.23 159.08 33.76 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 124.315 1.01 . . . . 73.04 112.017 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 m -120.72 124.3 44.81 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.697 1.199 . . . . 74.33 108.333 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.5 134.46 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 124.119 0.887 . . . . 74.41 111.738 -176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.33 -12.76 61.8 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.182 1.373 . . . . 74.31 112.497 -173.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -111.48 160.14 17.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.566 1.546 . . . . 65.44 109.938 173.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.2 131.69 36.28 Favored 'General case' 0 C--N 1.345 0.388 0 O-C-N 123.867 0.73 . . . . 71.35 109.703 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 m -143.21 175.28 10.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.14 1.776 . . . . 73.13 108.137 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -115.86 109.34 17.49 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.871 0.468 . . . . 74.34 110.363 -169.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.28 129.52 35.01 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.063 1.345 . . . . 65.33 110.744 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -70.99 153.36 42.7 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.089 1.493 . . . . 64.43 110.764 161.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -116.44 173.55 6.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.647 1.179 . . . . 65.2 111.002 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.5 mmm -58.97 -28.94 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.467 1.507 . . . . 72.21 114.075 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -90.31 -2.33 57.99 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.381 1.472 . . . . 54.03 113.433 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.04 19.74 66.61 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 119.163 -0.799 . . . . 72.11 112.469 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.25 164.64 15.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.654 1.581 . . . . 51.14 109.198 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -133.62 138.58 46.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.072 0.949 . . . . 73.24 110.722 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 143.55 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 52.22 110.964 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -79.73 140.29 37.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.979 1.312 . . . . 64.23 112.411 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.7 t -167.27 150.34 6.29 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.112 1.365 . . . . 74.41 111.288 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.16 109.81 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.303 1.041 . . . . 71.31 108.661 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -81.92 146.5 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 123.855 0.722 . . . . 75.24 109.662 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -120.31 159.61 24.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.404 1.482 . . . . 72.33 110.541 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.2 tt -136.53 129.21 30.59 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.119 1.368 . . . . 74.15 108.835 175.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.81 171.52 9.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.042 1.337 . . . . 65.14 111.377 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.24 0.4 87.66 Favored Glycine 0 CA--C 1.543 1.811 0 CA-C-O 118.526 -1.152 . . . . 74.23 113.038 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -114.1 40.0 2.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.096 1.759 . . . . 70.11 111.678 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.324 0.3 OUTLIER 50.62 44.0 27.52 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.112 2.165 . . . . 53.43 114.142 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -132.41 146.12 51.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.679 1.592 . . . . 75.42 110.761 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CD2' HD12 ' A' ' 85' ' ' LEU . 26.1 mt -113.96 152.89 30.21 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.016 1.727 . . . . 64.04 108.639 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.87 139.25 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 124.312 1.045 . . . . 62.55 109.623 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 t -163.84 171.38 15.53 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.972 1.309 . . . . 74.54 110.932 175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.1 m -141.64 140.03 33.17 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.146 1.378 . . . . 73.45 109.948 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.43 125.25 6.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.113 1.365 . . . . 64.14 109.723 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt 56.36 35.78 26.43 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.547 1.539 . . . . 73.3 114.01 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.5 t30 70.53 0.26 3.18 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.962 2.105 . . . . 72.01 114.195 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.79 101.32 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 107.374 -1.343 . . . . 73.41 107.374 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 146.63 54.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.708 1.203 . . . . 61.23 108.707 164.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -137.79 140.97 40.86 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.156 0.982 . . . . 34.33 109.255 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -138.21 118.88 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 125.025 1.453 . . . . 74.23 107.414 171.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.5 m -99.76 147.8 25.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.253 0.971 . . . . 45.21 108.629 168.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -143.71 117.95 9.58 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.537 0.735 . . . . 63.03 110.184 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 tp -81.65 129.08 34.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.752 1.621 . . . . 52.4 109.565 170.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -132.08 73.25 1.52 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.355 1.862 . . . . 62.45 106.931 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.62 -112.15 4.67 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.051 -1.219 . . . . 44.23 110.051 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.1 -2.29 43.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.456 1.502 . . . . 73.33 114.191 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.79 144.98 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 125.062 1.345 . . . . 74.42 109.522 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.07 118.09 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.019 1.327 . . . . 74.32 107.601 167.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -93.83 141.83 28.06 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.801 -0.814 . . . . 74.24 108.801 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -131.93 101.73 5.55 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.888 1.675 . . . . 72.21 107.814 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.8 m -100.64 142.44 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.865 1.266 . . . . 72.14 109.735 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.8 mmt -127.67 154.22 45.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.919 1.287 . . . . 62.25 109.784 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.0 m -137.6 121.63 17.83 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.365 0.666 . . . . 72.1 109.855 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 tt -127.64 102.29 6.77 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 106.781 -1.562 . . . . 64.34 106.781 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.71 13.24 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.403 -1.479 . . . . 74.52 109.403 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -84.42 -19.26 33.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.989 1.316 . . . . 65.24 112.432 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 mm -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 123.838 0.855 . . . . 63.52 110.026 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.5 t -123.03 94.33 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.69 -1.226 . . . . 43.32 107.69 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -83.19 150.35 26.27 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.201 1.4 . . . . 72.25 111.745 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -141.29 149.86 41.8 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 124.059 0.849 . . . . 73.41 109.387 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 -135.4 148.34 49.32 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.464 1.905 . . . . 63.42 108.337 164.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -124.06 135.5 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 106.368 -1.715 . . . . 61.45 106.368 168.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.3 m -128.87 156.04 44.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.952 1.701 . . . . 34.43 108.27 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -143.49 146.73 33.63 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.758 0.823 . . . . 71.15 109.836 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -56.78 138.07 53.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.233 2.213 . . . . 73.33 114.452 -168.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 43.6 pt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 125.463 2.554 . . . . 70.3 107.073 176.377 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.52 -0.548 . . . . 73.21 109.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.55 -17.88 64.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.599 1.56 . . . . 74.3 114.312 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.7 p -59.17 131.11 50.05 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.005 1.322 . . . . 73.43 113.087 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.86 -176.03 31.16 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.265 -1.134 . . . . 62.3 110.265 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -132.04 133.9 44.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.345 1.458 . . . . 72.05 108.61 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -137.8 118.63 14.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.541 1.136 . . . . 73.55 110.654 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -76.91 141.3 40.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.363 0.665 . . . . 63.23 110.42 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.76 128.25 36.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.941 1.696 . . . . 73.22 111.772 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -107.33 -48.7 3.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.804 1.242 . . . . 70.53 110.498 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -159.22 164.45 35.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.35 1.06 . . . . 65.41 110.199 -174.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -162.8 140.16 7.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.483 1.513 . . . . 74.31 109.331 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.1 137.78 45.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.901 1.28 . . . . 45.34 108.044 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.11 37.66 28.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.722 2.009 . . . . 73.35 113.759 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.71 -53.42 58.17 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.124 0.97 . . . . 63.43 113.555 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.75 -30.64 71.33 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.526 1.141 . . . . 73.44 113.493 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.11 61.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.783 1.233 . . . . 65.25 112.988 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -74.96 -40.33 60.81 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.929 1.292 . . . . 65.33 113.339 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.519 ' SD ' HD22 ' A' ' 24' ' ' LEU . 6.2 tpp -71.3 -27.14 63.2 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.739 1.216 . . . . 65.41 112.213 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -71.7 -43.41 65.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.015 1.326 . . . . 62.15 111.679 167.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.31 78.04 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.569 1.322 . . . . 42.34 114.569 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 HD11 ' SD ' ' A' ' 19' ' ' MET . 40.0 pt -79.53 -14.02 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 113.239 0.829 . . . . 75.12 113.239 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.49 17.8 30.13 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-O 117.759 -1.578 . . . . 70.33 113.747 169.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD22 ' SD ' ' A' ' 19' ' ' MET . 3.1 mp -67.37 140.77 95.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 120.098 1.949 . . . . 73.21 110.153 169.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -64.17 142.12 78.89 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.47 2.113 . . . . 71.41 111.602 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.51 -23.86 64.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.188 1.181 . . . . 74.13 114.188 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.84 -38.1 86.93 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.347 0.869 . . . . 65.14 113.347 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.63 -23.72 58.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.726 1.21 . . . . 72.24 112.761 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.74 -49.7 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.039 0.936 . . . . 71.25 111.06 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -69.17 -23.44 63.94 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.659 1.184 . . . . 72.51 114.109 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -91.38 -31.34 16.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.261 1.024 . . . . 74.44 111.81 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.2 -23.77 62.68 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.681 -1.066 . . . . 50.4 112.875 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -72.1 -32.4 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.707 1.253 . . . . 75.03 112.374 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.57 -48.24 17.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.665 1.586 . . . . 72.31 110.956 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.5 mm -65.03 118.58 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.845 1.258 . . . . 62.22 110.967 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -66.13 104.94 1.25 Allowed 'General case' 0 C--N 1.344 0.369 0 O-C-N 124.817 1.323 . . . . 74.41 110.041 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.43 160.6 54.09 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 124.717 1.261 . . . . 45.33 111.005 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.23 126.89 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 107.656 -1.239 . . . . 70.34 107.656 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m -101.4 158.75 15.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.453 1.501 . . . . 54.13 109.278 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.59 136.89 18.66 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.405 1.482 . . . . 74.12 107.178 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -129.25 143.75 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.855 -1.535 . . . . 75.4 106.855 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -128.43 135.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 106.53 -1.655 . . . . 72.01 106.53 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -122.72 122.2 38.18 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.157 -1.053 . . . . 74.4 108.157 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -127.16 73.5 1.43 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.159 1.783 . . . . 74.22 107.368 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 -119.41 7.93 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.416 -1.473 . . . . 72.11 109.416 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -72.42 -30.34 64.54 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.505 1.122 . . . . 73.11 112.63 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -75.59 144.0 42.04 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.968 0.792 . . . . 54.34 111.773 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -132.12 148.75 52.5 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 126.739 2.016 . . . . 75.23 109.676 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -126.51 140.73 52.23 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.097 -1.446 . . . . 74.12 107.097 164.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.01 121.61 32.14 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.278 1.431 . . . . 74.03 108.17 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.2 m -124.8 127.76 47.68 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.192 1.397 . . . . 73.11 107.982 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.15 125.65 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.245 -1.021 . . . . 71.24 108.245 -174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -120.95 127.0 51.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.753 1.221 . . . . 74.21 108.688 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.35 1.66 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.443 1.097 . . . . 71.34 108.511 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 22.92 67.92 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 118.788 -1.007 . . . . 72.42 112.078 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t 77.01 -26.77 0.18 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.726 2.81 . . . . 74.02 114.531 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.78 143.09 51.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.372 1.069 . . . . 75.24 110.732 170.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.5 t -121.92 134.72 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 124.776 1.298 . . . . 55.31 108.981 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.06 134.3 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 106.612 -1.625 . . . . 72.32 106.612 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.58 136.76 50.19 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 124.172 0.92 . . . . 73.31 110.554 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -128.37 149.61 50.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.77 2.028 . . . . 52.35 108.659 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -134.41 143.27 47.49 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.752 1.221 . . . . 44.03 109.113 167.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 40.6 p90 -158.04 161.54 38.06 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 124.567 1.167 . . . . 73.04 111.407 171.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -123.66 127.14 47.79 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.125 -1.435 . . . . 74.33 107.125 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.69 139.53 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 123.974 0.796 . . . . 74.41 112.377 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.3 -2.07 87.68 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.637 1.589 . . . . 74.31 112.381 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -131.8 156.72 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.576 1.55 . . . . 65.44 110.527 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.97 128.48 35.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.551 1.14 . . . . 71.35 110.697 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.6 m -142.76 159.89 41.38 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.495 1.518 . . . . 73.13 109.602 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.18 114.74 27.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.479 0.711 . . . . 74.34 110.8 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 81' ' ' THR . 11.1 mp -101.51 134.76 44.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.491 1.516 . . . . 65.33 109.648 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.66 169.69 15.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.427 . . . . 64.43 110.934 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -133.74 172.7 12.41 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.026 1.33 . . . . 65.2 110.971 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 66.2 mmm -63.22 -28.41 70.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.39 1.476 . . . . 72.21 113.636 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -82.66 -24.52 33.7 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.393 1.477 . . . . 54.03 112.815 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.15 1.64 41.61 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-O 117.934 -1.481 . . . . 72.11 112.88 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.2 152.38 45.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.786 1.793 . . . . 51.14 110.966 167.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -122.74 138.71 54.54 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.736 1.272 . . . . 73.24 109.092 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.21 143.41 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.48 1.112 . . . . 52.22 110.457 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -73.45 136.13 44.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.616 1.166 . . . . 64.23 111.071 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 HD13 ' A' ' 71' ' ' LEU . 5.2 t -163.5 141.63 7.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 124.453 1.096 . . . . 74.41 110.743 -174.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -87.38 140.98 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.307 1.043 . . . . 71.31 109.655 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 32.8 t -117.45 141.49 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 124.448 1.093 . . . . 75.24 108.737 172.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -114.77 165.25 13.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.987 1.715 . . . . 72.33 109.409 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -136.79 115.2 11.82 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.99 -1.115 . . . . 74.15 107.99 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.95 145.54 32.56 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.683 1.239 . . . . 65.14 109.461 168.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.32 -13.12 48.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.509 1.528 . . . . 74.23 114.106 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.47 24.56 0.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.1 2.16 . . . . 70.11 113.019 171.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.283 0.6 OUTLIER 52.87 43.63 31.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 129.503 3.121 . . . . 53.43 113.882 -175.751 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -124.84 107.5 10.97 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.755 1.222 . . . . 75.42 109.642 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.32 140.66 55.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.075 0.95 . . . . 64.04 109.312 161.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -141.1 131.25 26.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 124.175 0.922 . . . . 62.55 109.357 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -157.2 169.42 24.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.968 1.307 . . . . 74.54 111.013 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.6 p -146.6 119.59 8.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.087 1.355 . . . . 73.45 109.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -134.41 124.99 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.699 1.2 . . . . 64.14 108.754 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt 55.44 38.06 29.75 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.221 1.809 . . . . 73.3 114.23 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 t30 71.8 -7.16 1.3 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.54 1.936 . . . . 72.01 114.027 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.3 mt -77.75 109.15 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.713 -1.217 . . . . 73.41 107.713 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.41 34.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.71 1.604 . . . . 61.23 109.316 168.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -144.11 128.93 18.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.57 -0.9 . . . . 34.33 108.57 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.84 135.3 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.573 -1.64 . . . . 74.23 106.573 168.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 m -125.56 131.85 52.67 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 124.386 1.054 . . . . 45.21 108.596 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.8 129.2 34.18 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 124.198 0.936 . . . . 63.03 111.458 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.33 94.08 6.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.495 1.918 . . . . 52.4 110.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.77 74.33 7.48 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.238 1.015 . . . . 62.45 109.056 172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.1 -92.25 0.74 Allowed Glycine 0 C--N 1.346 1.12 0 N-CA-C 109.7 -1.36 . . . . 44.23 109.7 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.08 -1.44 13.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.64 1.976 . . . . 73.33 112.49 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.7 mm -109.17 128.88 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 124.302 1.041 . . . . 74.42 108.403 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.4 mm -103.96 116.63 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.467 1.107 . . . . 74.32 109.168 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.4 m -94.51 134.25 37.24 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 124.503 1.127 . . . . 74.24 107.966 164.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -114.78 137.52 51.84 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.507 -1.664 . . . . 72.21 106.507 161.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.8 m -133.46 114.97 14.22 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.003 -1.48 . . . . 72.14 107.003 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.6 mmm -125.04 125.03 43.2 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.804 1.315 . . . . 62.25 108.859 -172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.8 m -126.55 118.58 25.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.297 0.499 . . . . 72.1 110.73 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.7 tp -120.15 94.7 4.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.35 1.46 . . . . 64.34 107.774 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.95 -126.29 28.9 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 110.057 -1.217 . . . . 74.52 110.057 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.04 -19.3 61.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.474 1.51 . . . . 65.24 113.037 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.2 mm -83.77 123.33 38.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.633 0.773 . . . . 63.52 109.847 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.23 94.76 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.617 -1.253 . . . . 43.32 107.617 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -80.83 145.91 31.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.697 1.199 . . . . 72.25 110.572 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -136.49 156.19 48.93 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.285 -1.006 . . . . 73.41 108.285 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -144.02 130.24 19.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.715 2.006 . . . . 63.42 106.362 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -126.91 119.61 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.264 -1.754 . . . . 61.45 106.264 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 m -130.09 153.48 48.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.948 1.299 . . . . 34.43 109.008 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -136.38 138.01 41.14 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.71 1.204 . . . . 71.15 109.922 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -64.19 127.95 33.66 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.051 1.34 . . . . 73.33 113.396 -170.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 103.766 -2.679 . . . . 70.3 103.766 178.61 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.279 -1.008 . . . . 73.21 108.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.06 -26.38 67.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.577 1.151 . . . . 74.3 113.99 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -54.72 129.3 36.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.722 2.009 . . . . 73.43 114.249 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.74 -175.08 32.2 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.104 -1.198 . . . . 62.3 110.104 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -114.01 141.99 46.73 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.226 1.81 . . . . 72.05 108.939 171.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -144.09 113.02 6.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 124.568 1.167 . . . . 73.55 109.203 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.98 137.75 39.21 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 123.093 0.557 . . . . 63.23 110.062 172.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.24 126.94 29.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.083 1.753 . . . . 73.22 111.678 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -101.94 -44.73 5.41 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.216 1.806 . . . . 70.53 110.579 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -154.13 164.24 38.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.236 1.414 . . . . 65.41 110.213 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.66 155.81 32.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.957 1.303 . . . . 74.31 110.201 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -143.5 142.18 31.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.793 1.237 . . . . 45.34 108.077 -166.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 56.64 29.76 16.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.768 1.627 . . . . 73.35 112.911 -171.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.61 -57.1 14.45 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.291 1.037 . . . . 63.43 113.31 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.73 -39.74 95.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.807 1.243 . . . . 73.44 112.735 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.99 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.255 1.422 . . . . 65.25 113.188 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -79.11 -41.18 29.24 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.268 1.027 . . . . 65.33 112.767 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -27.49 67.77 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.537 1.148 . . . . 65.41 112.398 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.81 -46.53 57.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.436 1.494 . . . . 62.15 111.616 168.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.54 74.18 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.038 1.495 . . . . 42.34 115.038 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 pt -76.22 -17.13 15.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.628 0.973 . . . . 75.12 113.628 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.2 19.34 30.87 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-O 118.267 -1.296 . . . . 70.33 113.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.54 139.29 83.73 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 119.466 1.633 . . . . 73.21 109.167 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.72 145.11 74.38 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.284 1.989 . . . . 71.41 111.814 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.2 -27.9 37.23 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.697 1.369 . . . . 74.13 114.697 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.78 -46.69 84.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.38 1.472 . . . . 65.14 112.363 172.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.39 -25.0 60.38 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.11 1.364 . . . . 72.24 113.218 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.2 mt -69.71 -52.28 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 71.25 110.206 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -70.49 -31.06 68.02 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.315 1.228 . . . . 72.51 114.315 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.78 -10.81 54.91 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.081 -0.961 . . . . 74.44 112.857 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.18 -19.9 9.11 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.082 -1.399 . . . . 50.4 112.88 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -64.62 -38.2 90.2 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.467 1.633 . . . . 75.03 113.381 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.13 -19.02 44.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 72.31 112.86 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -86.33 96.06 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.162 0.985 . . . . 62.22 109.631 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -70.29 124.18 23.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.043 0.937 . . . . 74.41 109.972 167.461 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 -171.75 28.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.722 1.264 . . . . 45.33 111.217 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -129.58 148.8 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.688 1.595 . . . . 70.34 108.397 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 m -128.35 119.91 25.98 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.086 0.867 . . . . 54.13 109.891 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -78.1 148.07 34.37 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.256 0.973 . . . . 74.12 108.632 160.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -134.2 148.82 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 106.481 -1.674 . . . . 75.4 106.481 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.06 148.11 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 125.243 1.417 . . . . 72.01 107.624 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -136.92 103.62 5.22 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.626 -1.25 . . . . 74.4 107.626 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -110.67 70.81 0.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.364 1.866 . . . . 74.22 108.064 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.39 -119.35 7.76 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 109.031 -1.628 . . . . 72.11 109.031 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.24 -31.49 62.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.059 -0.972 . . . . 73.11 112.612 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -70.36 141.94 52.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.749 0.656 . . . . 54.34 111.245 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -129.18 148.53 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.622 1.969 . . . . 75.23 108.799 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.13 146.87 50.23 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.715 -1.217 . . . . 74.12 107.715 165.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.94 142.91 50.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.033 1.333 . . . . 74.03 107.545 162.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.8 m -126.16 125.76 43.0 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.338 -2.097 . . . . 73.11 105.338 162.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.47 105.63 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.349 -1.723 . . . . 71.24 106.349 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -116.96 117.83 30.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.27 1.028 . . . . 74.21 109.967 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.18 146.28 8.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.919 1.288 . . . . 71.34 109.084 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.05 25.15 75.98 Favored Glycine 0 CA--C 1.54 1.644 0 CA-C-O 118.871 -0.961 . . . . 72.42 113.378 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.4 t 66.58 37.62 4.41 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.891 2.076 . . . . 74.02 113.282 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 151.76 35.64 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.025 1.33 . . . . 75.24 109.142 172.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -121.17 117.97 54.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.795 1.309 . . . . 55.31 108.408 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.45 144.22 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 107.39 -1.337 . . . . 72.32 107.39 166.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.66 140.5 49.36 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.624 0.578 . . . . 73.31 110.922 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -118.05 139.8 50.69 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 124.434 1.084 . . . . 52.35 108.219 169.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -132.19 117.94 18.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 106.673 -1.603 . . . . 44.03 106.673 174.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.446 ' CE2' HG11 ' A' ' 83' ' ' VAL . 53.6 p90 -149.44 166.06 30.25 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 124.667 1.229 . . . . 73.04 111.181 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -129.48 123.79 32.4 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.686 -1.227 . . . . 74.33 107.686 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.97 122.76 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 124.118 0.886 . . . . 74.41 111.596 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.07 59.62 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.328 1.442 . . . . 74.31 112.638 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -122.1 154.69 37.03 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.568 1.684 . . . . 65.44 110.479 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -78.67 129.71 35.03 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.087 0.867 . . . . 71.35 109.63 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.5 m -130.62 -164.22 1.4 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.655 1.582 . . . . 73.13 107.685 173.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -127.18 123.97 37.9 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.769 -0.826 . . . . 74.34 108.769 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.07 125.23 50.77 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.256 1.423 . . . . 65.33 109.93 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -76.47 162.86 27.48 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.232 1.583 . . . . 64.43 110.754 169.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.4 p -137.36 175.59 9.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.148 0.979 . . . . 65.2 110.717 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.8 mmm -51.16 -38.36 51.67 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.23 2.212 . . . . 72.21 114.444 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -78.57 -15.97 57.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.189 1.796 . . . . 54.03 114.043 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.92 7.92 73.52 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 118.687 -1.063 . . . . 72.11 112.545 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.42 148.44 48.35 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 118.953 1.377 . . . . 51.14 110.439 166.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -125.1 137.32 54.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.425 1.09 . . . . 73.24 109.055 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.48 145.87 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 124.227 0.954 . . . . 52.22 111.261 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -69.36 134.22 48.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.05 1.34 . . . . 64.23 112.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 t -169.82 153.61 4.95 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.779 1.3 . . . . 74.41 111.341 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.69 148.31 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.792 1.637 . . . . 71.31 110.067 170.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' CE2' ' A' ' 63' ' ' PHE . 32.5 t -119.05 145.5 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.156 -1.054 . . . . 75.24 108.156 168.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -122.0 162.98 20.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.649 1.58 . . . . 72.33 110.039 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.77 129.14 21.21 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.427 1.091 . . . . 74.15 109.775 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -92.09 171.61 8.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.799 1.64 . . . . 65.14 110.896 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.93 4.49 65.72 Favored Glycine 0 CA--C 1.542 1.772 0 CA-C-O 118.745 -1.031 . . . . 74.23 112.963 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.47 36.02 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.568 1.947 . . . . 70.11 112.109 -172.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.83 33.82 22.29 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.463 1.905 . . . . 53.43 114.117 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -128.21 115.54 18.51 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.291 . . . . 75.42 111.297 -168.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 mt -83.33 148.69 27.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.691 1.596 . . . . 64.04 109.428 163.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.6 t -145.48 140.67 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.137 0.975 . . . . 62.55 109.958 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -154.79 166.07 34.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.955 1.702 . . . . 74.54 110.108 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -139.98 127.51 21.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.863 0.865 . . . . 73.45 110.405 173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -142.13 125.11 16.17 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.595 1.558 . . . . 64.14 109.925 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 60.07 32.38 20.98 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.498 1.519 . . . . 73.3 113.4 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.5 t30 71.91 -2.2 2.59 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.38 2.272 . . . . 72.01 114.253 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.472 HG12 HD12 ' A' ' 115' ' ' LEU . 16.7 mt -84.27 96.97 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.367 -1.346 . . . . 73.41 107.367 171.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.79 139.3 57.78 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.208 -1.034 . . . . 61.23 108.208 163.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 t -135.44 143.1 45.73 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.242 1.017 . . . . 34.33 109.176 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.39 133.35 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.835 1.654 . . . . 74.23 107.002 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -117.45 122.8 44.75 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 108.268 -1.012 . . . . 45.21 108.268 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -122.54 104.54 9.43 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.023 1.329 . . . . 63.03 109.796 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.15 146.76 45.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.958 1.703 . . . . 52.4 111.058 173.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.48 68.89 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.53 1.932 . . . . 62.45 107.538 -177.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.86 -104.44 1.32 Allowed Glycine 0 CA--C 1.533 1.21 0 N-CA-C 109.776 -1.329 . . . . 44.23 109.776 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.95 -1.18 57.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.893 1.677 . . . . 73.33 113.243 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -112.1 145.93 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.199 1.0 . . . . 74.42 109.246 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.9 mm -126.13 119.73 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.974 1.31 . . . . 74.32 107.579 168.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -91.66 137.12 32.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.739 -1.208 . . . . 74.24 107.739 162.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -120.26 126.38 50.45 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 106.271 -1.751 . . . . 72.21 106.271 165.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.7 m -122.71 142.28 50.87 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.142 -1.058 . . . . 72.14 108.142 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.7 mtt -131.85 153.5 50.12 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.919 0.888 . . . . 62.25 110.013 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.3 m -138.5 115.2 10.66 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.407 1.083 . . . . 72.1 109.333 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 98' ' ' ILE . 2.0 tt -121.19 103.63 9.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.699 -1.963 . . . . 64.34 105.699 171.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.8 -122.81 23.09 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 109.56 -1.416 . . . . 74.52 109.56 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.42 -21.94 30.57 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.966 1.307 . . . . 65.24 112.513 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.403 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.9 mp -75.31 114.82 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.463 0.705 . . . . 63.52 109.974 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 67.5 t -108.81 85.41 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 124.615 1.197 . . . . 43.32 108.569 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -66.37 147.65 52.99 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.951 1.3 . . . . 72.25 112.331 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -144.39 155.74 43.91 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.078 0.861 . . . . 73.41 109.935 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -144.64 148.34 34.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.546 2.338 . . . . 63.42 108.165 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.87 128.99 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 105.195 -2.15 . . . . 61.45 105.195 166.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -128.18 153.8 46.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.025 1.73 . . . . 34.43 108.171 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -142.03 143.67 33.25 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.678 0.791 . . . . 71.15 110.273 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.16 132.93 51.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.938 2.095 . . . . 73.33 114.393 -167.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 47.3 pt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 125.505 2.574 . . . . 70.3 107.056 173.736 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 109.841 -0.429 . . . . 73.21 109.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.489 ' HA ' HD13 ' A' ' 104' ' ' LEU . 77.6 m-85 -61.19 -20.94 63.34 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.066 1.746 . . . . 74.3 114.593 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 m -55.02 123.54 13.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.648 1.979 . . . . 73.43 113.383 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.09 179.4 31.11 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 110.327 -1.109 . . . . 62.3 110.327 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -118.81 135.95 54.26 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.802 1.641 . . . . 72.05 108.658 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -138.92 116.55 11.39 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.191 1.397 . . . . 73.55 109.707 -168.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HB2' HD13 ' A' ' 127' ' ' ILE . 11.7 tt0 -76.44 141.91 41.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.828 -0.434 . . . . 63.23 109.828 171.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.12 128.62 34.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.204 1.801 . . . . 73.22 111.921 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.5 -58.51 1.91 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 124.861 1.351 . . . . 70.53 109.369 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -161.44 169.58 21.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.539 1.135 . . . . 65.41 110.191 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 pm0 -158.16 149.37 21.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.191 1.397 . . . . 74.31 109.865 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.78 142.29 46.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.96 1.304 . . . . 45.34 109.787 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 57.97 39.32 26.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.452 2.301 . . . . 73.35 113.161 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.7 -53.16 61.22 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.939 1.296 . . . . 63.43 112.738 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.64 -38.75 92.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.918 1.687 . . . . 73.44 112.408 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.97 88.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.995 1.318 . . . . 65.25 112.9 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.41 -42.79 61.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.71 1.204 . . . . 65.33 112.132 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.01 62.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.578 1.151 . . . . 65.41 112.916 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -73.62 -46.04 49.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.586 1.155 . . . . 62.15 111.309 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.67 80.18 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 125.197 1.399 . . . . 42.34 114.379 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 24' ' ' LEU . 50.5 pt -75.24 -16.27 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 N-CA-C 114.024 1.12 . . . . 75.12 114.024 175.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.64 22.26 37.4 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-O 118.503 -1.165 . . . . 70.33 113.12 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 22' ' ' ILE . 2.9 mp -68.54 141.71 93.42 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.141 1.47 . . . . 73.21 109.036 166.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.52 139.06 74.11 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.17 1.914 . . . . 71.41 111.459 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -52.77 -28.1 20.88 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.261 1.424 . . . . 74.13 114.153 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.27 -49.19 78.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.798 1.639 . . . . 65.14 112.27 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.61 -22.28 65.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.998 1.319 . . . . 72.24 113.815 172.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -73.88 -55.11 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 118.822 0.737 . . . . 71.25 110.175 174.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -71.94 -25.46 61.9 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.797 1.036 . . . . 72.51 113.797 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -81.6 -35.07 30.54 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.003 0.921 . . . . 74.44 111.466 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.75 -21.11 64.38 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 118.429 -1.206 . . . . 50.4 113.874 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -68.88 -36.22 77.82 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.014 1.407 . . . . 75.03 112.382 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 -25.6 35.89 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.133 1.373 . . . . 72.31 113.906 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.13 100.49 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.48 0.582 . . . . 62.22 109.508 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 99.89 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.501 1.92 . . . . 74.41 111.188 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 172.65 50.71 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 114.852 -1.067 . . . . 45.33 112.115 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.2 t -137.56 143.93 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.208 1.403 . . . . 70.34 107.655 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -115.91 147.52 41.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.327 1.451 . . . . 54.13 108.708 169.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -140.46 112.43 7.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.659 -1.238 . . . . 74.12 107.659 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -111.24 146.88 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.029 -1.1 . . . . 75.4 108.029 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.3 104.26 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.917 0.887 . . . . 72.01 108.788 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.33 132.95 34.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.539 1.136 . . . . 74.4 109.861 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -135.8 68.88 1.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.116 1.766 . . . . 74.22 107.748 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.73 -106.18 1.74 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.365 -1.494 . . . . 72.11 109.365 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -37.75 51.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.323 1.049 . . . . 73.11 112.625 174.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -74.74 148.15 40.72 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 123.649 0.593 . . . . 54.34 111.812 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.03 115.56 9.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.958 2.103 . . . . 75.23 108.804 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -94.1 136.91 33.88 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.802 1.314 . . . . 74.12 107.503 163.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.81 139.81 53.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.528 1.531 . . . . 74.03 107.658 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 m -133.3 142.3 48.41 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.146 -1.427 . . . . 73.11 107.146 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -140.97 141.7 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.785 -1.561 . . . . 71.24 106.785 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -137.42 126.47 24.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.023 -1.102 . . . . 74.21 108.023 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.3 154.02 10.11 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 71.34 109.892 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.42 -84.18 0.97 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.088 -1.205 . . . . 72.42 110.088 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 84.9 p -163.91 24.74 0.08 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.02 1.728 . . . . 74.02 111.362 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 152.91 40.56 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.385 1.074 . . . . 75.24 110.902 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.37 131.94 62.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 125.048 1.468 . . . . 55.31 109.0 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mt -104.23 141.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 128.025 2.53 . . . . 72.32 108.349 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -139.8 131.03 26.59 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.359 1.037 . . . . 73.31 109.32 166.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -123.34 138.44 54.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.158 1.783 . . . . 52.35 107.291 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -135.0 125.84 27.38 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.359 1.064 . . . . 44.03 108.282 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 83' ' ' VAL . 54.8 p90 -152.57 157.78 41.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.684 1.24 . . . . 73.04 111.231 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -122.04 126.34 48.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.21 126.75 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.915 0.759 . . . . 74.41 111.978 -169.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 3.87 68.95 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.18 1.372 . . . . 74.31 112.644 -171.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -129.03 146.45 51.0 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.273 1.536 . . . . 65.44 110.128 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.88 118.88 18.33 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.014 0.926 . . . . 71.35 110.681 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.28 152.13 44.25 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.336 1.455 . . . . 73.13 109.183 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -90.61 110.43 21.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.484 0.49 . . . . 74.34 111.339 -172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.71 140.34 29.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.469 1.508 . . . . 65.33 110.387 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 158.26 20.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.215 1.806 . . . . 64.43 111.203 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -129.36 162.6 27.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.601 1.56 . . . . 65.2 109.945 172.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.8 mmt -53.22 -29.47 32.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.107 1.763 . . . . 72.21 115.692 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.1 p -78.25 -8.88 58.88 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.276 1.431 . . . . 54.03 114.065 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.72 81.39 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.476 -1.18 . . . . 72.11 112.375 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.8 146.67 52.68 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.012 1.406 . . . . 51.14 110.35 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -128.21 137.25 51.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 124.331 1.019 . . . . 73.24 109.763 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -143.56 140.88 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.49 1.116 . . . . 52.22 111.55 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -70.1 137.69 51.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.904 1.681 . . . . 64.23 111.179 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -167.59 147.41 5.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.362 1.065 . . . . 74.41 110.582 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.7 t -91.88 114.55 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.532 -0.914 . . . . 71.31 108.532 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 63' ' ' PHE . 41.6 t -85.64 147.19 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.497 -0.927 . . . . 75.24 108.497 168.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -121.03 156.5 32.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.427 1.091 . . . . 72.33 110.129 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.0 126.78 52.52 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 124.982 1.426 . . . . 74.15 108.27 169.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.79 165.51 13.23 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.892 1.677 . . . . 65.14 110.073 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.31 -1.74 81.98 Favored Glycine 0 CA--C 1.539 1.574 0 CA-C-O 118.32 -1.267 . . . . 74.23 114.675 -172.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.42 51.85 1.06 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.389 1.476 . . . . 70.11 111.271 -172.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.17 41.06 19.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.617 2.367 . . . . 53.43 114.297 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -133.88 143.97 48.61 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.405 1.482 . . . . 75.42 111.119 -171.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.0 mt -116.11 149.67 38.61 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.648 1.979 . . . . 64.04 108.422 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.9 t -142.08 139.71 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.152 0.981 . . . . 62.55 109.44 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.6 t -155.0 170.26 22.17 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.371 1.468 . . . . 74.54 110.171 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -140.27 129.02 23.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.07 0.948 . . . . 73.45 109.141 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.15 131.88 27.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.981 1.313 . . . . 64.14 108.067 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.53 47.9 22.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.75 1.62 . . . . 73.3 114.903 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 73.75 -3.57 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.387 1.875 . . . . 72.01 113.858 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 115' ' ' LEU . 3.3 mt -98.79 104.77 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.457 1.503 . . . . 73.41 108.473 -175.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.77 127.78 33.57 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.803 0.689 . . . . 61.23 109.412 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 t -117.25 140.69 49.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 34.33 109.602 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.5 135.47 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 106.992 -1.485 . . . . 74.23 106.992 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 m -127.02 145.47 50.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.137 0.975 . . . . 45.21 108.774 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -146.57 141.14 26.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.499 0.72 . . . . 63.03 111.168 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 3' ' ' PHE . 8.5 tp -111.59 94.11 4.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.664 1.986 . . . . 52.4 108.743 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -95.17 78.05 3.5 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.007 0.923 . . . . 62.45 109.007 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.77 -113.73 5.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 109.433 -1.467 . . . . 44.23 109.433 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.42 0.3 57.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.892 1.677 . . . . 73.33 113.465 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 mm -105.94 136.7 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.619 1.168 . . . . 74.42 108.285 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mm -111.26 128.11 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.296 1.038 . . . . 74.32 108.754 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 m -105.98 141.72 36.9 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.551 1.157 . . . . 74.24 108.488 167.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.25 147.95 47.71 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.243 1.417 . . . . 72.21 107.636 162.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 88.8 m -136.68 135.4 38.18 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.183 1.393 . . . . 72.14 107.414 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.6 mmt -122.07 144.89 48.64 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.179 1.392 . . . . 62.25 108.178 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.8 m -138.29 89.62 2.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.032 0.933 . . . . 72.1 108.582 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 98' ' ' ILE . 12.7 tp -101.78 105.35 16.2 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 125.687 1.595 . . . . 64.34 109.256 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.27 -102.75 0.32 Allowed Glycine 0 CA--C 1.536 1.351 0 O-C-N 124.775 1.297 . . . . 74.52 111.685 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.15 -11.77 27.58 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.122 1.769 . . . . 65.24 112.751 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.7 mm -101.94 136.71 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.06 1.344 . . . . 63.52 110.315 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.1 t -120.41 94.25 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.548 1.139 . . . . 43.32 108.134 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -84.44 146.9 27.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.051 1.341 . . . . 72.25 111.125 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -145.62 150.36 36.2 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.398 -0.964 . . . . 73.41 108.398 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.03 139.8 26.35 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.018 1.727 . . . . 63.42 108.675 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.6 129.29 55.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 107.363 -1.347 . . . . 61.45 107.363 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -133.51 155.37 49.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.669 1.588 . . . . 34.43 108.362 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -139.68 143.07 36.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.598 0.759 . . . . 71.15 110.285 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.3 129.8 43.45 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.974 1.71 . . . . 73.33 114.055 -169.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 8' ' ' GLN . 30.2 pt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 125.378 2.513 . . . . 70.3 107.558 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 110.445 -0.206 . . . . 73.21 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' A' ' 41' ' ' ILE . 47.9 m-85 -65.4 -18.45 65.33 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.186 1.18 . . . . 74.3 114.186 175.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -57.01 138.0 54.94 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.859 . . . . 73.43 114.377 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.04 23.02 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 124.281 0.988 . . . . 62.3 110.913 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -109.15 141.12 41.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.627 1.971 . . . . 72.05 108.966 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -142.56 106.1 4.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.012 1.325 . . . . 73.55 110.062 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -70.6 141.16 51.78 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.743 0.817 . . . . 63.23 111.16 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LYS . 64.3 tp -57.27 124.66 19.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.726 1.61 . . . . 73.22 111.308 167.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -98.79 -49.13 4.68 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.516 1.135 . . . . 70.53 110.608 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.7 167.52 20.95 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 124.369 1.068 . . . . 65.41 111.07 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -157.99 150.03 22.0 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.512 1.125 . . . . 74.31 110.769 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -129.51 141.56 50.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.747 1.619 . . . . 45.34 109.551 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 58.7 29.3 18.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.153 2.181 . . . . 73.35 112.84 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.21 -52.72 64.39 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.56 1.544 . . . . 63.43 111.871 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.99 -35.25 80.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.718 1.261 . . . . 73.44 113.632 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.84 76.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.726 1.211 . . . . 65.25 112.791 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -76.63 -40.14 50.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.357 1.463 . . . . 65.33 113.333 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -26.84 62.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.5 1.12 . . . . 65.41 112.244 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -72.03 -40.26 68.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.477 1.111 . . . . 62.15 111.581 166.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.58 -22.31 65.38 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.882 1.438 . . . . 42.34 114.882 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 24' ' ' LEU . 44.7 pt -92.44 -11.48 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.059 0.944 . . . . 75.12 113.064 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.84 22.43 39.17 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.137 -1.368 . . . . 70.33 113.961 170.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.0 mp -67.0 145.72 98.96 Favored Pre-proline 0 CA--C 1.551 0.986 0 CA-C-N 119.625 1.712 . . . . 73.21 110.502 170.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.22 138.14 65.04 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.842 2.361 . . . . 71.41 112.413 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.77 -26.42 65.68 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.486 1.662 . . . . 74.13 115.486 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -64.84 -43.0 94.47 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 65.14 112.869 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -71.23 -18.64 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.833 1.253 . . . . 72.24 112.941 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.96 -53.85 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.551 0.741 . . . . 71.25 110.368 168.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.61 -26.19 65.23 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.1 1.519 . . . . 72.51 115.1 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -98.18 -26.04 14.69 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 118.157 -0.925 . . . . 74.44 112.098 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -25.72 69.59 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-O 118.94 -0.922 . . . . 50.4 112.412 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -72.06 -29.47 64.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.226 1.013 . . . . 75.03 112.176 171.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.13 -45.15 20.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.602 1.561 . . . . 72.31 111.257 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.461 HG21 ' H ' ' A' ' 55' ' ' GLY . 9.9 mm -66.26 114.46 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.562 1.145 . . . . 62.22 111.227 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HA ' HD23 ' A' ' 9' ' ' LEU . 60.4 mttp -74.65 127.01 32.06 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 124.51 1.132 . . . . 74.41 109.855 168.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.07 -174.97 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 125.102 1.501 . . . . 45.33 110.225 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.67 138.79 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.94 1.296 . . . . 70.34 107.768 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -113.21 134.68 54.46 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.757 1.223 . . . . 54.13 108.274 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.75 144.35 41.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 108.574 -0.898 . . . . 74.12 108.574 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.425 HG21 ' HB3' ' A' ' 3' ' ' PHE . 24.3 mt -126.83 143.69 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.843 -1.539 . . . . 75.4 106.843 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -140.92 94.53 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.319 -0.993 . . . . 72.01 108.319 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.06 122.96 25.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.353 1.061 . . . . 74.4 109.906 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -129.86 67.08 1.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.247 1.819 . . . . 74.22 107.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.59 -121.73 6.92 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 108.685 -1.766 . . . . 72.11 108.685 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -31.38 68.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.031 0.932 . . . . 73.11 112.593 171.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -71.58 150.17 44.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.052 0.941 . . . . 54.34 112.167 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.08 141.75 36.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.848 2.059 . . . . 75.23 109.157 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -106.41 148.88 27.59 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 124.631 1.207 . . . . 74.12 109.754 153.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -135.57 93.12 2.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.67 1.988 . . . . 74.03 107.967 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 m -84.66 141.65 30.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.099 0.96 . . . . 73.11 109.292 170.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -140.24 115.2 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.386 -1.339 . . . . 71.24 107.386 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -111.84 121.54 45.33 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.384 1.074 . . . . 74.21 108.989 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 136.49 1.79 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.552 1.141 . . . . 71.34 109.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.461 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 77.16 26.78 61.2 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-O 118.886 -0.952 . . . . 72.42 113.066 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.5 m 63.97 40.74 7.04 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.678 1.991 . . . . 74.02 113.433 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.48 150.74 32.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.689 1.596 . . . . 75.24 108.061 171.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.4 114.68 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.599 1.187 . . . . 55.31 108.625 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.0 141.46 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 107.884 -1.154 . . . . 72.32 107.884 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -129.4 138.54 51.55 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 124.387 1.054 . . . . 73.31 108.533 160.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -131.8 138.25 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 52.35 107.949 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -122.14 139.99 53.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 125.597 1.811 . . . . 44.03 109.193 172.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 38.3 p90 -155.55 163.29 40.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 124.948 1.405 . . . . 73.04 110.614 171.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -133.05 121.99 23.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.247 -1.39 . . . . 74.33 107.247 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -72.15 128.04 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 123.922 0.764 . . . . 74.41 111.824 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.95 1.98 69.64 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.297 -1.28 . . . . 74.31 112.297 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -130.51 153.08 49.2 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 125.633 1.573 . . . . 65.44 110.007 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.18 122.93 29.03 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.715 0.806 . . . . 71.35 110.62 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 99.4 m -138.34 161.36 37.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.089 1.356 . . . . 73.13 110.372 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.1 99.76 9.29 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.294 1.038 . . . . 74.34 110.654 -162.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.27 139.72 30.38 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.849 1.26 . . . . 65.33 111.969 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.86 153.14 25.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.517 1.927 . . . . 64.43 110.349 169.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -115.03 160.66 19.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.612 1.565 . . . . 65.2 109.702 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.64 -22.45 34.41 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 116.359 1.985 . . . . 72.21 116.359 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -78.98 -23.11 44.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.699 1.6 . . . . 54.03 113.685 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.24 6.02 29.87 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.799 1.19 . . . . 72.11 112.986 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 157.77 30.59 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.3 1.55 . . . . 51.14 109.676 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -132.4 144.21 50.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.134 0.974 . . . . 73.24 111.269 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.81 150.28 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.665 1.186 . . . . 52.22 111.473 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.73 146.05 36.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.472 1.509 . . . . 64.23 111.792 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -170.73 142.56 1.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.386 1.474 . . . . 74.41 110.5 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.42 127.74 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.497 0.719 . . . . 71.31 109.231 169.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 21.7 t -102.12 150.63 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 124.74 1.275 . . . . 75.24 108.331 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -130.64 155.62 46.27 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.353 1.061 . . . . 72.33 110.455 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -121.65 133.49 54.97 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 125.105 1.503 . . . . 74.15 108.226 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.05 168.2 9.6 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.961 1.413 . . . . 65.14 110.426 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 1.45 21.23 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.581 1.563 . . . . 74.23 115.893 -170.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -118.37 37.5 4.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.655 1.582 . . . . 70.11 112.163 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.334 0.0 OUTLIER 56.74 38.08 29.25 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.675 1.99 . . . . 53.43 113.99 178.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -127.21 134.58 50.09 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 124.614 1.166 . . . . 75.42 111.096 -171.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.83 149.52 26.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.618 1.567 . . . . 64.04 109.196 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -142.88 135.38 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 62.55 109.361 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -148.3 159.84 43.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.886 1.674 . . . . 74.54 110.358 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.2 m -138.27 110.17 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.39 0.676 . . . . 73.45 110.809 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -133.14 133.45 42.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.214 1.406 . . . . 64.14 109.848 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt 40.67 63.14 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.249 2.22 . . . . 73.3 114.927 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . 0.289 4.3 p30 67.1 -9.07 0.4 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.753 2.421 . . . . 72.01 116.084 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.5 mt -95.41 110.7 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 124.948 1.299 . . . . 73.41 109.29 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -79.94 101.08 8.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.603 1.561 . . . . 61.23 108.016 168.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 t -99.1 140.95 32.5 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.485 1.114 . . . . 34.33 110.874 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -133.42 140.8 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.434 1.894 . . . . 74.23 107.381 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -128.61 150.7 50.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.061 0.944 . . . . 45.21 108.7 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -143.82 118.05 9.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.039 0.936 . . . . 63.03 109.557 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -75.73 135.93 40.34 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.768 1.292 . . . . 52.4 108.582 160.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.36 73.16 1.23 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.092 -1.077 . . . . 62.45 108.092 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.8 -100.93 1.37 Allowed Glycine 0 C--N 1.346 1.104 0 N-CA-C 108.715 -1.754 . . . . 44.23 108.715 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -109.61 -6.14 15.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.317 1.847 . . . . 73.33 112.369 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.49 130.11 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.403 1.081 . . . . 74.42 108.452 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.9 mm -113.25 115.75 50.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.348 -0.982 . . . . 74.32 108.348 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.8 m -96.65 139.27 32.97 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.127 0.892 . . . . 74.24 108.631 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -123.53 137.7 54.71 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 106.979 -1.489 . . . . 72.21 106.979 168.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.0 m -134.53 137.64 44.0 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.47 1.108 . . . . 72.14 108.721 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.5 mtt -137.5 101.78 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.319 1.047 . . . . 62.25 109.906 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 99.8 m -85.46 110.65 19.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.504 1.122 . . . . 72.1 110.03 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tt -111.46 90.84 3.45 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.886 2.074 . . . . 64.34 107.18 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.78 -102.88 0.81 Allowed Glycine 0 CA--C 1.536 1.38 0 N-CA-C 110.213 -1.155 . . . . 74.52 110.213 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.51 -6.08 19.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.455 1.502 . . . . 65.24 112.439 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -92.73 144.01 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.762 1.225 . . . . 63.52 108.721 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.7 t -131.19 93.56 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.905 -0.776 . . . . 43.32 108.905 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.89 151.59 44.57 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.418 1.087 . . . . 72.25 111.867 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -149.62 144.67 26.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.632 1.208 . . . . 73.41 108.977 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -122.23 158.14 30.1 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.528 1.131 . . . . 63.42 110.14 161.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.68 127.01 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 105.75 -1.944 . . . . 61.45 105.75 165.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 m -126.69 160.15 31.61 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.734 1.614 . . . . 34.43 108.518 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -146.83 140.01 25.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.611 0.764 . . . . 71.15 110.25 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.21 136.17 57.87 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 126.304 1.841 . . . . 73.33 113.81 -171.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 103.301 -2.852 . . . . 70.3 103.301 175.161 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 106.19 -1.782 . . . . 73.55 106.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 57.59 -158.98 0.27 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.45 1.9 . . . . 73.41 113.06 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -78.18 -21.78 49.63 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.319 -0.848 . . . . 62.12 112.86 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 57.64 32.3 21.65 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.682 1.993 . . . . 64.34 113.496 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 65.9 t60 60.38 87.67 0.09 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.581 1.952 . . . . 62.32 110.581 -167.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 135.63 57.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.21 1.004 . . . . 73.1 111.99 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.94 139.62 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.274 1.43 . . . . 42.51 109.08 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -84.08 147.63 27.26 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.543 1.137 . . . . 75.2 111.264 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 64.36 37.39 8.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.082 1.753 . . . . 75.43 112.659 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -80.95 135.84 35.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.574 1.15 . . . . 73.21 109.983 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.86 69.36 6.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.223 1.009 . . . . 74.3 108.634 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -135.49 111.22 9.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.882 1.273 . . . . 73.43 109.075 -171.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -172.22 34.67 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.087 -1.205 . . . . 62.3 110.087 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -125.65 136.46 53.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.116 1.366 . . . . 72.05 108.498 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.77 121.7 13.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 73.55 109.724 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.27 145.08 30.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.092 0.557 . . . . 63.23 110.049 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.48 124.35 17.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.584 1.553 . . . . 73.22 111.222 166.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -94.18 -49.41 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 124.407 1.067 . . . . 70.53 109.748 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.7 p -164.43 171.64 14.42 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.157 1.383 . . . . 65.41 110.585 -175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -161.79 147.22 13.37 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.151 1.38 . . . . 74.31 110.235 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.67 142.09 51.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.385 1.874 . . . . 45.34 109.967 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.77 30.1 18.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.057 2.143 . . . . 73.35 112.725 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.1 -50.17 74.74 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.418 1.487 . . . . 63.43 113.195 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.47 -34.35 76.98 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.712 1.257 . . . . 73.44 113.109 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.93 79.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.722 1.209 . . . . 65.25 112.96 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -77.79 -42.99 32.01 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 124.818 1.247 . . . . 65.33 113.906 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.26 65.32 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.337 1.023 . . . . 65.41 111.894 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmmt? -76.82 -37.07 56.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.269 1.427 . . . . 62.15 112.349 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.93 65.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.507 1.299 . . . . 42.34 114.507 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 pt -87.84 -18.84 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 123.919 0.888 . . . . 75.12 112.608 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.17 29.39 9.68 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.272 -1.294 . . . . 70.33 113.393 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.7 146.48 95.81 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 119.512 1.656 . . . . 73.21 109.826 165.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.17 137.49 61.66 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.692 2.261 . . . . 71.41 112.32 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.03 -27.24 63.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.15 1.78 . . . . 74.13 115.088 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.11 -50.56 71.4 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.015 0.926 . . . . 65.14 112.982 168.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.13 -21.54 66.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.044 1.337 . . . . 72.24 113.308 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.72 -61.06 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.85 0.86 . . . . 71.25 109.914 168.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -64.4 -24.26 67.57 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.672 1.73 . . . . 72.51 115.672 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -90.8 -41.27 11.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.296 -0.859 . . . . 74.44 111.262 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.9 -19.51 69.74 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.054 1.312 . . . . 50.4 114.22 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -66.28 -34.51 78.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.834 1.317 . . . . 75.03 113.34 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.95 -17.18 22.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.199 1.4 . . . . 72.31 112.664 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 17.9 mm -72.48 112.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 N-CA-C 108.816 -0.809 . . . . 62.22 108.816 170.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 119.28 10.34 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 124.809 1.318 . . . . 74.41 110.412 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.08 168.24 24.41 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.569 1.168 . . . . 45.33 110.394 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.09 148.41 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.648 1.579 . . . . 70.34 108.092 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -126.26 149.75 48.88 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.171 1.388 . . . . 54.13 109.011 170.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -143.06 109.09 5.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.797 -1.186 . . . . 74.12 107.797 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.25 146.18 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 107.466 -1.309 . . . . 75.4 107.466 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.28 103.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 109.134 -0.691 . . . . 72.01 109.134 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.16 124.78 28.66 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.262 -0.644 . . . . 74.4 109.262 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -126.09 74.23 1.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.136 1.774 . . . . 74.22 106.998 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 -120.87 7.15 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.874 -1.69 . . . . 72.11 108.874 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -25.71 56.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 117.975 -1.012 . . . . 73.11 112.756 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -71.99 147.94 46.42 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.802 0.841 . . . . 54.34 111.586 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 91' ' ' LEU . 39.7 m-85 -141.27 123.27 15.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.202 1.801 . . . . 75.23 109.503 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -91.65 146.07 24.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.531 1.144 . . . . 74.12 110.144 156.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -136.39 100.83 4.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 126.006 1.722 . . . . 74.03 107.853 171.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -95.48 139.63 31.49 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.133 0.896 . . . . 73.11 108.686 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -138.8 133.09 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.025 -1.472 . . . . 71.24 107.025 173.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -130.95 125.29 33.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.301 1.04 . . . . 74.21 108.922 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.17 149.38 4.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.682 1.593 . . . . 71.34 108.935 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 70.18 22.68 77.45 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-O 118.926 -0.93 . . . . 72.42 113.012 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 m 65.67 23.12 11.63 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.4 2.28 . . . . 74.02 114.379 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 151.35 50.45 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.424 1.49 . . . . 75.24 109.472 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.83 141.49 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.904 1.282 . . . . 55.31 108.905 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.99 131.04 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.863 -1.903 . . . . 72.32 105.863 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.83 136.42 54.91 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 124.086 0.866 . . . . 73.31 109.431 167.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -125.14 147.13 49.16 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 125.322 1.639 . . . . 52.35 109.05 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -130.6 137.1 49.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 125.728 1.893 . . . . 44.03 107.992 168.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE2' HG11 ' A' ' 83' ' ' VAL . 52.5 p90 -153.09 170.53 20.26 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.661 1.226 . . . . 73.04 109.964 171.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 m -134.36 127.13 31.04 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.58 137.94 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.672 0.607 . . . . 74.41 111.761 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.39 -13.18 58.69 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.05 1.309 . . . . 74.31 112.334 -172.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -110.04 160.76 16.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.564 1.945 . . . . 65.44 109.412 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -92.72 129.57 38.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.947 0.899 . . . . 71.35 109.984 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.7 m -143.05 156.56 44.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.102 1.361 . . . . 73.13 109.608 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.42 112.98 25.12 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.821 0.848 . . . . 74.34 110.233 -174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -99.19 124.84 44.56 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.943 1.297 . . . . 65.33 110.468 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.6 148.39 27.18 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.709 2.003 . . . . 64.43 110.536 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 p -121.22 172.87 7.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.051 1.341 . . . . 65.2 110.67 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.4 mmt -57.01 -33.16 66.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.114 1.766 . . . . 72.21 114.181 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -75.82 -15.47 60.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.234 1.813 . . . . 54.03 113.611 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.09 60.95 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-O 117.874 -1.514 . . . . 72.11 112.933 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.56 140.46 57.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.852 1.826 . . . . 51.14 111.483 173.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -114.99 133.66 55.84 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 125.184 1.552 . . . . 73.24 107.918 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.78 140.35 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 O-C-N 124.255 0.972 . . . . 52.22 109.565 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -72.14 137.26 46.87 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.158 0.911 . . . . 64.23 111.626 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -165.15 144.94 6.89 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.933 1.395 . . . . 74.41 110.126 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.62 140.17 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.075 0.95 . . . . 71.31 109.092 171.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 63' ' ' PHE . 25.5 t -111.66 139.23 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.186 0.929 . . . . 75.24 108.858 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -113.54 158.26 20.99 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.654 1.581 . . . . 72.33 110.215 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -137.58 137.6 38.71 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.225 1.41 . . . . 74.15 109.046 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.73 159.33 16.84 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.09 1.356 . . . . 65.14 109.657 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.16 21.11 1.8 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.732 1.634 . . . . 74.23 114.179 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.62 22.69 9.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.319 1.848 . . . . 70.11 110.688 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 69.9 30.44 3.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.755 1.622 . . . . 53.43 112.412 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -113.26 148.42 35.61 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.212 1.005 . . . . 75.42 110.346 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 48' ' ' PHE . 33.9 mt -121.7 151.77 40.12 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.546 1.539 . . . . 64.04 108.491 167.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.47 128.39 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 124.492 1.117 . . . . 62.55 108.881 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -146.33 143.26 29.01 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.709 1.204 . . . . 74.54 110.213 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -125.26 120.81 32.25 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.623 0.769 . . . . 73.45 109.89 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -143.92 126.05 15.51 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.413 1.085 . . . . 64.14 109.753 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp 59.4 29.09 18.61 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.009 1.324 . . . . 73.3 113.36 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 t30 72.45 5.5 5.27 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.458 2.303 . . . . 72.01 114.371 -170.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.44 HG12 HD12 ' A' ' 115' ' ' LEU . 27.3 mt -87.0 101.71 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 125.123 1.369 . . . . 73.41 107.889 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -81.75 82.83 7.31 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.251 1.82 . . . . 61.23 109.692 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 t -76.46 137.14 39.5 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.853 0.861 . . . . 34.33 111.62 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -134.75 133.96 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.87 1.668 . . . . 74.23 106.848 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -123.06 153.43 39.9 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.649 1.18 . . . . 45.21 108.882 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -149.67 122.07 8.47 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.647 0.779 . . . . 63.03 110.279 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.8 135.57 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.44 1.496 . . . . 52.4 109.014 168.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.69 81.24 1.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.073 -1.084 . . . . 62.45 108.073 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.15 -104.98 1.66 Allowed Glycine 0 C--N 1.346 1.136 0 N-CA-C 108.815 -1.714 . . . . 44.23 108.815 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -102.57 -2.98 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.384 1.874 . . . . 73.33 112.713 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.1 mm -109.61 137.27 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.527 1.131 . . . . 74.42 109.395 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 50.5 mm -115.02 110.52 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.337 1.055 . . . . 74.32 108.948 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -89.66 141.63 28.43 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.488 1.117 . . . . 74.24 108.821 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -135.94 146.51 47.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.653 1.581 . . . . 72.21 108.18 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.6 m -142.95 142.43 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.932 1.693 . . . . 72.14 107.499 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 47.0 mtt -137.52 122.23 18.66 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.075 0.95 . . . . 62.25 108.771 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 m -113.23 110.76 20.92 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.921 0.763 . . . . 72.1 109.938 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.44 HD12 HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -120.33 107.86 13.46 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.636 -1.246 . . . . 64.34 107.636 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.55 -94.69 0.66 Allowed Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.587 -1.405 . . . . 74.52 109.587 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -124.56 -5.28 7.64 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.47 1.508 . . . . 65.24 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.5 mm -84.4 112.45 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.676 0.791 . . . . 63.52 109.419 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.1 t -100.94 84.46 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.451 1.094 . . . . 43.32 108.112 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.88 144.22 50.76 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.497 1.119 . . . . 72.25 110.683 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -148.27 145.02 28.02 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.437 1.086 . . . . 73.41 109.153 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.73 139.4 29.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.383 1.873 . . . . 63.42 108.292 -163.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.02 124.52 46.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.728 -1.212 . . . . 61.45 107.728 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 m -134.26 154.97 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.462 1.505 . . . . 34.43 109.696 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -144.03 142.98 30.97 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.662 1.185 . . . . 71.15 110.003 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -53.07 135.23 37.69 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 126.61 1.964 . . . . 73.33 114.02 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 124.419 2.057 . . . . 70.3 106.462 176.214 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 44.0 t60 . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 103.069 -2.937 . . . . 73.55 103.069 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.94 94.83 2.88 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.056 0.943 . . . . 73.41 110.154 170.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 66.45 172.63 0.24 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.691 1.996 . . . . 62.12 113.578 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 29.5 m80 65.58 -172.26 0.19 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.331 1.852 . . . . 64.34 113.581 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -144.97 154.84 42.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.11 0.964 . . . . 62.32 111.261 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -145.04 49.59 1.27 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.038 1.335 . . . . 73.1 111.461 -164.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.63 154.15 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 125.01 1.324 . . . . 42.51 112.65 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . 60.34 -162.34 0.26 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.669 1.988 . . . . 75.2 114.068 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 ptm -96.01 45.81 1.08 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.116 0.966 . . . . 75.43 110.179 164.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 167.28 17.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.803 1.241 . . . . 73.21 110.93 164.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -55.89 -25.21 41.62 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.048 1.87 . . . . 74.3 116.048 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -59.01 134.83 57.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.412 1.485 . . . . 73.43 114.995 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.94 177.76 19.11 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 124.688 1.243 . . . . 62.3 110.076 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -102.66 140.24 37.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.739 1.616 . . . . 72.05 109.51 171.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -139.7 109.75 6.45 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.919 1.288 . . . . 73.55 109.856 -173.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -75.15 141.46 43.69 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.966 0.506 . . . . 63.23 111.045 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.24 130.27 38.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.857 2.063 . . . . 73.22 112.658 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -103.43 -58.38 1.88 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.835 1.334 . . . . 70.53 109.908 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -153.25 161.98 41.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.594 1.158 . . . . 65.41 110.963 -170.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -156.33 148.19 22.97 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.371 1.044 . . . . 74.31 110.419 173.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -121.19 142.03 50.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.052 1.741 . . . . 45.34 108.895 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 58.04 36.91 26.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.977 2.111 . . . . 73.35 112.772 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.21 -53.36 57.89 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.786 1.234 . . . . 63.43 112.366 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -40.01 95.07 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.088 1.755 . . . . 73.44 112.437 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.4 85.24 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.569 1.548 . . . . 65.25 112.875 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -75.85 -42.8 48.5 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 124.233 1.013 . . . . 65.33 113.019 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -27.92 67.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.331 1.019 . . . . 65.41 112.493 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.45 -48.29 56.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 62.15 111.601 166.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.37 73.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.916 1.45 . . . . 42.34 114.916 -173.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.85 -17.27 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 N-CA-C 113.567 0.951 . . . . 75.12 113.567 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 18.64 28.99 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 118.094 -1.392 . . . . 70.33 113.182 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.05 140.91 88.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.618 1.709 . . . . 73.21 109.863 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -64.92 143.66 80.19 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.664 2.242 . . . . 71.41 112.109 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.71 -30.55 44.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.202 1.556 . . . . 74.13 115.202 -173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.32 -34.05 74.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.383 -0.818 . . . . 65.14 113.069 177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.92 -20.62 59.63 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 117.88 -1.057 . . . . 72.24 113.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.26 -53.85 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.447 0.699 . . . . 71.25 109.953 171.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -67.47 -22.02 65.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.89 1.441 . . . . 72.51 114.89 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -90.25 -46.69 8.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.643 0.777 . . . . 74.44 110.562 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -19.18 70.29 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.326 1.441 . . . . 50.4 114.562 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.07 -26.44 66.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.888 1.344 . . . . 75.03 113.381 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -110.12 -8.51 14.78 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.945 1.698 . . . . 72.31 113.787 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.652 HG21 ' H ' ' A' ' 55' ' ' GLY . 47.6 mm -75.4 103.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 119.527 1.058 . . . . 62.22 109.159 170.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 98.22 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.275 2.23 . . . . 74.41 111.241 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.18 165.15 54.59 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.382 1.051 . . . . 45.33 111.677 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.24 137.94 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 107.565 -1.272 . . . . 70.34 107.565 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 t -111.21 156.85 20.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.113 1.365 . . . . 54.13 108.637 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -142.21 144.45 33.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.224 -1.398 . . . . 74.12 107.224 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -138.16 151.2 24.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.751 -1.203 . . . . 75.4 107.751 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 t -141.32 140.81 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.317 1.447 . . . . 72.01 107.296 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -123.66 126.08 45.94 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.419 1.088 . . . . 74.4 108.752 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -133.91 70.09 1.46 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.33 1.852 . . . . 74.22 108.063 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.65 -114.51 5.14 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.427 -1.469 . . . . 72.11 109.427 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.06 -29.93 49.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.472 1.109 . . . . 73.11 112.468 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.59 137.98 44.62 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 54.34 110.889 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -124.89 149.92 47.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.654 1.582 . . . . 75.23 108.864 169.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -132.06 132.08 43.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.882 -1.525 . . . . 74.12 106.882 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -115.55 149.58 37.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.303 1.441 . . . . 74.03 109.137 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -130.48 140.67 50.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.321 1.848 . . . . 73.11 106.915 166.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -137.58 122.72 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.2 -1.778 . . . . 71.24 106.2 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -123.09 112.54 17.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.943 1.297 . . . . 74.21 108.484 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.48 139.25 5.56 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.696 1.198 . . . . 71.34 109.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.652 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 84.04 32.07 24.41 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-O 118.755 -1.025 . . . . 72.42 112.284 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t 65.17 28.59 12.12 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.487 1.915 . . . . 74.02 113.213 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 150.91 32.23 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.192 1.397 . . . . 75.24 109.243 -177.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.2 t -110.91 141.47 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.146 1.379 . . . . 55.31 108.549 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.79 135.74 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.076 -1.824 . . . . 72.32 106.076 165.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -123.64 143.52 50.19 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.383 1.073 . . . . 73.31 108.705 165.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -144.59 113.66 6.9 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.811 1.245 . . . . 52.35 109.922 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -79.79 152.24 29.88 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 125.317 1.636 . . . . 44.03 110.409 161.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -163.5 163.34 24.76 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.122 1.369 . . . . 73.04 109.431 161.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -127.16 122.59 34.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.405 -1.332 . . . . 74.33 107.405 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.66 125.83 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 124.096 0.873 . . . . 74.41 110.975 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.07 -11.01 58.68 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-O 117.985 -1.453 . . . . 74.31 111.954 -171.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -119.19 158.19 26.46 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.614 1.707 . . . . 65.44 111.112 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.4 125.26 30.84 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.61 1.194 . . . . 71.35 110.585 169.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.7 m -134.93 154.06 51.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.68 1.592 . . . . 73.13 108.495 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.63 113.32 25.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.368 0.667 . . . . 74.34 111.027 -177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.24 132.9 36.99 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.279 1.432 . . . . 65.33 109.948 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.24 139.8 30.25 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.174 1.39 . . . . 64.43 109.644 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.9 p -100.81 175.12 5.74 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.001 1.321 . . . . 65.2 111.53 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.7 mtt -67.39 -26.49 66.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.69 1.196 . . . . 72.21 114.116 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -78.91 -16.48 56.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.553 1.141 . . . . 54.03 112.891 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.81 5.57 61.15 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.757 -1.024 . . . . 72.11 112.718 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.27 154.25 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.967 1.307 . . . . 51.14 110.855 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -126.21 129.2 48.5 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.218 1.007 . . . . 73.24 108.842 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.3 m -144.49 134.45 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.737 1.215 . . . . 52.22 111.19 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -71.45 143.55 50.03 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.068 1.347 . . . . 64.23 113.03 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -171.49 147.65 2.41 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.071 1.482 . . . . 74.41 110.898 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -77.11 140.05 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.011 . . . . 71.31 110.228 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.52 142.96 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.477 1.11 . . . . 75.24 108.699 170.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -120.2 157.8 28.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.129 1.772 . . . . 72.33 109.01 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -133.96 132.57 40.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.712 1.205 . . . . 74.15 108.991 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -94.43 -171.15 2.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.534 1.534 . . . . 65.14 110.334 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.98 -27.51 33.94 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 119.03 -0.872 . . . . 74.23 112.918 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -91.59 29.38 1.52 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.491 1.517 . . . . 70.11 111.94 -170.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.01 42.89 9.51 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.102 1.761 . . . . 53.43 111.3 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -117.46 121.4 40.94 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.951 0.901 . . . . 75.42 109.588 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.78 149.47 25.72 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.101 0.876 . . . . 64.04 109.277 163.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.6 t -141.79 130.92 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.566 1.166 . . . . 62.55 108.103 172.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 t -160.79 171.6 18.52 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.498 1.519 . . . . 74.54 109.863 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 p -141.54 139.78 33.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.494 1.518 . . . . 73.45 109.346 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -149.77 122.0 8.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.009 0.924 . . . . 64.14 108.659 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.27 42.23 28.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.855 1.662 . . . . 73.3 114.411 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.9 t30 73.17 -3.14 2.52 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.176 1.79 . . . . 72.01 113.789 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.8 mt -91.2 97.72 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.742 -1.207 . . . . 73.41 107.742 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.28 133.14 52.17 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.916 0.886 . . . . 61.23 109.402 164.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 p -135.47 111.6 9.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.513 1.133 . . . . 34.33 109.341 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.88 132.26 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 O-C-N 125.393 1.683 . . . . 74.23 107.315 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.4 m -115.6 150.58 36.44 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.96 -1.126 . . . . 45.21 107.96 167.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -142.64 133.78 25.96 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.881 0.738 . . . . 63.03 110.467 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 141.21 30.73 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.263 1.825 . . . . 52.4 108.275 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -140.66 74.28 1.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.648 -1.242 . . . . 62.45 107.648 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.38 -92.55 0.5 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.143 1.354 . . . . 44.23 110.603 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 4.19 21.86 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.643 1.977 . . . . 73.33 111.917 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.0 mm -117.87 142.65 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.173 1.389 . . . . 74.42 108.245 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.8 mm -124.36 128.59 73.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.416 1.086 . . . . 74.32 108.893 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.4 m -114.26 148.69 37.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.387 . . . . 74.24 108.941 172.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -131.24 150.42 52.15 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.206 1.402 . . . . 72.21 108.365 163.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.5 m -138.66 112.73 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.563 1.545 . . . . 72.14 107.054 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 38.0 mmm -115.42 89.2 3.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.199 1.4 . . . . 62.25 108.329 -173.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -81.99 119.23 23.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.588 1.555 . . . . 72.1 111.334 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -120.3 77.5 1.27 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.759 1.223 . . . . 64.34 107.992 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.89 -112.59 4.95 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.946 1.26 . . . . 74.52 110.332 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.47 -12.6 61.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.455 1.902 . . . . 65.24 113.559 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.69 140.77 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.624 1.17 . . . . 63.52 108.827 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.27 85.69 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.521 -0.918 . . . . 43.32 108.521 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -70.11 145.5 51.54 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.199 0.6 . . . . 72.25 110.536 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -146.01 149.21 33.71 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 107.567 -1.271 . . . . 73.41 107.567 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -146.61 146.14 30.32 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.296 1.438 . . . . 63.42 109.139 -170.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.97 133.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.434 1.493 . . . . 61.45 107.495 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.8 m -136.92 156.23 48.73 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.073 1.749 . . . . 34.43 108.941 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -139.07 141.03 38.21 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.612 1.165 . . . . 71.15 109.144 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.93 137.46 58.03 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.341 1.026 . . . . 73.33 113.409 -170.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 125.392 2.52 . . . . 70.3 107.804 178.213 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 N--CA 1.5 2.071 0 N-CA-C 103.539 -2.763 . . . . 73.55 103.539 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -98.3 148.02 24.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.559 1.144 . . . . 73.41 111.327 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.07 -178.58 0.21 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.983 2.113 . . . . 62.12 112.728 -175.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -115.55 -10.91 11.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.986 0.914 . . . . 64.34 113.444 -172.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -119.23 154.28 33.65 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.269 1.428 . . . . 62.32 108.012 169.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -69.57 136.98 51.99 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 123.839 0.712 . . . . 73.1 111.048 168.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.79 143.47 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 124.842 1.339 . . . . 42.51 108.59 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -127.52 26.52 5.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.7 1.2 . . . . 75.2 111.608 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtp -125.45 66.16 1.15 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.535 1.534 . . . . 75.43 108.529 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -113.37 132.54 55.56 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.302 1.441 . . . . 73.21 108.195 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 41' ' ' ILE . 78.7 m-85 -61.04 -23.37 65.38 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.253 1.575 . . . . 74.3 115.253 -174.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -51.68 124.37 12.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.734 2.014 . . . . 73.43 114.392 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.97 173.11 16.92 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.563 1.078 . . . . 62.3 110.443 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -96.15 142.93 27.74 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.092 1.357 . . . . 72.05 111.595 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -143.47 115.17 8.17 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.204 1.402 . . . . 73.55 108.243 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -72.78 144.06 47.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.738 -0.648 . . . . 63.23 110.567 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.0 125.67 24.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.128 1.371 . . . . 73.22 110.659 170.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.15 -39.92 5.12 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.697 1.248 . . . . 70.53 110.748 -171.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -165.27 163.58 20.05 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.921 1.289 . . . . 65.41 109.484 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.86 158.35 34.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.954 1.302 . . . . 74.31 110.489 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -149.84 134.62 17.71 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.628 1.171 . . . . 45.34 109.147 -171.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 60.45 30.99 20.21 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.11 2.164 . . . . 73.35 112.573 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.3 -52.68 64.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.768 1.227 . . . . 63.43 112.421 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.6 -38.97 92.26 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.455 1.097 . . . . 73.44 113.501 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.03 89.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.613 1.165 . . . . 65.25 112.714 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -73.62 -43.78 58.74 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.419 1.087 . . . . 65.33 113.518 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.494 ' SD ' HD22 ' A' ' 24' ' ' LEU . 4.9 tpp -67.43 -23.69 65.56 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 65.41 112.354 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -80.39 -41.46 24.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.971 0.908 . . . . 62.15 111.381 168.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.604 1.335 . . . . 42.34 114.604 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.525 HD12 HD13 ' A' ' 24' ' ' LEU . 37.5 pt -76.83 -19.54 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.316 1.046 . . . . 75.12 113.509 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 23.3 15.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 117.942 -1.477 . . . . 70.33 113.5 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 HD12 ' A' ' 22' ' ' ILE . 4.0 mp -76.02 144.32 75.51 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 120.069 1.934 . . . . 73.21 109.699 168.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.29 138.41 55.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.856 2.371 . . . . 71.41 112.217 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.0 -20.22 65.74 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.059 1.503 . . . . 74.13 115.059 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.64 -49.81 76.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.644 1.178 . . . . 65.14 112.278 165.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.46 -16.48 62.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.506 1.522 . . . . 72.24 113.404 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -76.98 -50.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.024 0.929 . . . . 71.25 110.64 169.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -63.88 -32.07 73.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.802 1.038 . . . . 72.51 113.802 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -83.29 -41.67 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 74.44 111.894 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.26 -24.81 76.57 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-O 118.662 -1.076 . . . . 50.4 113.44 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -75.15 -29.55 60.51 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.669 1.235 . . . . 75.03 112.117 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.11 -45.68 32.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.953 1.701 . . . . 72.31 111.313 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 10.9 mm -64.53 109.01 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.095 1.358 . . . . 62.22 110.876 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -72.21 102.81 3.16 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.703 1.201 . . . . 74.41 109.776 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.55 179.12 53.31 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.977 1.423 . . . . 45.33 112.284 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.6 t -136.06 144.9 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.504 1.521 . . . . 70.34 109.145 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -115.67 149.48 38.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.374 1.47 . . . . 54.13 108.911 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -136.41 121.0 18.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.776 -1.564 . . . . 74.12 106.776 168.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 3' ' ' PHE . 44.6 mt -112.51 147.73 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.778 -1.193 . . . . 75.4 107.778 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.43 141.56 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 107.537 -1.283 . . . . 72.01 107.537 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -123.17 124.27 42.66 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.446 1.099 . . . . 74.4 108.603 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -129.82 59.77 1.61 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.477 1.911 . . . . 74.22 108.356 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.75 -121.11 6.59 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 108.726 -1.75 . . . . 72.11 108.726 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -27.97 61.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.453 1.101 . . . . 73.11 112.76 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -75.16 144.46 42.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.349 0.66 . . . . 54.34 110.854 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.31 159.45 40.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.575 1.95 . . . . 75.23 109.733 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -138.08 138.02 38.33 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.463 1.102 . . . . 74.12 108.081 168.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.0 96.34 4.32 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.384 1.474 . . . . 74.03 109.346 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -88.61 136.8 32.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.331 1.02 . . . . 73.11 109.486 170.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.1 mt -137.21 133.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.258 -1.386 . . . . 71.24 107.258 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.6 m -126.44 124.38 40.01 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.08 1.352 . . . . 74.21 108.909 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.05 137.04 1.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.773 1.229 . . . . 71.34 109.375 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 75.28 31.94 56.4 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.867 -0.963 . . . . 72.42 112.816 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.5 m 67.72 22.69 8.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.906 2.082 . . . . 74.02 114.346 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 159.99 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.625 1.57 . . . . 75.24 109.451 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.84 136.72 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 124.643 1.215 . . . . 55.31 109.384 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 146.96 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 126.355 1.862 . . . . 72.32 107.952 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -136.79 127.52 27.19 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.176 0.99 . . . . 73.31 110.41 164.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -122.29 93.02 3.85 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.39 1.476 . . . . 52.35 109.592 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -67.92 136.71 54.42 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 124.152 0.907 . . . . 44.03 109.806 157.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -160.08 155.36 25.09 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.281 1.032 . . . . 73.04 109.492 167.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -121.62 127.1 50.49 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.936 -1.135 . . . . 74.33 107.936 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.67 130.93 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.05 0.844 . . . . 74.41 111.094 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.47 -6.91 82.93 Favored Glycine 0 CA--C 1.542 1.728 0 CA-C-O 118.142 -1.366 . . . . 74.31 112.856 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -119.78 162.95 18.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.375 1.588 . . . . 65.44 110.249 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.77 141.45 32.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.976 0.911 . . . . 71.35 110.43 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.75 155.63 37.56 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.086 1.754 . . . . 73.13 108.716 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -85.65 122.14 29.33 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.684 0.615 . . . . 74.34 111.465 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.52 110.74 22.16 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 124.649 1.218 . . . . 65.33 109.239 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.17 102.93 0.43 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.353 1.861 . . . . 64.43 110.357 164.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 p -73.3 174.4 8.14 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.649 1.179 . . . . 65.2 111.636 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.6 mmt -60.77 -26.48 67.28 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.337 1.606 . . . . 72.21 115.337 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -81.51 -13.44 58.12 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.01 1.324 . . . . 54.03 113.25 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.81 -9.85 62.15 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.414 1.483 . . . . 72.11 111.902 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.28 131.63 46.98 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 118.93 1.365 . . . . 51.14 110.944 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.61 140.72 34.48 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.245 0.965 . . . . 73.24 109.885 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.69 138.07 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.984 0.914 . . . . 52.22 110.689 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -64.3 139.8 58.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.829 1.652 . . . . 64.23 113.036 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -170.08 152.63 4.34 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.763 1.289 . . . . 74.41 110.916 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.71 136.75 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.796 1.238 . . . . 71.31 108.948 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 91' ' ' LEU . 45.5 t -110.89 143.76 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.757 1.223 . . . . 75.24 109.174 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 145.36 51.41 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.317 1.047 . . . . 72.33 110.721 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.46 130.26 56.66 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.331 1.453 . . . . 74.15 109.989 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -94.12 160.34 14.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.015 1.326 . . . . 65.14 109.939 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.31 -4.18 42.66 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 124.963 1.268 . . . . 74.23 114.54 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -107.3 37.44 2.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.474 1.91 . . . . 70.11 111.947 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.95 29.23 10.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.942 1.697 . . . . 53.43 113.334 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -127.62 119.44 25.91 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.219 0.608 . . . . 75.42 111.568 -166.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 83' ' ' VAL . 4.0 mm? -82.79 150.03 26.86 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.699 1.25 . . . . 64.04 110.094 166.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.3 t -134.25 126.65 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.02 -1.474 . . . . 62.55 107.02 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.1 t -148.21 153.23 38.48 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.408 1.483 . . . . 74.54 109.867 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.8 m -137.68 131.34 31.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.453 0.701 . . . . 73.45 110.731 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.0 127.79 11.73 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.134 0.974 . . . . 64.14 110.132 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 50.0 45.68 25.05 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.838 1.655 . . . . 73.3 114.594 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 75.39 2.62 3.88 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.147 1.779 . . . . 72.01 113.999 -176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mt -103.53 102.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.994 1.318 . . . . 73.41 108.809 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -83.3 108.58 16.6 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.65 0.78 . . . . 61.23 109.542 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 t -99.36 142.41 30.88 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.503 1.521 . . . . 34.33 110.829 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.56 121.84 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.051 1.34 . . . . 74.23 107.628 174.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.1 m -99.52 152.7 19.71 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.502 1.126 . . . . 45.21 109.259 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -138.94 131.09 28.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.829 1.652 . . . . 63.03 107.327 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.62 136.36 35.01 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.52 -1.289 . . . . 52.4 107.52 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.5 72.92 1.33 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.591 -0.892 . . . . 62.45 108.591 -176.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.69 -118.55 6.59 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 108.627 -1.789 . . . . 44.23 108.627 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.92 5.98 37.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.782 1.633 . . . . 73.33 112.83 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.5 mm -112.31 149.29 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.361 1.464 . . . . 74.42 108.727 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.1 mm -126.15 134.23 66.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.502 1.121 . . . . 74.32 108.34 167.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.8 m -111.19 140.63 45.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.645 -0.872 . . . . 74.24 108.645 166.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -133.82 108.4 8.44 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.466 1.507 . . . . 72.21 108.344 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -104.9 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.297 1.439 . . . . 72.14 109.491 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 48.9 mtt -135.87 161.17 36.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.852 1.661 . . . . 62.25 109.63 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 94.3 m -149.16 108.43 3.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.603 0.761 . . . . 72.1 110.367 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -117.3 102.4 9.22 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.096 1.758 . . . . 64.34 109.436 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.47 -111.32 3.6 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.091 -1.603 . . . . 74.52 109.091 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -106.23 3.94 28.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.863 1.665 . . . . 65.24 113.407 168.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.9 mm -93.99 90.72 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 109.158 -0.682 . . . . 63.52 109.158 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -74.73 131.12 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.313 -0.995 . . . . 43.32 108.313 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -118.74 148.9 42.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.372 1.869 . . . . 72.25 108.488 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 tmmt? -148.77 141.22 24.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.765 0.666 . . . . 73.41 109.812 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -138.11 150.16 46.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.322 1.849 . . . . 63.42 108.583 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.37 135.74 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.749 -1.574 . . . . 61.45 106.749 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.2 m -127.14 157.67 39.11 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.967 1.707 . . . . 34.43 109.039 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -144.05 145.34 32.12 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.884 0.874 . . . . 71.15 109.823 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -55.84 139.17 46.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.52 1.928 . . . . 73.33 113.699 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 105.533 -2.025 . . . . 70.3 105.533 177.349 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 N--CA 1.501 2.077 0 N-CA-C 103.266 -2.864 . . . . 73.55 103.266 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -157.75 -43.83 0.06 Allowed 'General case' 0 C--N 1.346 0.423 0 C-N-CA 123.675 0.79 . . . . 73.41 111.551 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 62.96 -169.23 0.19 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.358 1.863 . . . . 62.12 113.194 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -146.49 59.4 1.21 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 64.34 109.165 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.8 p80 53.2 20.58 1.88 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.036 2.535 . . . . 62.32 116.658 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.7 m170 70.87 104.9 0.06 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.138 2.175 . . . . 73.1 109.406 -163.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 17.6 m -87.64 171.09 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.041 0.936 . . . . 42.51 111.304 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -58.66 162.95 3.55 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.471 1.508 . . . . 75.2 113.05 171.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm -70.77 43.58 0.07 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.365 1.866 . . . . 75.43 113.956 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -83.81 144.52 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.615 1.166 . . . . 73.21 110.065 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -63.85 -20.95 66.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.726 1.21 . . . . 74.3 113.662 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.7 p -50.03 110.13 0.36 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.587 2.355 . . . . 73.43 113.925 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.24 170.46 24.85 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.399 -1.08 . . . . 62.3 110.399 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -109.19 141.93 40.73 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.392 1.477 . . . . 72.05 109.414 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -136.29 162.59 32.56 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.939 1.696 . . . . 73.55 109.988 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -137.74 142.93 40.98 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.651 0.78 . . . . 63.23 109.915 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.17 117.99 2.94 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.684 2.794 . . . . 73.22 112.256 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -94.88 -44.08 7.9 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 125.064 1.478 . . . . 70.53 110.517 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -164.57 160.08 19.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.643 1.177 . . . . 65.41 110.704 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.62 147.47 17.17 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.39 1.076 . . . . 74.31 110.947 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.9 140.14 50.14 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.149 1.78 . . . . 45.34 108.384 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 57.78 37.96 27.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.24 1.816 . . . . 73.35 113.03 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.2 -52.52 64.96 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.122 0.969 . . . . 63.43 113.329 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.42 -30.93 71.4 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.682 1.239 . . . . 73.44 113.199 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.83 82.34 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.489 1.116 . . . . 65.25 112.601 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -75.81 -43.46 46.03 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.633 1.173 . . . . 65.33 113.466 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -26.96 66.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.537 1.135 . . . . 65.41 112.661 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -74.77 -43.27 55.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.154 1.381 . . . . 62.15 112.101 168.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.96 79.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 42.34 114.581 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.432 HD12 HD13 ' A' ' 24' ' ' LEU . 45.5 pt -72.22 -23.48 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-O 118.059 -0.972 . . . . 75.12 113.601 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 21.77 15.44 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 118.171 -1.349 . . . . 70.33 112.952 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 22' ' ' ILE . 1.8 mp -71.22 141.69 86.39 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 119.481 1.64 . . . . 73.21 109.361 167.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -64.6 142.19 76.43 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.269 1.98 . . . . 71.41 111.872 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.14 -24.7 56.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 74.13 114.749 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.46 -48.59 80.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.411 1.484 . . . . 65.14 112.394 170.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.0 -15.57 60.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 72.24 113.684 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.74 -52.75 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.366 0.666 . . . . 71.25 109.748 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -67.42 -27.81 67.37 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.347 1.24 . . . . 72.51 114.347 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -82.02 -47.17 12.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.004 0.922 . . . . 74.44 111.737 172.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.21 -20.42 79.65 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.403 -1.221 . . . . 50.4 114.301 -170.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -65.68 -31.5 72.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.873 1.336 . . . . 75.03 113.593 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -91.03 -19.52 23.1 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.697 1.599 . . . . 72.31 111.871 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.84 142.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.55 1.54 . . . . 62.22 111.994 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -77.62 67.05 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.783 1.633 . . . . 74.41 109.331 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.63 138.86 48.85 Favored Glycine 0 C--N 1.347 1.186 0 C-N-CA 125.806 1.67 . . . . 45.33 111.261 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.54 143.72 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.776 0.83 . . . . 70.34 109.191 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -124.01 154.4 39.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.638 1.175 . . . . 54.13 108.974 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -141.45 141.29 33.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.048 -2.205 . . . . 74.12 105.048 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mt -133.63 139.62 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 107.034 -1.469 . . . . 75.4 107.034 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.32 139.66 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.013 -1.476 . . . . 72.01 107.013 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.02 111.85 17.08 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.808 -1.182 . . . . 74.4 107.808 172.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -119.64 68.55 0.82 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.297 1.839 . . . . 74.22 107.935 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.7 -122.42 8.38 Favored Glycine 0 CA--C 1.533 1.166 0 N-CA-C 109.337 -1.505 . . . . 72.11 109.337 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -71.11 -32.26 68.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 73.11 112.47 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -72.95 140.07 47.18 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.058 0.849 . . . . 54.34 110.61 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -125.73 153.65 43.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.776 1.63 . . . . 75.23 109.05 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -129.43 147.68 51.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.524 1.14 . . . . 74.12 108.062 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -119.24 150.01 40.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 124.771 1.294 . . . . 74.03 108.359 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -129.15 136.04 49.65 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.429 -1.693 . . . . 73.11 106.429 163.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.69 110.52 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.102 -1.444 . . . . 71.24 107.102 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -105.46 137.51 43.16 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.295 1.438 . . . . 74.21 109.946 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.05 -163.65 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.226 1.41 . . . . 71.34 110.18 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.03 -19.71 51.74 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.998 1.761 . . . . 72.42 116.312 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.0 p -163.12 22.7 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.867 1.333 . . . . 74.02 112.711 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 157.61 39.99 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.496 0.718 . . . . 75.24 111.371 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.11 129.69 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 125.18 1.392 . . . . 55.31 108.312 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mt -105.84 146.84 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 126.02 1.728 . . . . 72.32 107.049 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -137.13 141.56 42.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.654 0.782 . . . . 73.31 110.721 165.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -128.5 95.12 4.04 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.886 1.275 . . . . 52.35 108.864 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -73.23 131.92 42.55 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.103 0.877 . . . . 44.03 108.978 160.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.59 165.19 31.16 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.045 0.841 . . . . 73.04 110.839 171.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -129.73 133.0 46.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.467 1.107 . . . . 74.33 108.42 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 135.4 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 123.851 0.72 . . . . 74.41 111.932 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.96 7.45 88.51 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.918 1.247 . . . . 74.31 112.937 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.56 148.65 52.38 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.725 1.61 . . . . 65.44 109.846 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.2 127.3 32.17 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.836 0.71 . . . . 71.35 111.025 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.0 m -143.6 149.2 37.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.522 1.529 . . . . 73.13 109.268 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -80.96 113.63 19.3 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.18 0.592 . . . . 74.34 111.775 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.49 124.05 34.16 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.665 1.228 . . . . 65.33 108.496 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -77.31 129.66 36.15 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.654 1.221 . . . . 64.43 109.806 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 p -92.18 164.51 13.54 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.237 1.015 . . . . 65.2 110.424 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.9 mtt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 115.458 1.651 . . . . 72.21 115.458 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 p -77.53 -8.54 57.97 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.025 1.33 . . . . 54.03 114.229 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.57 15.81 57.8 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-O 118.769 -1.017 . . . . 72.11 112.25 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.59 160.18 26.52 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.609 1.205 . . . . 51.14 110.032 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -132.67 137.5 46.98 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.779 0.832 . . . . 73.24 109.358 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.2 m -145.52 138.27 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 124.288 0.993 . . . . 52.22 111.401 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.24 134.27 44.24 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.216 1.806 . . . . 64.23 111.259 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -165.93 151.6 8.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.094 0.957 . . . . 74.41 111.167 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -98.61 122.2 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.453 1.101 . . . . 71.31 109.33 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.43 146.34 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 124.275 0.985 . . . . 75.24 108.841 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -124.73 155.09 39.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.56 1.144 . . . . 72.33 109.501 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 tt -122.56 125.76 46.36 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.445 1.091 . . . . 74.15 109.339 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -90.1 156.04 18.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.882 1.673 . . . . 65.14 109.041 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.87 3.63 9.27 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.955 1.264 . . . . 74.23 114.823 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -107.73 27.25 9.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.835 2.054 . . . . 70.11 112.344 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.91 27.36 2.14 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.643 1.977 . . . . 53.43 112.779 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -126.2 120.54 30.31 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.429 0.691 . . . . 75.42 112.535 -162.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -90.75 141.28 28.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.216 1.406 . . . . 64.04 109.509 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.49 135.43 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.933 1.293 . . . . 62.55 109.347 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -160.69 171.99 17.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.921 1.288 . . . . 74.54 111.299 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.3 p -139.43 143.57 37.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.315 1.846 . . . . 73.45 108.58 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -155.01 116.31 4.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.133 0.973 . . . . 64.14 109.611 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 56.74 38.46 29.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.591 1.556 . . . . 73.3 113.53 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.72 1.58 3.46 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.528 1.931 . . . . 72.01 114.237 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.16 89.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 107.461 -1.311 . . . . 73.41 107.461 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.63 136.51 56.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.115 1.766 . . . . 61.23 108.857 165.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -140.32 129.65 23.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.082 0.953 . . . . 34.33 108.57 -173.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.17 128.05 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.356 -1.72 . . . . 74.23 106.356 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 m -120.47 125.73 48.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.901 -1.148 . . . . 45.21 107.901 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -121.74 121.19 36.72 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.446 1.091 . . . . 63.03 109.952 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 tp -83.25 127.49 33.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.824 1.25 . . . . 52.4 109.173 168.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -127.92 80.66 1.97 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.064 -1.458 . . . . 62.45 107.064 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.97 -100.71 0.72 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.496 1.046 . . . . 44.23 110.564 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.69 -4.7 40.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.909 1.684 . . . . 73.33 112.407 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.83 143.84 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.814 1.246 . . . . 74.42 109.022 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -120.25 109.12 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.668 1.187 . . . . 74.32 108.015 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -90.1 137.21 32.53 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.291 0.994 . . . . 74.24 108.433 168.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -125.85 137.36 53.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.43 1.492 . . . . 72.21 107.549 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.3 m -130.43 117.41 19.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.597 -1.631 . . . . 72.14 106.597 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.2 mmm -114.44 136.96 52.43 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.588 -1.264 . . . . 62.25 107.588 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.3 m -134.33 118.89 18.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.23 0.612 . . . . 72.1 109.639 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -120.5 99.35 6.5 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.171 -1.788 . . . . 64.34 106.171 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.61 -123.67 22.91 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 109.386 -1.486 . . . . 74.52 109.386 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.88 -19.45 40.88 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.674 1.19 . . . . 65.24 112.436 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.17 98.92 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.556 0.743 . . . . 63.52 110.305 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.17 107.3 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 124.541 1.15 . . . . 43.32 108.239 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -91.43 134.03 34.97 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 72.25 108.767 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -121.18 143.16 49.27 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.292 -1.373 . . . . 73.41 107.292 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.37 136.62 28.04 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.417 1.887 . . . . 63.42 107.65 -173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.66 130.0 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.034 -1.469 . . . . 61.45 107.034 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.1 m -133.12 154.85 50.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.606 1.562 . . . . 34.43 108.879 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -141.94 147.19 36.62 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.082 0.953 . . . . 71.15 109.744 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -56.54 134.34 54.14 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.655 1.982 . . . . 73.33 114.218 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 104.157 -2.534 . . . . 70.3 104.157 174.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 N--CA 1.502 2.143 0 N-CA-C 104.342 -2.466 . . . . 73.55 104.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 50.17 24.05 1.34 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 130.013 3.325 . . . . 73.41 117.835 164.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -153.35 -74.1 0.13 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.337 -0.84 . . . . 62.12 110.274 -169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 64.77 70.21 0.48 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.341 1.856 . . . . 64.34 111.469 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -134.95 -73.53 0.47 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.906 1.283 . . . . 62.32 110.038 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.99 143.42 57.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.386 1.074 . . . . 73.1 112.758 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.91 146.66 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 125.462 1.505 . . . . 42.51 109.374 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -137.18 -175.11 3.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.961 1.305 . . . . 75.2 111.055 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptm -72.88 30.82 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.857 2.063 . . . . 75.43 114.623 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -75.78 132.21 40.29 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.743 -0.836 . . . . 73.21 108.743 167.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.21 -17.91 59.6 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.272 1.212 . . . . 74.3 114.272 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -56.78 141.85 42.85 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.947 1.699 . . . . 73.43 114.775 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.61 171.76 12.98 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.109 1.338 . . . . 62.3 110.889 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -81.48 141.92 33.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.467 1.507 . . . . 72.05 110.637 171.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -141.15 112.57 7.47 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.021 1.328 . . . . 73.55 107.849 173.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 127' ' ' ILE . 10.0 tt0 -63.19 143.63 57.62 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 118.729 -0.653 . . . . 63.23 109.812 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tt -72.28 129.71 39.06 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.036 0.835 . . . . 73.22 109.621 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -96.27 -55.24 3.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 124.166 0.916 . . . . 70.53 110.606 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -161.04 162.33 31.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.683 1.193 . . . . 65.41 110.716 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -155.8 139.65 16.22 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 124.349 1.031 . . . . 74.31 111.633 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.7 143.82 45.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.466 1.906 . . . . 45.34 109.78 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.28 33.55 22.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.217 2.207 . . . . 73.35 112.28 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.36 -48.42 75.6 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.564 1.146 . . . . 63.43 112.756 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -62.29 -41.3 98.37 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.366 1.467 . . . . 73.44 111.742 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.53 84.24 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.555 1.542 . . . . 65.25 113.155 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.56 -42.05 53.22 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.759 1.224 . . . . 65.33 113.594 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.7 64.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.295 1.038 . . . . 65.41 112.214 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -75.84 -38.98 57.49 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.995 1.318 . . . . 62.15 112.094 169.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.89 71.97 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.415 1.265 . . . . 42.34 114.415 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 HD13 ' A' ' 24' ' ' LEU . 41.9 pt -76.02 -22.21 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 113.363 0.875 . . . . 75.12 113.363 172.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 23.98 13.49 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.185 -1.342 . . . . 70.33 113.141 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 22' ' ' ILE . 2.7 mp -69.95 143.88 92.36 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.633 1.716 . . . . 73.21 109.386 166.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -64.78 137.98 56.21 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.423 2.082 . . . . 71.41 111.89 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -51.28 -31.73 22.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.59 1.556 . . . . 74.13 114.479 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.61 -49.63 75.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.037 1.335 . . . . 65.14 112.08 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.38 -17.17 60.85 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.801 1.241 . . . . 72.24 114.182 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.6 mt -72.89 -54.96 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.831 0.741 . . . . 71.25 109.886 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -69.7 -25.21 63.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.008 1.114 . . . . 72.51 114.008 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -83.56 -38.14 22.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.386 1.074 . . . . 74.44 111.98 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.32 -22.91 61.82 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 118.342 -1.254 . . . . 50.4 113.749 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -62.56 -34.35 76.77 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.915 1.358 . . . . 75.03 113.633 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.04 -20.7 37.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.968 1.707 . . . . 72.31 112.98 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -90.97 98.4 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.208 1.003 . . . . 62.22 108.947 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -77.88 105.36 9.02 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.605 -0.887 . . . . 74.41 108.605 169.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.36 -152.54 20.94 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.517 1.136 . . . . 45.33 111.221 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.9 t -137.56 144.71 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.608 . . . . 70.34 108.978 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -112.04 150.25 30.91 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.394 1.478 . . . . 54.13 108.435 167.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -145.98 121.11 10.12 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.417 -0.957 . . . . 74.12 108.417 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mt -117.51 150.14 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 124.52 1.138 . . . . 75.4 108.319 -168.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.14 95.82 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 108.962 -0.755 . . . . 72.01 108.962 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -75.23 132.1 40.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.256 0.622 . . . . 74.4 110.116 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -132.99 66.13 1.57 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.283 2.233 . . . . 74.22 107.234 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.37 -105.2 1.37 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.259 -1.536 . . . . 72.11 109.259 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -31.69 54.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.641 1.176 . . . . 73.11 112.944 175.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -78.83 152.08 31.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.681 0.673 . . . . 54.34 111.814 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -144.77 124.36 13.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.973 2.109 . . . . 75.23 108.6 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -100.4 143.93 30.0 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.12 108.089 165.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -136.26 108.38 7.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.488 1.515 . . . . 74.03 109.339 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -101.81 139.92 36.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.491 1.116 . . . . 73.11 108.696 169.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.33 119.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.123 -1.436 . . . . 71.24 107.123 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -124.24 109.18 13.08 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.392 1.077 . . . . 74.21 108.972 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.41 134.75 9.36 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.902 0.881 . . . . 71.34 110.233 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 20.98 58.78 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 118.56 -1.133 . . . . 72.42 112.86 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t 69.73 39.67 1.46 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.912 2.085 . . . . 74.02 112.648 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 153.8 39.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.771 1.628 . . . . 75.24 108.491 172.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.33 137.12 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 124.677 1.235 . . . . 55.31 109.008 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.94 141.82 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 127.09 2.156 . . . . 72.32 106.747 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -139.41 137.7 35.88 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.854 0.861 . . . . 73.31 111.121 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -136.32 141.79 43.82 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.627 1.971 . . . . 52.35 108.78 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -131.84 138.87 48.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.623 1.569 . . . . 44.03 107.838 169.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -160.34 153.35 21.56 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.267 1.027 . . . . 73.04 111.305 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -112.24 122.69 48.44 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.903 -1.147 . . . . 74.33 107.903 172.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.94 131.74 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 123.898 0.749 . . . . 74.41 111.962 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -14.91 64.42 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.357 1.456 . . . . 74.31 112.41 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -118.43 160.37 21.83 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.073 1.436 . . . . 65.44 110.618 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.34 137.9 46.94 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.885 0.741 . . . . 71.35 110.628 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.05 -176.79 5.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 73.13 107.899 167.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -125.57 112.21 15.93 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.357 -0.979 . . . . 74.34 108.357 -170.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.29 128.46 35.48 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 124.547 1.155 . . . . 65.33 110.412 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.7 148.41 40.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.625 1.97 . . . . 64.43 110.021 164.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.1 p -117.89 175.24 5.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.469 1.108 . . . . 65.2 110.655 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.0 mmt -61.55 -31.98 72.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.161 1.784 . . . . 72.21 113.737 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.7 p -83.53 -7.0 59.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.487 1.515 . . . . 54.03 112.835 171.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.68 65.06 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.443 1.497 . . . . 72.11 112.757 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.21 126.21 26.57 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.104 1.452 . . . . 51.14 111.397 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -96.3 142.76 28.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.413 1.071 . . . . 73.24 110.721 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.05 139.65 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.74 1.216 . . . . 52.22 110.552 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.4 141.78 45.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.866 1.267 . . . . 64.23 112.259 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -173.62 164.38 4.44 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.291 1.436 . . . . 74.41 110.701 -173.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.01 143.31 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.129 1.372 . . . . 71.31 108.788 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.88 146.41 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.476 -0.935 . . . . 75.24 108.476 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -129.01 142.46 50.91 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.587 1.155 . . . . 72.33 109.742 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.4 tp -111.76 130.25 55.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.88 1.272 . . . . 74.15 109.549 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.4 168.17 11.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.167 1.787 . . . . 65.14 110.737 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.9 15.71 19.46 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.992 1.282 . . . . 74.23 113.96 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -135.75 39.71 2.79 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.033 1.416 . . . . 70.11 109.496 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.54 21.27 11.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.07 1.748 . . . . 53.43 113.788 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -115.45 129.82 56.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.227 1.011 . . . . 75.42 111.13 -168.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.4 mt -98.58 152.49 19.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.36 1.064 . . . . 64.04 109.567 167.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.55 139.45 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.848 1.259 . . . . 62.55 109.083 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -157.22 -173.2 4.32 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.784 1.634 . . . . 74.54 110.349 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 p -150.63 143.25 24.48 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.687 1.995 . . . . 73.45 108.406 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -160.03 124.82 3.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.994 0.918 . . . . 64.14 109.832 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? 54.76 40.3 31.85 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.994 1.717 . . . . 73.3 113.646 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t30 72.99 -2.41 2.73 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.202 2.201 . . . . 72.01 114.169 -173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.7 mt -83.37 97.41 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.399 1.079 . . . . 73.41 108.488 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -65.28 112.6 3.54 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.702 1.601 . . . . 61.23 108.976 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 p -120.58 125.72 48.5 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 124.342 1.026 . . . . 34.33 110.123 -166.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -133.78 133.9 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.75 1.62 . . . . 74.23 107.888 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 m -128.23 154.73 45.53 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.857 1.263 . . . . 45.21 109.322 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -146.61 123.64 11.41 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.062 0.945 . . . . 63.03 110.08 174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.0 tp -80.74 140.84 35.33 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.375 1.047 . . . . 52.4 109.176 161.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.19 76.99 1.47 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.269 -1.011 . . . . 62.45 108.269 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.44 -94.22 1.04 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.141 -1.583 . . . . 44.23 109.141 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -116.12 1.63 13.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.845 2.058 . . . . 73.33 112.839 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -102.17 144.99 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.216 1.006 . . . . 74.42 108.299 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.3 mm -121.19 115.87 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 107.924 -1.139 . . . . 74.32 107.924 169.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -93.02 144.49 25.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.962 0.905 . . . . 74.24 108.713 168.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -131.41 148.97 52.71 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.962 1.305 . . . . 72.21 108.303 165.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.2 m -141.55 125.38 17.03 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.213 1.405 . . . . 72.14 107.875 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.5 mmt -120.95 113.46 20.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.042 1.337 . . . . 62.25 108.165 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.2 m -110.7 106.29 15.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.29 1.036 . . . . 72.1 109.461 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -110.63 88.88 2.88 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.452 1.501 . . . . 64.34 108.266 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.8 -113.6 5.75 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 124.535 1.147 . . . . 74.52 110.771 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.46 0.78 28.06 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.365 2.266 . . . . 65.24 114.595 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 27.6 mm -109.76 141.51 24.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.593 1.157 . . . . 63.52 109.336 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.66 83.91 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.399 1.08 . . . . 43.32 108.701 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -72.86 142.65 47.96 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.816 1.246 . . . . 72.25 110.293 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -147.0 137.16 23.41 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.047 0.842 . . . . 73.41 108.84 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -129.84 153.93 47.77 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.306 1.442 . . . . 63.42 111.543 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.95 137.26 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.717 1.607 . . . . 61.45 107.327 170.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 m -136.65 154.35 50.66 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.384 1.874 . . . . 34.43 108.824 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -143.64 135.66 26.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.998 0.919 . . . . 71.15 109.312 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.62 131.09 47.86 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.448 1.499 . . . . 73.33 113.542 -173.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 8' ' ' GLN . 17.8 pt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 124.97 2.319 . . . . 70.3 107.066 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 . . . . . 0 N--CA 1.501 2.099 0 CA-C-O 118.021 -0.99 . . . . 73.55 109.089 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.35 -34.3 28.53 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 113.277 0.843 . . . . 73.41 113.277 -167.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -70.87 -14.79 62.52 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.15 1.167 . . . . 62.12 114.15 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -73.34 -28.38 62.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.804 1.242 . . . . 64.34 112.211 170.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -78.72 81.75 5.0 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.236 1.414 . . . . 62.32 110.404 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -91.42 17.39 8.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.073 1.349 . . . . 73.1 111.079 163.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 22.8 m -64.17 102.68 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 126.777 2.031 . . . . 42.51 111.142 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -113.83 31.47 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.411 1.484 . . . . 75.2 111.701 -172.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm -120.34 47.59 1.74 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.518 1.527 . . . . 75.43 109.791 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -90.49 133.65 34.9 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.259 1.424 . . . . 73.21 109.643 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -63.71 -21.04 66.19 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.272 1.582 . . . . 74.3 115.272 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.5 p -59.85 133.3 55.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.595 1.558 . . . . 73.43 114.004 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.24 -175.15 31.8 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 109.841 -1.304 . . . . 62.3 109.841 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.6 139.34 53.96 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.452 1.501 . . . . 72.05 109.057 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -143.88 123.64 13.4 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.264 1.426 . . . . 73.55 110.054 -167.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.45 139.97 34.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.7 0.682 . . . . 63.23 109.347 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.11 124.83 21.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.346 1.858 . . . . 73.22 110.81 168.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -95.7 -44.58 7.39 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.289 1.436 . . . . 70.53 111.047 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -160.87 162.84 32.28 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.853 1.261 . . . . 65.41 110.952 -171.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -154.17 152.75 30.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.748 1.219 . . . . 74.31 110.567 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -136.28 143.39 44.19 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.349 1.46 . . . . 45.34 110.537 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 58.64 31.33 20.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.456 2.303 . . . . 73.35 112.46 -173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.67 -48.68 80.7 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.948 1.699 . . . . 63.43 112.911 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.83 -32.8 69.96 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 124.462 1.101 . . . . 73.44 113.439 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.72 79.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.032 0.933 . . . . 65.25 112.838 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -78.26 -44.33 25.79 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.531 1.532 . . . . 65.33 113.351 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -25.6 62.34 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.38 1.05 . . . . 65.41 112.344 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -74.25 -39.34 63.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.479 1.112 . . . . 62.15 111.829 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.01 73.36 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.458 1.281 . . . . 42.34 114.458 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.8 pt -79.58 -12.66 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 N-CA-C 113.81 1.041 . . . . 75.12 113.81 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.17 22.75 36.96 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.295 -1.281 . . . . 70.33 113.072 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.64 138.97 85.98 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.343 1.572 . . . . 73.21 108.527 164.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -65.03 145.47 85.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.026 1.817 . . . . 71.41 111.977 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -50.85 -30.01 13.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.417 1.887 . . . . 74.13 114.55 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.8 -50.44 73.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.365 1.866 . . . . 65.14 112.888 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.0 -23.76 63.19 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.647 1.579 . . . . 72.24 112.947 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.9 mt -73.3 -51.41 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 123.925 0.89 . . . . 71.25 110.758 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -66.45 -24.81 66.49 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.318 1.229 . . . . 72.51 114.318 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -79.42 -50.46 10.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 74.44 111.823 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.38 -19.17 75.86 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.264 1.412 . . . . 50.4 114.381 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.79 -33.94 75.81 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.882 1.341 . . . . 75.03 112.982 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -85.8 -39.29 17.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.463 1.505 . . . . 72.31 110.395 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG21 ' H ' ' A' ' 55' ' ' GLY . 25.5 mm -66.15 105.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.508 1.123 . . . . 62.22 110.149 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 113.0 5.89 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.355 1.034 . . . . 74.41 109.136 168.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.03 171.44 48.27 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 124.169 0.918 . . . . 45.33 111.442 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.78 124.82 54.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.164 -1.421 . . . . 70.34 107.164 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -105.3 143.91 32.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.67 1.588 . . . . 54.13 108.614 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.28 133.34 31.11 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.682 -1.229 . . . . 74.12 107.682 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.08 147.76 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.605 1.191 . . . . 75.4 108.234 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.44 149.62 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.358 1.463 . . . . 72.01 107.502 173.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -135.53 98.35 3.92 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.404 1.082 . . . . 74.4 108.613 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -103.39 73.81 1.23 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.271 1.828 . . . . 74.22 108.232 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 -119.35 7.31 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 108.813 -1.715 . . . . 72.11 108.813 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.26 -25.04 46.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.225 1.01 . . . . 73.11 112.606 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.1 140.33 47.08 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.159 0.584 . . . . 54.34 111.267 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.56 141.57 51.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.209 1.804 . . . . 75.23 109.481 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -112.16 144.82 40.91 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.354 -1.35 . . . . 74.12 107.354 164.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -138.9 89.64 2.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.737 1.615 . . . . 74.03 107.614 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 79.1 m -85.27 128.66 34.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.946 0.898 . . . . 73.11 108.726 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.28 115.19 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.152 -1.055 . . . . 71.24 108.152 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -101.04 131.85 46.73 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.22 1.008 . . . . 74.21 108.952 171.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.53 137.88 0.66 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.468 1.507 . . . . 71.34 108.563 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 66.91 37.41 92.17 Favored Glycine 0 CA--C 1.539 1.579 0 O-C-N 124.115 0.885 . . . . 72.42 111.752 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m 75.67 -34.91 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.208 3.003 . . . . 74.02 114.981 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 162.2 24.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.869 1.268 . . . . 75.24 112.608 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -124.7 125.02 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 124.74 1.275 . . . . 55.31 109.385 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 mt -93.39 143.26 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.404 1.882 . . . . 72.32 107.344 168.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -135.4 93.08 2.92 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.801 0.84 . . . . 73.31 109.623 171.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -74.31 137.23 42.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.442 1.097 . . . . 52.35 109.923 168.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.42 126.53 29.73 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.794 1.638 . . . . 44.03 107.23 174.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -159.23 159.08 33.76 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 124.315 1.01 . . . . 73.04 112.017 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 m -120.72 124.3 44.81 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.697 1.199 . . . . 74.33 108.333 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.5 134.46 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 124.119 0.887 . . . . 74.41 111.738 -176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.33 -12.76 61.8 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.182 1.373 . . . . 74.31 112.497 -173.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -111.48 160.14 17.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.566 1.546 . . . . 65.44 109.938 173.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.2 131.69 36.28 Favored 'General case' 0 C--N 1.345 0.388 0 O-C-N 123.867 0.73 . . . . 71.35 109.703 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 m -143.21 175.28 10.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.14 1.776 . . . . 73.13 108.137 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -115.86 109.34 17.49 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.871 0.468 . . . . 74.34 110.363 -169.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.28 129.52 35.01 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.063 1.345 . . . . 65.33 110.744 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -70.99 153.36 42.7 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.089 1.493 . . . . 64.43 110.764 161.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -116.44 173.55 6.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.647 1.179 . . . . 65.2 111.002 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.5 mmm -58.97 -28.94 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.467 1.507 . . . . 72.21 114.075 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -90.31 -2.33 57.99 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.381 1.472 . . . . 54.03 113.433 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.04 19.74 66.61 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 119.163 -0.799 . . . . 72.11 112.469 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.25 164.64 15.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.654 1.581 . . . . 51.14 109.198 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -133.62 138.58 46.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.072 0.949 . . . . 73.24 110.722 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 143.55 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 52.22 110.964 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -79.73 140.29 37.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.979 1.312 . . . . 64.23 112.411 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.7 t -167.27 150.34 6.29 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.112 1.365 . . . . 74.41 111.288 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.16 109.81 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.303 1.041 . . . . 71.31 108.661 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -81.92 146.5 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 123.855 0.722 . . . . 75.24 109.662 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -120.31 159.61 24.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.404 1.482 . . . . 72.33 110.541 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.2 tt -136.53 129.21 30.59 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.119 1.368 . . . . 74.15 108.835 175.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.81 171.52 9.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.042 1.337 . . . . 65.14 111.377 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.24 0.4 87.66 Favored Glycine 0 CA--C 1.543 1.811 0 CA-C-O 118.526 -1.152 . . . . 74.23 113.038 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -114.1 40.0 2.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.096 1.759 . . . . 70.11 111.678 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.324 0.3 OUTLIER 50.62 44.0 27.52 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.112 2.165 . . . . 53.43 114.142 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -132.41 146.12 51.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.679 1.592 . . . . 75.42 110.761 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CD2' HD12 ' A' ' 85' ' ' LEU . 26.1 mt -113.96 152.89 30.21 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.016 1.727 . . . . 64.04 108.639 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.87 139.25 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 124.312 1.045 . . . . 62.55 109.623 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 t -163.84 171.38 15.53 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.972 1.309 . . . . 74.54 110.932 175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.1 m -141.64 140.03 33.17 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.146 1.378 . . . . 73.45 109.948 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.43 125.25 6.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.113 1.365 . . . . 64.14 109.723 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt 56.36 35.78 26.43 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.547 1.539 . . . . 73.3 114.01 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.5 t30 70.53 0.26 3.18 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.962 2.105 . . . . 72.01 114.195 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.79 101.32 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 107.374 -1.343 . . . . 73.41 107.374 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 146.63 54.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.708 1.203 . . . . 61.23 108.707 164.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -137.79 140.97 40.86 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.156 0.982 . . . . 34.33 109.255 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -138.21 118.88 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 125.025 1.453 . . . . 74.23 107.414 171.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.5 m -99.76 147.8 25.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.253 0.971 . . . . 45.21 108.629 168.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -143.71 117.95 9.58 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.537 0.735 . . . . 63.03 110.184 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 tp -81.65 129.08 34.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.752 1.621 . . . . 52.4 109.565 170.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -132.08 73.25 1.52 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.355 1.862 . . . . 62.45 106.931 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.62 -112.15 4.67 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.051 -1.219 . . . . 44.23 110.051 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.1 -2.29 43.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.456 1.502 . . . . 73.33 114.191 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.79 144.98 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 125.062 1.345 . . . . 74.42 109.522 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.07 118.09 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.019 1.327 . . . . 74.32 107.601 167.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -93.83 141.83 28.06 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.801 -0.814 . . . . 74.24 108.801 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -131.93 101.73 5.55 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.888 1.675 . . . . 72.21 107.814 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.8 m -100.64 142.44 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.865 1.266 . . . . 72.14 109.735 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.8 mmt -127.67 154.22 45.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.919 1.287 . . . . 62.25 109.784 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.0 m -137.6 121.63 17.83 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.365 0.666 . . . . 72.1 109.855 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 tt -127.64 102.29 6.77 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 106.781 -1.562 . . . . 64.34 106.781 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.71 13.24 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.403 -1.479 . . . . 74.52 109.403 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -84.42 -19.26 33.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.989 1.316 . . . . 65.24 112.432 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 mm -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 123.838 0.855 . . . . 63.52 110.026 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.5 t -123.03 94.33 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.69 -1.226 . . . . 43.32 107.69 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -83.19 150.35 26.27 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.201 1.4 . . . . 72.25 111.745 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -141.29 149.86 41.8 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 124.059 0.849 . . . . 73.41 109.387 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 -135.4 148.34 49.32 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.464 1.905 . . . . 63.42 108.337 164.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -124.06 135.5 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 106.368 -1.715 . . . . 61.45 106.368 168.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.3 m -128.87 156.04 44.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.952 1.701 . . . . 34.43 108.27 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -143.49 146.73 33.63 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.758 0.823 . . . . 71.15 109.836 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -56.78 138.07 53.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.233 2.213 . . . . 73.33 114.452 -168.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 43.6 pt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 125.463 2.554 . . . . 70.3 107.073 176.377 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 . . . . . 0 N--CA 1.5 2.053 0 N-CA-C 103.824 -2.658 . . . . 73.55 103.824 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.42 144.05 49.27 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.589 1.955 . . . . 73.41 108.408 175.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -122.34 139.56 53.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.27 1.428 . . . . 62.12 108.64 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -143.28 -32.56 0.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.327 1.017 . . . . 64.34 112.674 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -74.37 166.24 23.83 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.685 0.994 . . . . 62.32 113.685 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -130.83 14.84 5.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.812 1.645 . . . . 73.1 112.013 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 28.6 m -86.14 156.59 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.143 1.377 . . . . 42.51 111.219 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -136.35 46.57 2.26 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.511 1.125 . . . . 75.2 112.131 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm -132.06 38.07 3.54 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.709 1.204 . . . . 75.43 111.088 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -93.99 138.0 32.58 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.022 0.929 . . . . 73.21 109.52 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.55 -17.88 64.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.599 1.56 . . . . 74.3 114.312 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.7 p -59.17 131.11 50.05 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.005 1.322 . . . . 73.43 113.087 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.86 -176.03 31.16 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.265 -1.134 . . . . 62.3 110.265 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -132.04 133.9 44.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.345 1.458 . . . . 72.05 108.61 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -137.8 118.63 14.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.541 1.136 . . . . 73.55 110.654 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -76.91 141.3 40.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.363 0.665 . . . . 63.23 110.42 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.76 128.25 36.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.941 1.696 . . . . 73.22 111.772 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -107.33 -48.7 3.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.804 1.242 . . . . 70.53 110.498 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -159.22 164.45 35.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.35 1.06 . . . . 65.41 110.199 -174.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -162.8 140.16 7.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.483 1.513 . . . . 74.31 109.331 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.1 137.78 45.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.901 1.28 . . . . 45.34 108.044 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.11 37.66 28.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.722 2.009 . . . . 73.35 113.759 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.71 -53.42 58.17 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.124 0.97 . . . . 63.43 113.555 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.75 -30.64 71.33 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.526 1.141 . . . . 73.44 113.493 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.11 61.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.783 1.233 . . . . 65.25 112.988 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -74.96 -40.33 60.81 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.929 1.292 . . . . 65.33 113.339 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.519 ' SD ' HD22 ' A' ' 24' ' ' LEU . 6.2 tpp -71.3 -27.14 63.2 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.739 1.216 . . . . 65.41 112.213 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -71.7 -43.41 65.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.015 1.326 . . . . 62.15 111.679 167.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.31 78.04 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.569 1.322 . . . . 42.34 114.569 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.444 HD11 ' SD ' ' A' ' 19' ' ' MET . 40.0 pt -79.53 -14.02 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 113.239 0.829 . . . . 75.12 113.239 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.49 17.8 30.13 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-O 117.759 -1.578 . . . . 70.33 113.747 169.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD22 ' SD ' ' A' ' 19' ' ' MET . 3.1 mp -67.37 140.77 95.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 120.098 1.949 . . . . 73.21 110.153 169.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -64.17 142.12 78.89 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.47 2.113 . . . . 71.41 111.602 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.51 -23.86 64.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.188 1.181 . . . . 74.13 114.188 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.84 -38.1 86.93 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.347 0.869 . . . . 65.14 113.347 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.63 -23.72 58.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.726 1.21 . . . . 72.24 112.761 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.74 -49.7 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.039 0.936 . . . . 71.25 111.06 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -69.17 -23.44 63.94 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.659 1.184 . . . . 72.51 114.109 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -91.38 -31.34 16.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.261 1.024 . . . . 74.44 111.81 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.2 -23.77 62.68 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.681 -1.066 . . . . 50.4 112.875 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -72.1 -32.4 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.707 1.253 . . . . 75.03 112.374 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.57 -48.24 17.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.665 1.586 . . . . 72.31 110.956 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.5 mm -65.03 118.58 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.845 1.258 . . . . 62.22 110.967 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -66.13 104.94 1.25 Allowed 'General case' 0 C--N 1.344 0.369 0 O-C-N 124.817 1.323 . . . . 74.41 110.041 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.43 160.6 54.09 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 124.717 1.261 . . . . 45.33 111.005 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.23 126.89 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 107.656 -1.239 . . . . 70.34 107.656 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m -101.4 158.75 15.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.453 1.501 . . . . 54.13 109.278 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.59 136.89 18.66 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.405 1.482 . . . . 74.12 107.178 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -129.25 143.75 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.855 -1.535 . . . . 75.4 106.855 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -128.43 135.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 106.53 -1.655 . . . . 72.01 106.53 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -122.72 122.2 38.18 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.157 -1.053 . . . . 74.4 108.157 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -127.16 73.5 1.43 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.159 1.783 . . . . 74.22 107.368 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 -119.41 7.93 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.416 -1.473 . . . . 72.11 109.416 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -72.42 -30.34 64.54 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.505 1.122 . . . . 73.11 112.63 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -75.59 144.0 42.04 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.968 0.792 . . . . 54.34 111.773 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -132.12 148.75 52.5 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 126.739 2.016 . . . . 75.23 109.676 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -126.51 140.73 52.23 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.097 -1.446 . . . . 74.12 107.097 164.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.01 121.61 32.14 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.278 1.431 . . . . 74.03 108.17 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.2 m -124.8 127.76 47.68 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.192 1.397 . . . . 73.11 107.982 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.15 125.65 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.245 -1.021 . . . . 71.24 108.245 -174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -120.95 127.0 51.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.753 1.221 . . . . 74.21 108.688 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.35 1.66 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.443 1.097 . . . . 71.34 108.511 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 22.92 67.92 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 118.788 -1.007 . . . . 72.42 112.078 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t 77.01 -26.77 0.18 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.726 2.81 . . . . 74.02 114.531 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.78 143.09 51.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.372 1.069 . . . . 75.24 110.732 170.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.5 t -121.92 134.72 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 124.776 1.298 . . . . 55.31 108.981 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.06 134.3 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 106.612 -1.625 . . . . 72.32 106.612 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.58 136.76 50.19 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 124.172 0.92 . . . . 73.31 110.554 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -128.37 149.61 50.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.77 2.028 . . . . 52.35 108.659 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -134.41 143.27 47.49 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.752 1.221 . . . . 44.03 109.113 167.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 40.6 p90 -158.04 161.54 38.06 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 124.567 1.167 . . . . 73.04 111.407 171.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -123.66 127.14 47.79 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.125 -1.435 . . . . 74.33 107.125 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.69 139.53 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 123.974 0.796 . . . . 74.41 112.377 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.3 -2.07 87.68 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.637 1.589 . . . . 74.31 112.381 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -131.8 156.72 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.576 1.55 . . . . 65.44 110.527 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.97 128.48 35.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.551 1.14 . . . . 71.35 110.697 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.6 m -142.76 159.89 41.38 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.495 1.518 . . . . 73.13 109.602 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.18 114.74 27.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.479 0.711 . . . . 74.34 110.8 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 81' ' ' THR . 11.1 mp -101.51 134.76 44.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.491 1.516 . . . . 65.33 109.648 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.66 169.69 15.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.427 . . . . 64.43 110.934 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -133.74 172.7 12.41 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.026 1.33 . . . . 65.2 110.971 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 66.2 mmm -63.22 -28.41 70.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.39 1.476 . . . . 72.21 113.636 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -82.66 -24.52 33.7 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.393 1.477 . . . . 54.03 112.815 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.15 1.64 41.61 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-O 117.934 -1.481 . . . . 72.11 112.88 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.2 152.38 45.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.786 1.793 . . . . 51.14 110.966 167.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -122.74 138.71 54.54 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.736 1.272 . . . . 73.24 109.092 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.21 143.41 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.48 1.112 . . . . 52.22 110.457 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -73.45 136.13 44.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.616 1.166 . . . . 64.23 111.071 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 HD13 ' A' ' 71' ' ' LEU . 5.2 t -163.5 141.63 7.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 124.453 1.096 . . . . 74.41 110.743 -174.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -87.38 140.98 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.307 1.043 . . . . 71.31 109.655 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 32.8 t -117.45 141.49 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 124.448 1.093 . . . . 75.24 108.737 172.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -114.77 165.25 13.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.987 1.715 . . . . 72.33 109.409 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -136.79 115.2 11.82 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.99 -1.115 . . . . 74.15 107.99 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.95 145.54 32.56 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.683 1.239 . . . . 65.14 109.461 168.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.32 -13.12 48.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.509 1.528 . . . . 74.23 114.106 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.47 24.56 0.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.1 2.16 . . . . 70.11 113.019 171.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.283 0.6 OUTLIER 52.87 43.63 31.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 129.503 3.121 . . . . 53.43 113.882 -175.751 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -124.84 107.5 10.97 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.755 1.222 . . . . 75.42 109.642 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.32 140.66 55.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.075 0.95 . . . . 64.04 109.312 161.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -141.1 131.25 26.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 124.175 0.922 . . . . 62.55 109.357 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -157.2 169.42 24.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.968 1.307 . . . . 74.54 111.013 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.6 p -146.6 119.59 8.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.087 1.355 . . . . 73.45 109.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -134.41 124.99 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.699 1.2 . . . . 64.14 108.754 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt 55.44 38.06 29.75 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.221 1.809 . . . . 73.3 114.23 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 t30 71.8 -7.16 1.3 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.54 1.936 . . . . 72.01 114.027 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.3 mt -77.75 109.15 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.713 -1.217 . . . . 73.41 107.713 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.41 34.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.71 1.604 . . . . 61.23 109.316 168.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -144.11 128.93 18.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.57 -0.9 . . . . 34.33 108.57 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.84 135.3 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.573 -1.64 . . . . 74.23 106.573 168.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 m -125.56 131.85 52.67 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 124.386 1.054 . . . . 45.21 108.596 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.8 129.2 34.18 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 124.198 0.936 . . . . 63.03 111.458 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.33 94.08 6.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.495 1.918 . . . . 52.4 110.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.77 74.33 7.48 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.238 1.015 . . . . 62.45 109.056 172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.1 -92.25 0.74 Allowed Glycine 0 C--N 1.346 1.12 0 N-CA-C 109.7 -1.36 . . . . 44.23 109.7 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.08 -1.44 13.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.64 1.976 . . . . 73.33 112.49 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.7 mm -109.17 128.88 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 124.302 1.041 . . . . 74.42 108.403 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.4 mm -103.96 116.63 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.467 1.107 . . . . 74.32 109.168 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.4 m -94.51 134.25 37.24 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 124.503 1.127 . . . . 74.24 107.966 164.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -114.78 137.52 51.84 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.507 -1.664 . . . . 72.21 106.507 161.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.8 m -133.46 114.97 14.22 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.003 -1.48 . . . . 72.14 107.003 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.6 mmm -125.04 125.03 43.2 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.804 1.315 . . . . 62.25 108.859 -172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.8 m -126.55 118.58 25.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.297 0.499 . . . . 72.1 110.73 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.7 tp -120.15 94.7 4.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.35 1.46 . . . . 64.34 107.774 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.95 -126.29 28.9 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 110.057 -1.217 . . . . 74.52 110.057 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.04 -19.3 61.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.474 1.51 . . . . 65.24 113.037 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.2 mm -83.77 123.33 38.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.633 0.773 . . . . 63.52 109.847 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.23 94.76 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.617 -1.253 . . . . 43.32 107.617 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -80.83 145.91 31.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.697 1.199 . . . . 72.25 110.572 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -136.49 156.19 48.93 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.285 -1.006 . . . . 73.41 108.285 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -144.02 130.24 19.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.715 2.006 . . . . 63.42 106.362 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -126.91 119.61 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.264 -1.754 . . . . 61.45 106.264 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 m -130.09 153.48 48.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.948 1.299 . . . . 34.43 109.008 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -136.38 138.01 41.14 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.71 1.204 . . . . 71.15 109.922 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -64.19 127.95 33.66 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.051 1.34 . . . . 73.33 113.396 -170.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 103.766 -2.679 . . . . 70.3 103.766 178.61 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 . . . . . 0 N--CA 1.502 2.149 0 N-CA-C 106.561 -1.644 . . . . 73.55 106.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -128.51 -46.25 1.32 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.826 1.25 . . . . 73.41 109.552 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 61.65 -89.65 0.03 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 127.297 2.239 . . . . 62.12 111.682 -173.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -69.68 149.99 47.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.199 0.937 . . . . 64.34 111.404 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -78.71 2.08 20.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.278 1.431 . . . . 62.32 114.497 -168.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -69.22 138.29 53.89 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.71 1.604 . . . . 73.1 110.789 166.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 90.1 t -135.29 137.72 49.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.767 1.227 . . . . 42.51 108.564 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -92.02 178.29 5.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.382 1.473 . . . . 75.2 111.815 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mmm -79.77 46.49 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.583 1.153 . . . . 75.43 112.401 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -82.7 120.36 25.48 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.212 1.805 . . . . 73.21 108.279 171.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.06 -26.38 67.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.577 1.151 . . . . 74.3 113.99 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -54.72 129.3 36.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.722 2.009 . . . . 73.43 114.249 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.74 -175.08 32.2 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.104 -1.198 . . . . 62.3 110.104 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -114.01 141.99 46.73 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.226 1.81 . . . . 72.05 108.939 171.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -144.09 113.02 6.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 124.568 1.167 . . . . 73.55 109.203 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.98 137.75 39.21 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 123.093 0.557 . . . . 63.23 110.062 172.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.24 126.94 29.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.083 1.753 . . . . 73.22 111.678 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -101.94 -44.73 5.41 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.216 1.806 . . . . 70.53 110.579 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -154.13 164.24 38.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.236 1.414 . . . . 65.41 110.213 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.66 155.81 32.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.957 1.303 . . . . 74.31 110.201 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -143.5 142.18 31.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.793 1.237 . . . . 45.34 108.077 -166.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 56.64 29.76 16.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.768 1.627 . . . . 73.35 112.911 -171.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.61 -57.1 14.45 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.291 1.037 . . . . 63.43 113.31 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.73 -39.74 95.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.807 1.243 . . . . 73.44 112.735 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.99 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.255 1.422 . . . . 65.25 113.188 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -79.11 -41.18 29.24 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.268 1.027 . . . . 65.33 112.767 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -27.49 67.77 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.537 1.148 . . . . 65.41 112.398 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.81 -46.53 57.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.436 1.494 . . . . 62.15 111.616 168.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.54 74.18 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.038 1.495 . . . . 42.34 115.038 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 pt -76.22 -17.13 15.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.628 0.973 . . . . 75.12 113.628 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.2 19.34 30.87 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-O 118.267 -1.296 . . . . 70.33 113.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.54 139.29 83.73 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 119.466 1.633 . . . . 73.21 109.167 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.72 145.11 74.38 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.284 1.989 . . . . 71.41 111.814 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.2 -27.9 37.23 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.697 1.369 . . . . 74.13 114.697 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.78 -46.69 84.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.38 1.472 . . . . 65.14 112.363 172.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.39 -25.0 60.38 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.11 1.364 . . . . 72.24 113.218 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.2 mt -69.71 -52.28 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 71.25 110.206 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -70.49 -31.06 68.02 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.315 1.228 . . . . 72.51 114.315 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.78 -10.81 54.91 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.081 -0.961 . . . . 74.44 112.857 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.18 -19.9 9.11 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.082 -1.399 . . . . 50.4 112.88 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -64.62 -38.2 90.2 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.467 1.633 . . . . 75.03 113.381 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.13 -19.02 44.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 72.31 112.86 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -86.33 96.06 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.162 0.985 . . . . 62.22 109.631 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -70.29 124.18 23.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.043 0.937 . . . . 74.41 109.972 167.461 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 -171.75 28.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.722 1.264 . . . . 45.33 111.217 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -129.58 148.8 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.688 1.595 . . . . 70.34 108.397 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 m -128.35 119.91 25.98 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.086 0.867 . . . . 54.13 109.891 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -78.1 148.07 34.37 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.256 0.973 . . . . 74.12 108.632 160.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -134.2 148.82 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 106.481 -1.674 . . . . 75.4 106.481 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.06 148.11 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 125.243 1.417 . . . . 72.01 107.624 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -136.92 103.62 5.22 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.626 -1.25 . . . . 74.4 107.626 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -110.67 70.81 0.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.364 1.866 . . . . 74.22 108.064 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.39 -119.35 7.76 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 109.031 -1.628 . . . . 72.11 109.031 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.24 -31.49 62.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.059 -0.972 . . . . 73.11 112.612 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -70.36 141.94 52.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.749 0.656 . . . . 54.34 111.245 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -129.18 148.53 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.622 1.969 . . . . 75.23 108.799 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.13 146.87 50.23 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.715 -1.217 . . . . 74.12 107.715 165.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.94 142.91 50.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.033 1.333 . . . . 74.03 107.545 162.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.8 m -126.16 125.76 43.0 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.338 -2.097 . . . . 73.11 105.338 162.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.47 105.63 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.349 -1.723 . . . . 71.24 106.349 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -116.96 117.83 30.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.27 1.028 . . . . 74.21 109.967 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.18 146.28 8.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.919 1.288 . . . . 71.34 109.084 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.05 25.15 75.98 Favored Glycine 0 CA--C 1.54 1.644 0 CA-C-O 118.871 -0.961 . . . . 72.42 113.378 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.4 t 66.58 37.62 4.41 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.891 2.076 . . . . 74.02 113.282 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 151.76 35.64 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.025 1.33 . . . . 75.24 109.142 172.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -121.17 117.97 54.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.795 1.309 . . . . 55.31 108.408 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.45 144.22 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 107.39 -1.337 . . . . 72.32 107.39 166.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.66 140.5 49.36 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.624 0.578 . . . . 73.31 110.922 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -118.05 139.8 50.69 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 124.434 1.084 . . . . 52.35 108.219 169.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -132.19 117.94 18.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 106.673 -1.603 . . . . 44.03 106.673 174.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.446 ' CE2' HG11 ' A' ' 83' ' ' VAL . 53.6 p90 -149.44 166.06 30.25 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 124.667 1.229 . . . . 73.04 111.181 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -129.48 123.79 32.4 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.686 -1.227 . . . . 74.33 107.686 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.97 122.76 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 124.118 0.886 . . . . 74.41 111.596 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.07 59.62 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.328 1.442 . . . . 74.31 112.638 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -122.1 154.69 37.03 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.568 1.684 . . . . 65.44 110.479 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -78.67 129.71 35.03 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.087 0.867 . . . . 71.35 109.63 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.5 m -130.62 -164.22 1.4 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.655 1.582 . . . . 73.13 107.685 173.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -127.18 123.97 37.9 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.769 -0.826 . . . . 74.34 108.769 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.07 125.23 50.77 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.256 1.423 . . . . 65.33 109.93 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -76.47 162.86 27.48 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.232 1.583 . . . . 64.43 110.754 169.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.4 p -137.36 175.59 9.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.148 0.979 . . . . 65.2 110.717 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.8 mmm -51.16 -38.36 51.67 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.23 2.212 . . . . 72.21 114.444 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -78.57 -15.97 57.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.189 1.796 . . . . 54.03 114.043 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.92 7.92 73.52 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 118.687 -1.063 . . . . 72.11 112.545 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.42 148.44 48.35 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 118.953 1.377 . . . . 51.14 110.439 166.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -125.1 137.32 54.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.425 1.09 . . . . 73.24 109.055 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.48 145.87 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 124.227 0.954 . . . . 52.22 111.261 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -69.36 134.22 48.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.05 1.34 . . . . 64.23 112.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 t -169.82 153.61 4.95 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.779 1.3 . . . . 74.41 111.341 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.69 148.31 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.792 1.637 . . . . 71.31 110.067 170.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' CE2' ' A' ' 63' ' ' PHE . 32.5 t -119.05 145.5 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.156 -1.054 . . . . 75.24 108.156 168.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -122.0 162.98 20.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.649 1.58 . . . . 72.33 110.039 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.77 129.14 21.21 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.427 1.091 . . . . 74.15 109.775 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -92.09 171.61 8.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.799 1.64 . . . . 65.14 110.896 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.93 4.49 65.72 Favored Glycine 0 CA--C 1.542 1.772 0 CA-C-O 118.745 -1.031 . . . . 74.23 112.963 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.47 36.02 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.568 1.947 . . . . 70.11 112.109 -172.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.83 33.82 22.29 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.463 1.905 . . . . 53.43 114.117 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -128.21 115.54 18.51 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.291 . . . . 75.42 111.297 -168.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 mt -83.33 148.69 27.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.691 1.596 . . . . 64.04 109.428 163.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.6 t -145.48 140.67 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.137 0.975 . . . . 62.55 109.958 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -154.79 166.07 34.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.955 1.702 . . . . 74.54 110.108 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -139.98 127.51 21.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.863 0.865 . . . . 73.45 110.405 173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -142.13 125.11 16.17 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.595 1.558 . . . . 64.14 109.925 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 60.07 32.38 20.98 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.498 1.519 . . . . 73.3 113.4 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.5 t30 71.91 -2.2 2.59 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.38 2.272 . . . . 72.01 114.253 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.472 HG12 HD12 ' A' ' 115' ' ' LEU . 16.7 mt -84.27 96.97 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.367 -1.346 . . . . 73.41 107.367 171.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.79 139.3 57.78 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.208 -1.034 . . . . 61.23 108.208 163.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 t -135.44 143.1 45.73 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.242 1.017 . . . . 34.33 109.176 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.39 133.35 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.835 1.654 . . . . 74.23 107.002 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -117.45 122.8 44.75 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 108.268 -1.012 . . . . 45.21 108.268 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -122.54 104.54 9.43 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.023 1.329 . . . . 63.03 109.796 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.15 146.76 45.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.958 1.703 . . . . 52.4 111.058 173.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.48 68.89 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.53 1.932 . . . . 62.45 107.538 -177.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.86 -104.44 1.32 Allowed Glycine 0 CA--C 1.533 1.21 0 N-CA-C 109.776 -1.329 . . . . 44.23 109.776 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.95 -1.18 57.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.893 1.677 . . . . 73.33 113.243 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -112.1 145.93 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.199 1.0 . . . . 74.42 109.246 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.9 mm -126.13 119.73 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.974 1.31 . . . . 74.32 107.579 168.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -91.66 137.12 32.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.739 -1.208 . . . . 74.24 107.739 162.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -120.26 126.38 50.45 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 106.271 -1.751 . . . . 72.21 106.271 165.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.7 m -122.71 142.28 50.87 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.142 -1.058 . . . . 72.14 108.142 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.7 mtt -131.85 153.5 50.12 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.919 0.888 . . . . 62.25 110.013 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.3 m -138.5 115.2 10.66 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.407 1.083 . . . . 72.1 109.333 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 98' ' ' ILE . 2.0 tt -121.19 103.63 9.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.699 -1.963 . . . . 64.34 105.699 171.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.8 -122.81 23.09 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 109.56 -1.416 . . . . 74.52 109.56 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.42 -21.94 30.57 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.966 1.307 . . . . 65.24 112.513 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.403 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.9 mp -75.31 114.82 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.463 0.705 . . . . 63.52 109.974 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 67.5 t -108.81 85.41 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 124.615 1.197 . . . . 43.32 108.569 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -66.37 147.65 52.99 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.951 1.3 . . . . 72.25 112.331 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -144.39 155.74 43.91 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.078 0.861 . . . . 73.41 109.935 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -144.64 148.34 34.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.546 2.338 . . . . 63.42 108.165 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.87 128.99 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 105.195 -2.15 . . . . 61.45 105.195 166.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -128.18 153.8 46.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.025 1.73 . . . . 34.43 108.171 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -142.03 143.67 33.25 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.678 0.791 . . . . 71.15 110.273 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.16 132.93 51.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.938 2.095 . . . . 73.33 114.393 -167.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 47.3 pt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 125.505 2.574 . . . . 70.3 107.056 173.736 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 . . . . . 0 N--CA 1.5 2.05 0 N-CA-C 107.045 -1.465 . . . . 73.55 107.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 62.36 -151.98 0.36 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.092 1.357 . . . . 73.41 110.11 -162.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 32.5 m80 37.93 85.51 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.933 2.493 . . . . 62.12 116.052 160.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . 0.283 16.1 p80 52.23 -146.35 0.5 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.318 1.847 . . . . 64.34 113.808 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -73.26 -61.22 1.9 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.426 0.691 . . . . 62.32 111.124 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 56.7 66.95 1.07 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.852 2.061 . . . . 73.1 112.286 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.1 133.09 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 109.021 -0.733 . . . . 42.51 109.021 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -106.31 149.23 27.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.367 1.467 . . . . 75.2 110.116 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.89 40.11 26.16 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.288 1.835 . . . . 75.43 112.678 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -130.17 139.26 50.88 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.816 1.247 . . . . 73.21 109.841 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.489 ' HA ' HD13 ' A' ' 104' ' ' LEU . 77.6 m-85 -61.19 -20.94 63.34 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.066 1.746 . . . . 74.3 114.593 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 m -55.02 123.54 13.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.648 1.979 . . . . 73.43 113.383 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.09 179.4 31.11 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 110.327 -1.109 . . . . 62.3 110.327 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -118.81 135.95 54.26 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.802 1.641 . . . . 72.05 108.658 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -138.92 116.55 11.39 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.191 1.397 . . . . 73.55 109.707 -168.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HB2' HD13 ' A' ' 127' ' ' ILE . 11.7 tt0 -76.44 141.91 41.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.828 -0.434 . . . . 63.23 109.828 171.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.12 128.62 34.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.204 1.801 . . . . 73.22 111.921 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.5 -58.51 1.91 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 124.861 1.351 . . . . 70.53 109.369 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -161.44 169.58 21.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.539 1.135 . . . . 65.41 110.191 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 pm0 -158.16 149.37 21.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.191 1.397 . . . . 74.31 109.865 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.78 142.29 46.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.96 1.304 . . . . 45.34 109.787 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 57.97 39.32 26.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.452 2.301 . . . . 73.35 113.161 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.7 -53.16 61.22 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.939 1.296 . . . . 63.43 112.738 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.64 -38.75 92.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.918 1.687 . . . . 73.44 112.408 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.97 88.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.995 1.318 . . . . 65.25 112.9 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.41 -42.79 61.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.71 1.204 . . . . 65.33 112.132 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.01 62.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.578 1.151 . . . . 65.41 112.916 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -73.62 -46.04 49.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.586 1.155 . . . . 62.15 111.309 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.67 80.18 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 125.197 1.399 . . . . 42.34 114.379 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 24' ' ' LEU . 50.5 pt -75.24 -16.27 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 N-CA-C 114.024 1.12 . . . . 75.12 114.024 175.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.64 22.26 37.4 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-O 118.503 -1.165 . . . . 70.33 113.12 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 22' ' ' ILE . 2.9 mp -68.54 141.71 93.42 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.141 1.47 . . . . 73.21 109.036 166.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.52 139.06 74.11 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.17 1.914 . . . . 71.41 111.459 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -52.77 -28.1 20.88 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.261 1.424 . . . . 74.13 114.153 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.27 -49.19 78.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.798 1.639 . . . . 65.14 112.27 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.61 -22.28 65.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.998 1.319 . . . . 72.24 113.815 172.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -73.88 -55.11 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 118.822 0.737 . . . . 71.25 110.175 174.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -71.94 -25.46 61.9 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.797 1.036 . . . . 72.51 113.797 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -81.6 -35.07 30.54 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.003 0.921 . . . . 74.44 111.466 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.75 -21.11 64.38 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 118.429 -1.206 . . . . 50.4 113.874 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -68.88 -36.22 77.82 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.014 1.407 . . . . 75.03 112.382 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 -25.6 35.89 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.133 1.373 . . . . 72.31 113.906 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.13 100.49 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.48 0.582 . . . . 62.22 109.508 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 99.89 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.501 1.92 . . . . 74.41 111.188 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 172.65 50.71 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 114.852 -1.067 . . . . 45.33 112.115 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.2 t -137.56 143.93 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.208 1.403 . . . . 70.34 107.655 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -115.91 147.52 41.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.327 1.451 . . . . 54.13 108.708 169.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -140.46 112.43 7.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.659 -1.238 . . . . 74.12 107.659 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -111.24 146.88 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.029 -1.1 . . . . 75.4 108.029 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.3 104.26 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.917 0.887 . . . . 72.01 108.788 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.33 132.95 34.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.539 1.136 . . . . 74.4 109.861 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -135.8 68.88 1.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.116 1.766 . . . . 74.22 107.748 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.73 -106.18 1.74 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.365 -1.494 . . . . 72.11 109.365 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -37.75 51.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.323 1.049 . . . . 73.11 112.625 174.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -74.74 148.15 40.72 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 123.649 0.593 . . . . 54.34 111.812 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.03 115.56 9.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.958 2.103 . . . . 75.23 108.804 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -94.1 136.91 33.88 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.802 1.314 . . . . 74.12 107.503 163.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.81 139.81 53.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.528 1.531 . . . . 74.03 107.658 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 m -133.3 142.3 48.41 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.146 -1.427 . . . . 73.11 107.146 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -140.97 141.7 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.785 -1.561 . . . . 71.24 106.785 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -137.42 126.47 24.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.023 -1.102 . . . . 74.21 108.023 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.3 154.02 10.11 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 71.34 109.892 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.42 -84.18 0.97 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.088 -1.205 . . . . 72.42 110.088 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 84.9 p -163.91 24.74 0.08 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.02 1.728 . . . . 74.02 111.362 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 152.91 40.56 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.385 1.074 . . . . 75.24 110.902 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.37 131.94 62.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 125.048 1.468 . . . . 55.31 109.0 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mt -104.23 141.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 128.025 2.53 . . . . 72.32 108.349 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -139.8 131.03 26.59 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.359 1.037 . . . . 73.31 109.32 166.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -123.34 138.44 54.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.158 1.783 . . . . 52.35 107.291 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -135.0 125.84 27.38 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.359 1.064 . . . . 44.03 108.282 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 83' ' ' VAL . 54.8 p90 -152.57 157.78 41.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.684 1.24 . . . . 73.04 111.231 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -122.04 126.34 48.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.21 126.75 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.915 0.759 . . . . 74.41 111.978 -169.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 3.87 68.95 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.18 1.372 . . . . 74.31 112.644 -171.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -129.03 146.45 51.0 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.273 1.536 . . . . 65.44 110.128 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.88 118.88 18.33 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.014 0.926 . . . . 71.35 110.681 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.28 152.13 44.25 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.336 1.455 . . . . 73.13 109.183 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -90.61 110.43 21.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.484 0.49 . . . . 74.34 111.339 -172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.71 140.34 29.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.469 1.508 . . . . 65.33 110.387 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 158.26 20.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.215 1.806 . . . . 64.43 111.203 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -129.36 162.6 27.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.601 1.56 . . . . 65.2 109.945 172.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.8 mmt -53.22 -29.47 32.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.107 1.763 . . . . 72.21 115.692 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.1 p -78.25 -8.88 58.88 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.276 1.431 . . . . 54.03 114.065 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.72 81.39 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.476 -1.18 . . . . 72.11 112.375 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.8 146.67 52.68 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.012 1.406 . . . . 51.14 110.35 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -128.21 137.25 51.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 124.331 1.019 . . . . 73.24 109.763 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -143.56 140.88 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.49 1.116 . . . . 52.22 111.55 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -70.1 137.69 51.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.904 1.681 . . . . 64.23 111.179 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -167.59 147.41 5.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.362 1.065 . . . . 74.41 110.582 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.7 t -91.88 114.55 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.532 -0.914 . . . . 71.31 108.532 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 63' ' ' PHE . 41.6 t -85.64 147.19 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.497 -0.927 . . . . 75.24 108.497 168.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -121.03 156.5 32.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.427 1.091 . . . . 72.33 110.129 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.0 126.78 52.52 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 124.982 1.426 . . . . 74.15 108.27 169.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.79 165.51 13.23 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.892 1.677 . . . . 65.14 110.073 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.31 -1.74 81.98 Favored Glycine 0 CA--C 1.539 1.574 0 CA-C-O 118.32 -1.267 . . . . 74.23 114.675 -172.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.42 51.85 1.06 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.389 1.476 . . . . 70.11 111.271 -172.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.17 41.06 19.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.617 2.367 . . . . 53.43 114.297 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -133.88 143.97 48.61 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.405 1.482 . . . . 75.42 111.119 -171.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.0 mt -116.11 149.67 38.61 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.648 1.979 . . . . 64.04 108.422 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.9 t -142.08 139.71 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.152 0.981 . . . . 62.55 109.44 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.6 t -155.0 170.26 22.17 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.371 1.468 . . . . 74.54 110.171 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -140.27 129.02 23.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.07 0.948 . . . . 73.45 109.141 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.15 131.88 27.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.981 1.313 . . . . 64.14 108.067 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.53 47.9 22.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.75 1.62 . . . . 73.3 114.903 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 73.75 -3.57 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.387 1.875 . . . . 72.01 113.858 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 115' ' ' LEU . 3.3 mt -98.79 104.77 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.457 1.503 . . . . 73.41 108.473 -175.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.77 127.78 33.57 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.803 0.689 . . . . 61.23 109.412 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 t -117.25 140.69 49.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 34.33 109.602 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.5 135.47 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 106.992 -1.485 . . . . 74.23 106.992 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 m -127.02 145.47 50.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.137 0.975 . . . . 45.21 108.774 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -146.57 141.14 26.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.499 0.72 . . . . 63.03 111.168 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 3' ' ' PHE . 8.5 tp -111.59 94.11 4.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.664 1.986 . . . . 52.4 108.743 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -95.17 78.05 3.5 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.007 0.923 . . . . 62.45 109.007 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.77 -113.73 5.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 109.433 -1.467 . . . . 44.23 109.433 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.42 0.3 57.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.892 1.677 . . . . 73.33 113.465 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 mm -105.94 136.7 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.619 1.168 . . . . 74.42 108.285 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mm -111.26 128.11 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.296 1.038 . . . . 74.32 108.754 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 m -105.98 141.72 36.9 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.551 1.157 . . . . 74.24 108.488 167.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.25 147.95 47.71 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.243 1.417 . . . . 72.21 107.636 162.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 88.8 m -136.68 135.4 38.18 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.183 1.393 . . . . 72.14 107.414 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.6 mmt -122.07 144.89 48.64 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.179 1.392 . . . . 62.25 108.178 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.8 m -138.29 89.62 2.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.032 0.933 . . . . 72.1 108.582 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 98' ' ' ILE . 12.7 tp -101.78 105.35 16.2 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 125.687 1.595 . . . . 64.34 109.256 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.27 -102.75 0.32 Allowed Glycine 0 CA--C 1.536 1.351 0 O-C-N 124.775 1.297 . . . . 74.52 111.685 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.15 -11.77 27.58 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.122 1.769 . . . . 65.24 112.751 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.7 mm -101.94 136.71 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.06 1.344 . . . . 63.52 110.315 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.1 t -120.41 94.25 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.548 1.139 . . . . 43.32 108.134 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -84.44 146.9 27.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.051 1.341 . . . . 72.25 111.125 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -145.62 150.36 36.2 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.398 -0.964 . . . . 73.41 108.398 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.03 139.8 26.35 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.018 1.727 . . . . 63.42 108.675 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.6 129.29 55.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 107.363 -1.347 . . . . 61.45 107.363 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -133.51 155.37 49.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.669 1.588 . . . . 34.43 108.362 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -139.68 143.07 36.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.598 0.759 . . . . 71.15 110.285 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.3 129.8 43.45 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.974 1.71 . . . . 73.33 114.055 -169.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 8' ' ' GLN . 30.2 pt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 125.378 2.513 . . . . 70.3 107.558 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 106.833 -1.543 . . . . 73.55 106.833 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 7.1 p80 50.26 16.22 0.25 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 129.09 2.956 . . . . 73.41 117.604 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 62.5 m80 66.57 153.51 0.08 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.791 2.436 . . . . 62.12 112.829 -165.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -56.8 -49.87 74.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.587 1.555 . . . . 64.34 114.886 -166.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -175.23 -45.96 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.406 1.483 . . . . 62.32 110.246 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -148.83 178.08 8.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.008 2.123 . . . . 73.1 108.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.83 119.47 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.466 1.106 . . . . 42.51 112.684 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -130.88 46.61 2.64 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.634 1.573 . . . . 75.2 109.194 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ptm -153.66 33.08 0.45 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.304 1.442 . . . . 75.43 110.779 -176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -76.34 144.8 39.94 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.088 0.555 . . . . 73.21 110.445 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' A' ' 41' ' ' ILE . 47.9 m-85 -65.4 -18.45 65.33 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.186 1.18 . . . . 74.3 114.186 175.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -57.01 138.0 54.94 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.859 . . . . 73.43 114.377 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.04 23.02 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 124.281 0.988 . . . . 62.3 110.913 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -109.15 141.12 41.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.627 1.971 . . . . 72.05 108.966 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -142.56 106.1 4.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.012 1.325 . . . . 73.55 110.062 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -70.6 141.16 51.78 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.743 0.817 . . . . 63.23 111.16 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LYS . 64.3 tp -57.27 124.66 19.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.726 1.61 . . . . 73.22 111.308 167.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -98.79 -49.13 4.68 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.516 1.135 . . . . 70.53 110.608 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.7 167.52 20.95 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 124.369 1.068 . . . . 65.41 111.07 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -157.99 150.03 22.0 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.512 1.125 . . . . 74.31 110.769 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -129.51 141.56 50.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.747 1.619 . . . . 45.34 109.551 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 58.7 29.3 18.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.153 2.181 . . . . 73.35 112.84 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.21 -52.72 64.39 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.56 1.544 . . . . 63.43 111.871 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.99 -35.25 80.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.718 1.261 . . . . 73.44 113.632 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.84 76.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.726 1.211 . . . . 65.25 112.791 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -76.63 -40.14 50.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.357 1.463 . . . . 65.33 113.333 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -26.84 62.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.5 1.12 . . . . 65.41 112.244 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -72.03 -40.26 68.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.477 1.111 . . . . 62.15 111.581 166.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.58 -22.31 65.38 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.882 1.438 . . . . 42.34 114.882 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 24' ' ' LEU . 44.7 pt -92.44 -11.48 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.059 0.944 . . . . 75.12 113.064 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.84 22.43 39.17 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.137 -1.368 . . . . 70.33 113.961 170.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.0 mp -67.0 145.72 98.96 Favored Pre-proline 0 CA--C 1.551 0.986 0 CA-C-N 119.625 1.712 . . . . 73.21 110.502 170.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.22 138.14 65.04 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.842 2.361 . . . . 71.41 112.413 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.77 -26.42 65.68 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.486 1.662 . . . . 74.13 115.486 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -64.84 -43.0 94.47 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 65.14 112.869 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -71.23 -18.64 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.833 1.253 . . . . 72.24 112.941 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.96 -53.85 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.551 0.741 . . . . 71.25 110.368 168.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.61 -26.19 65.23 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.1 1.519 . . . . 72.51 115.1 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -98.18 -26.04 14.69 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 118.157 -0.925 . . . . 74.44 112.098 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -25.72 69.59 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-O 118.94 -0.922 . . . . 50.4 112.412 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -72.06 -29.47 64.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.226 1.013 . . . . 75.03 112.176 171.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.13 -45.15 20.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.602 1.561 . . . . 72.31 111.257 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.461 HG21 ' H ' ' A' ' 55' ' ' GLY . 9.9 mm -66.26 114.46 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.562 1.145 . . . . 62.22 111.227 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HA ' HD23 ' A' ' 9' ' ' LEU . 60.4 mttp -74.65 127.01 32.06 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 124.51 1.132 . . . . 74.41 109.855 168.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.07 -174.97 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 125.102 1.501 . . . . 45.33 110.225 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.67 138.79 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.94 1.296 . . . . 70.34 107.768 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -113.21 134.68 54.46 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.757 1.223 . . . . 54.13 108.274 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.75 144.35 41.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 108.574 -0.898 . . . . 74.12 108.574 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.425 HG21 ' HB3' ' A' ' 3' ' ' PHE . 24.3 mt -126.83 143.69 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.843 -1.539 . . . . 75.4 106.843 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -140.92 94.53 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.319 -0.993 . . . . 72.01 108.319 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.06 122.96 25.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.353 1.061 . . . . 74.4 109.906 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -129.86 67.08 1.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.247 1.819 . . . . 74.22 107.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.59 -121.73 6.92 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 108.685 -1.766 . . . . 72.11 108.685 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -31.38 68.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.031 0.932 . . . . 73.11 112.593 171.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -71.58 150.17 44.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.052 0.941 . . . . 54.34 112.167 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.08 141.75 36.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.848 2.059 . . . . 75.23 109.157 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -106.41 148.88 27.59 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 124.631 1.207 . . . . 74.12 109.754 153.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -135.57 93.12 2.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.67 1.988 . . . . 74.03 107.967 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 m -84.66 141.65 30.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.099 0.96 . . . . 73.11 109.292 170.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -140.24 115.2 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.386 -1.339 . . . . 71.24 107.386 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -111.84 121.54 45.33 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.384 1.074 . . . . 74.21 108.989 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 136.49 1.79 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.552 1.141 . . . . 71.34 109.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.461 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 77.16 26.78 61.2 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-O 118.886 -0.952 . . . . 72.42 113.066 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.5 m 63.97 40.74 7.04 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.678 1.991 . . . . 74.02 113.433 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.48 150.74 32.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.689 1.596 . . . . 75.24 108.061 171.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.4 114.68 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.599 1.187 . . . . 55.31 108.625 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.0 141.46 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 107.884 -1.154 . . . . 72.32 107.884 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -129.4 138.54 51.55 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 124.387 1.054 . . . . 73.31 108.533 160.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -131.8 138.25 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 52.35 107.949 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -122.14 139.99 53.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 125.597 1.811 . . . . 44.03 109.193 172.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 38.3 p90 -155.55 163.29 40.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 124.948 1.405 . . . . 73.04 110.614 171.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -133.05 121.99 23.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.247 -1.39 . . . . 74.33 107.247 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -72.15 128.04 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 123.922 0.764 . . . . 74.41 111.824 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.95 1.98 69.64 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.297 -1.28 . . . . 74.31 112.297 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -130.51 153.08 49.2 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 125.633 1.573 . . . . 65.44 110.007 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.18 122.93 29.03 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.715 0.806 . . . . 71.35 110.62 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 99.4 m -138.34 161.36 37.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.089 1.356 . . . . 73.13 110.372 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.1 99.76 9.29 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.294 1.038 . . . . 74.34 110.654 -162.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.27 139.72 30.38 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.849 1.26 . . . . 65.33 111.969 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.86 153.14 25.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.517 1.927 . . . . 64.43 110.349 169.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -115.03 160.66 19.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.612 1.565 . . . . 65.2 109.702 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.64 -22.45 34.41 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 116.359 1.985 . . . . 72.21 116.359 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -78.98 -23.11 44.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.699 1.6 . . . . 54.03 113.685 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.24 6.02 29.87 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.799 1.19 . . . . 72.11 112.986 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 157.77 30.59 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.3 1.55 . . . . 51.14 109.676 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -132.4 144.21 50.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.134 0.974 . . . . 73.24 111.269 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.81 150.28 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.665 1.186 . . . . 52.22 111.473 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.73 146.05 36.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.472 1.509 . . . . 64.23 111.792 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -170.73 142.56 1.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.386 1.474 . . . . 74.41 110.5 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.42 127.74 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.497 0.719 . . . . 71.31 109.231 169.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 21.7 t -102.12 150.63 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 124.74 1.275 . . . . 75.24 108.331 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -130.64 155.62 46.27 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.353 1.061 . . . . 72.33 110.455 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -121.65 133.49 54.97 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 125.105 1.503 . . . . 74.15 108.226 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.05 168.2 9.6 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.961 1.413 . . . . 65.14 110.426 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 1.45 21.23 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.581 1.563 . . . . 74.23 115.893 -170.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -118.37 37.5 4.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.655 1.582 . . . . 70.11 112.163 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.334 0.0 OUTLIER 56.74 38.08 29.25 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.675 1.99 . . . . 53.43 113.99 178.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -127.21 134.58 50.09 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 124.614 1.166 . . . . 75.42 111.096 -171.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.83 149.52 26.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.618 1.567 . . . . 64.04 109.196 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -142.88 135.38 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 62.55 109.361 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -148.3 159.84 43.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.886 1.674 . . . . 74.54 110.358 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.2 m -138.27 110.17 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.39 0.676 . . . . 73.45 110.809 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -133.14 133.45 42.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.214 1.406 . . . . 64.14 109.848 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt 40.67 63.14 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.249 2.22 . . . . 73.3 114.927 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . 0.289 4.3 p30 67.1 -9.07 0.4 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.753 2.421 . . . . 72.01 116.084 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.5 mt -95.41 110.7 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 124.948 1.299 . . . . 73.41 109.29 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -79.94 101.08 8.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.603 1.561 . . . . 61.23 108.016 168.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 t -99.1 140.95 32.5 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.485 1.114 . . . . 34.33 110.874 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -133.42 140.8 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.434 1.894 . . . . 74.23 107.381 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -128.61 150.7 50.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.061 0.944 . . . . 45.21 108.7 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -143.82 118.05 9.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.039 0.936 . . . . 63.03 109.557 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -75.73 135.93 40.34 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.768 1.292 . . . . 52.4 108.582 160.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.36 73.16 1.23 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.092 -1.077 . . . . 62.45 108.092 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.8 -100.93 1.37 Allowed Glycine 0 C--N 1.346 1.104 0 N-CA-C 108.715 -1.754 . . . . 44.23 108.715 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -109.61 -6.14 15.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.317 1.847 . . . . 73.33 112.369 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.49 130.11 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.403 1.081 . . . . 74.42 108.452 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.9 mm -113.25 115.75 50.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.348 -0.982 . . . . 74.32 108.348 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.8 m -96.65 139.27 32.97 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.127 0.892 . . . . 74.24 108.631 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -123.53 137.7 54.71 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 106.979 -1.489 . . . . 72.21 106.979 168.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.0 m -134.53 137.64 44.0 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.47 1.108 . . . . 72.14 108.721 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.5 mtt -137.5 101.78 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.319 1.047 . . . . 62.25 109.906 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 99.8 m -85.46 110.65 19.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.504 1.122 . . . . 72.1 110.03 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tt -111.46 90.84 3.45 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.886 2.074 . . . . 64.34 107.18 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.78 -102.88 0.81 Allowed Glycine 0 CA--C 1.536 1.38 0 N-CA-C 110.213 -1.155 . . . . 74.52 110.213 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.51 -6.08 19.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.455 1.502 . . . . 65.24 112.439 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -92.73 144.01 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.762 1.225 . . . . 63.52 108.721 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.7 t -131.19 93.56 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.905 -0.776 . . . . 43.32 108.905 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.89 151.59 44.57 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.418 1.087 . . . . 72.25 111.867 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -149.62 144.67 26.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.632 1.208 . . . . 73.41 108.977 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -122.23 158.14 30.1 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.528 1.131 . . . . 63.42 110.14 161.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.68 127.01 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 105.75 -1.944 . . . . 61.45 105.75 165.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 m -126.69 160.15 31.61 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.734 1.614 . . . . 34.43 108.518 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -146.83 140.01 25.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.611 0.764 . . . . 71.15 110.25 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.21 136.17 57.87 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 126.304 1.841 . . . . 73.33 113.81 -171.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 103.301 -2.852 . . . . 70.3 103.301 175.161 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-O 119.06 -0.495 . . . . 73.21 109.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.86 69.36 6.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.223 1.009 . . . . 74.3 108.634 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -135.49 111.22 9.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.882 1.273 . . . . 73.43 109.075 -171.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -172.22 34.67 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.087 -1.205 . . . . 62.3 110.087 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -125.65 136.46 53.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.116 1.366 . . . . 72.05 108.498 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.77 121.7 13.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 73.55 109.724 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.27 145.08 30.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.092 0.557 . . . . 63.23 110.049 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.48 124.35 17.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.584 1.553 . . . . 73.22 111.222 166.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -94.18 -49.41 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 124.407 1.067 . . . . 70.53 109.748 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.7 p -164.43 171.64 14.42 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.157 1.383 . . . . 65.41 110.585 -175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -161.79 147.22 13.37 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.151 1.38 . . . . 74.31 110.235 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.67 142.09 51.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.385 1.874 . . . . 45.34 109.967 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.77 30.1 18.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.057 2.143 . . . . 73.35 112.725 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.1 -50.17 74.74 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.418 1.487 . . . . 63.43 113.195 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.47 -34.35 76.98 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.712 1.257 . . . . 73.44 113.109 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.93 79.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.722 1.209 . . . . 65.25 112.96 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -77.79 -42.99 32.01 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 124.818 1.247 . . . . 65.33 113.906 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.26 65.32 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.337 1.023 . . . . 65.41 111.894 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmmt? -76.82 -37.07 56.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.269 1.427 . . . . 62.15 112.349 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.93 65.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.507 1.299 . . . . 42.34 114.507 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 pt -87.84 -18.84 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 123.919 0.888 . . . . 75.12 112.608 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.17 29.39 9.68 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.272 -1.294 . . . . 70.33 113.393 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.7 146.48 95.81 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 119.512 1.656 . . . . 73.21 109.826 165.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.17 137.49 61.66 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.692 2.261 . . . . 71.41 112.32 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.03 -27.24 63.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.15 1.78 . . . . 74.13 115.088 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.11 -50.56 71.4 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.015 0.926 . . . . 65.14 112.982 168.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.13 -21.54 66.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.044 1.337 . . . . 72.24 113.308 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.72 -61.06 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.85 0.86 . . . . 71.25 109.914 168.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -64.4 -24.26 67.57 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.672 1.73 . . . . 72.51 115.672 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -90.8 -41.27 11.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.296 -0.859 . . . . 74.44 111.262 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.9 -19.51 69.74 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.054 1.312 . . . . 50.4 114.22 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -66.28 -34.51 78.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.834 1.317 . . . . 75.03 113.34 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.95 -17.18 22.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.199 1.4 . . . . 72.31 112.664 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 17.9 mm -72.48 112.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 N-CA-C 108.816 -0.809 . . . . 62.22 108.816 170.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 119.28 10.34 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 124.809 1.318 . . . . 74.41 110.412 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.08 168.24 24.41 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.569 1.168 . . . . 45.33 110.394 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.09 148.41 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.648 1.579 . . . . 70.34 108.092 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -126.26 149.75 48.88 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.171 1.388 . . . . 54.13 109.011 170.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -143.06 109.09 5.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.797 -1.186 . . . . 74.12 107.797 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.25 146.18 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 107.466 -1.309 . . . . 75.4 107.466 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.28 103.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 109.134 -0.691 . . . . 72.01 109.134 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.16 124.78 28.66 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.262 -0.644 . . . . 74.4 109.262 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -126.09 74.23 1.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.136 1.774 . . . . 74.22 106.998 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 -120.87 7.15 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.874 -1.69 . . . . 72.11 108.874 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -25.71 56.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 117.975 -1.012 . . . . 73.11 112.756 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -71.99 147.94 46.42 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.802 0.841 . . . . 54.34 111.586 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 91' ' ' LEU . 39.7 m-85 -141.27 123.27 15.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.202 1.801 . . . . 75.23 109.503 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -91.65 146.07 24.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.531 1.144 . . . . 74.12 110.144 156.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -136.39 100.83 4.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 126.006 1.722 . . . . 74.03 107.853 171.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -95.48 139.63 31.49 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.133 0.896 . . . . 73.11 108.686 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -138.8 133.09 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.025 -1.472 . . . . 71.24 107.025 173.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -130.95 125.29 33.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.301 1.04 . . . . 74.21 108.922 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.17 149.38 4.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.682 1.593 . . . . 71.34 108.935 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 70.18 22.68 77.45 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-O 118.926 -0.93 . . . . 72.42 113.012 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 m 65.67 23.12 11.63 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.4 2.28 . . . . 74.02 114.379 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 151.35 50.45 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.424 1.49 . . . . 75.24 109.472 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.83 141.49 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.904 1.282 . . . . 55.31 108.905 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.99 131.04 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.863 -1.903 . . . . 72.32 105.863 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.83 136.42 54.91 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 124.086 0.866 . . . . 73.31 109.431 167.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -125.14 147.13 49.16 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 125.322 1.639 . . . . 52.35 109.05 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -130.6 137.1 49.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 125.728 1.893 . . . . 44.03 107.992 168.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE2' HG11 ' A' ' 83' ' ' VAL . 52.5 p90 -153.09 170.53 20.26 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.661 1.226 . . . . 73.04 109.964 171.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 m -134.36 127.13 31.04 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.58 137.94 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.672 0.607 . . . . 74.41 111.761 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.39 -13.18 58.69 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.05 1.309 . . . . 74.31 112.334 -172.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -110.04 160.76 16.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.564 1.945 . . . . 65.44 109.412 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -92.72 129.57 38.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.947 0.899 . . . . 71.35 109.984 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.7 m -143.05 156.56 44.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.102 1.361 . . . . 73.13 109.608 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.42 112.98 25.12 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.821 0.848 . . . . 74.34 110.233 -174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -99.19 124.84 44.56 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.943 1.297 . . . . 65.33 110.468 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.6 148.39 27.18 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.709 2.003 . . . . 64.43 110.536 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 p -121.22 172.87 7.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.051 1.341 . . . . 65.2 110.67 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.4 mmt -57.01 -33.16 66.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.114 1.766 . . . . 72.21 114.181 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -75.82 -15.47 60.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.234 1.813 . . . . 54.03 113.611 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.09 60.95 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-O 117.874 -1.514 . . . . 72.11 112.933 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.56 140.46 57.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.852 1.826 . . . . 51.14 111.483 173.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -114.99 133.66 55.84 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 125.184 1.552 . . . . 73.24 107.918 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.78 140.35 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 O-C-N 124.255 0.972 . . . . 52.22 109.565 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -72.14 137.26 46.87 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.158 0.911 . . . . 64.23 111.626 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -165.15 144.94 6.89 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.933 1.395 . . . . 74.41 110.126 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.62 140.17 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.075 0.95 . . . . 71.31 109.092 171.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 63' ' ' PHE . 25.5 t -111.66 139.23 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.186 0.929 . . . . 75.24 108.858 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -113.54 158.26 20.99 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.654 1.581 . . . . 72.33 110.215 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -137.58 137.6 38.71 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.225 1.41 . . . . 74.15 109.046 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.73 159.33 16.84 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.09 1.356 . . . . 65.14 109.657 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.16 21.11 1.8 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.732 1.634 . . . . 74.23 114.179 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.62 22.69 9.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.319 1.848 . . . . 70.11 110.688 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 69.9 30.44 3.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.755 1.622 . . . . 53.43 112.412 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -113.26 148.42 35.61 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.212 1.005 . . . . 75.42 110.346 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 48' ' ' PHE . 33.9 mt -121.7 151.77 40.12 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.546 1.539 . . . . 64.04 108.491 167.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.47 128.39 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 124.492 1.117 . . . . 62.55 108.881 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -146.33 143.26 29.01 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.709 1.204 . . . . 74.54 110.213 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -125.26 120.81 32.25 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.623 0.769 . . . . 73.45 109.89 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -143.92 126.05 15.51 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.413 1.085 . . . . 64.14 109.753 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp 59.4 29.09 18.61 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.009 1.324 . . . . 73.3 113.36 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 t30 72.45 5.5 5.27 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.458 2.303 . . . . 72.01 114.371 -170.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.44 HG12 HD12 ' A' ' 115' ' ' LEU . 27.3 mt -87.0 101.71 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 125.123 1.369 . . . . 73.41 107.889 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -81.75 82.83 7.31 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.251 1.82 . . . . 61.23 109.692 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 t -76.46 137.14 39.5 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.853 0.861 . . . . 34.33 111.62 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -134.75 133.96 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.87 1.668 . . . . 74.23 106.848 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -123.06 153.43 39.9 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.649 1.18 . . . . 45.21 108.882 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -149.67 122.07 8.47 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.647 0.779 . . . . 63.03 110.279 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.8 135.57 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.44 1.496 . . . . 52.4 109.014 168.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.69 81.24 1.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.073 -1.084 . . . . 62.45 108.073 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.15 -104.98 1.66 Allowed Glycine 0 C--N 1.346 1.136 0 N-CA-C 108.815 -1.714 . . . . 44.23 108.815 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -102.57 -2.98 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.384 1.874 . . . . 73.33 112.713 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.1 mm -109.61 137.27 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.527 1.131 . . . . 74.42 109.395 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 50.5 mm -115.02 110.52 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.337 1.055 . . . . 74.32 108.948 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -89.66 141.63 28.43 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.488 1.117 . . . . 74.24 108.821 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.94 146.51 47.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.653 1.581 . . . . 72.21 108.18 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.6 m -142.95 142.43 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.932 1.693 . . . . 72.14 107.499 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 47.0 mtt -137.52 122.23 18.66 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.075 0.95 . . . . 62.25 108.771 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 m -113.23 110.76 20.92 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.921 0.763 . . . . 72.1 109.938 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.44 HD12 HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -120.33 107.86 13.46 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.636 -1.246 . . . . 64.34 107.636 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.55 -94.69 0.66 Allowed Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.587 -1.405 . . . . 74.52 109.587 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -124.56 -5.28 7.64 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.47 1.508 . . . . 65.24 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.5 mm -84.4 112.45 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.676 0.791 . . . . 63.52 109.419 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.1 t -100.94 84.46 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.451 1.094 . . . . 43.32 108.112 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.88 144.22 50.76 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.497 1.119 . . . . 72.25 110.683 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -148.27 145.02 28.02 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.437 1.086 . . . . 73.41 109.153 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.73 139.4 29.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.383 1.873 . . . . 63.42 108.292 -163.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.02 124.52 46.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.728 -1.212 . . . . 61.45 107.728 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 m -134.26 154.97 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.462 1.505 . . . . 34.43 109.696 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -144.03 142.98 30.97 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.662 1.185 . . . . 71.15 110.003 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -53.07 135.23 37.69 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 126.61 1.964 . . . . 73.33 114.02 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 124.419 2.057 . . . . 70.3 106.462 176.214 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 120.443 0.164 . . . . 73.21 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -55.89 -25.21 41.62 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.048 1.87 . . . . 74.3 116.048 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -59.01 134.83 57.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.412 1.485 . . . . 73.43 114.995 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.94 177.76 19.11 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 124.688 1.243 . . . . 62.3 110.076 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -102.66 140.24 37.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.739 1.616 . . . . 72.05 109.51 171.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -139.7 109.75 6.45 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.919 1.288 . . . . 73.55 109.856 -173.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -75.15 141.46 43.69 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.966 0.506 . . . . 63.23 111.045 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.24 130.27 38.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.857 2.063 . . . . 73.22 112.658 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -103.43 -58.38 1.88 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.835 1.334 . . . . 70.53 109.908 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -153.25 161.98 41.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.594 1.158 . . . . 65.41 110.963 -170.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -156.33 148.19 22.97 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.371 1.044 . . . . 74.31 110.419 173.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -121.19 142.03 50.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.052 1.741 . . . . 45.34 108.895 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 58.04 36.91 26.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.977 2.111 . . . . 73.35 112.772 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.21 -53.36 57.89 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.786 1.234 . . . . 63.43 112.366 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -40.01 95.07 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.088 1.755 . . . . 73.44 112.437 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.4 85.24 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.569 1.548 . . . . 65.25 112.875 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -75.85 -42.8 48.5 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 124.233 1.013 . . . . 65.33 113.019 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -27.92 67.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.331 1.019 . . . . 65.41 112.493 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.45 -48.29 56.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 62.15 111.601 166.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.37 73.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.916 1.45 . . . . 42.34 114.916 -173.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.85 -17.27 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 N-CA-C 113.567 0.951 . . . . 75.12 113.567 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 18.64 28.99 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 118.094 -1.392 . . . . 70.33 113.182 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.05 140.91 88.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.618 1.709 . . . . 73.21 109.863 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -64.92 143.66 80.19 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.664 2.242 . . . . 71.41 112.109 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.71 -30.55 44.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.202 1.556 . . . . 74.13 115.202 -173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.32 -34.05 74.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.383 -0.818 . . . . 65.14 113.069 177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.92 -20.62 59.63 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 117.88 -1.057 . . . . 72.24 113.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.26 -53.85 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.447 0.699 . . . . 71.25 109.953 171.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -67.47 -22.02 65.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.89 1.441 . . . . 72.51 114.89 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -90.25 -46.69 8.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.643 0.777 . . . . 74.44 110.562 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -19.18 70.29 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.326 1.441 . . . . 50.4 114.562 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.07 -26.44 66.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.888 1.344 . . . . 75.03 113.381 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -110.12 -8.51 14.78 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.945 1.698 . . . . 72.31 113.787 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.652 HG21 ' H ' ' A' ' 55' ' ' GLY . 47.6 mm -75.4 103.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 119.527 1.058 . . . . 62.22 109.159 170.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 98.22 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.275 2.23 . . . . 74.41 111.241 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.18 165.15 54.59 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.382 1.051 . . . . 45.33 111.677 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.24 137.94 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 107.565 -1.272 . . . . 70.34 107.565 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 t -111.21 156.85 20.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.113 1.365 . . . . 54.13 108.637 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -142.21 144.45 33.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.224 -1.398 . . . . 74.12 107.224 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -138.16 151.2 24.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.751 -1.203 . . . . 75.4 107.751 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 t -141.32 140.81 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.317 1.447 . . . . 72.01 107.296 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -123.66 126.08 45.94 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.419 1.088 . . . . 74.4 108.752 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -133.91 70.09 1.46 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.33 1.852 . . . . 74.22 108.063 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.65 -114.51 5.14 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.427 -1.469 . . . . 72.11 109.427 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.06 -29.93 49.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.472 1.109 . . . . 73.11 112.468 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.59 137.98 44.62 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 54.34 110.889 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -124.89 149.92 47.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.654 1.582 . . . . 75.23 108.864 169.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -132.06 132.08 43.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.882 -1.525 . . . . 74.12 106.882 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -115.55 149.58 37.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.303 1.441 . . . . 74.03 109.137 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -130.48 140.67 50.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.321 1.848 . . . . 73.11 106.915 166.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -137.58 122.72 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.2 -1.778 . . . . 71.24 106.2 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -123.09 112.54 17.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.943 1.297 . . . . 74.21 108.484 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.48 139.25 5.56 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.696 1.198 . . . . 71.34 109.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.652 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 84.04 32.07 24.41 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-O 118.755 -1.025 . . . . 72.42 112.284 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t 65.17 28.59 12.12 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.487 1.915 . . . . 74.02 113.213 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 150.91 32.23 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.192 1.397 . . . . 75.24 109.243 -177.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.2 t -110.91 141.47 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.146 1.379 . . . . 55.31 108.549 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.79 135.74 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.076 -1.824 . . . . 72.32 106.076 165.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -123.64 143.52 50.19 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.383 1.073 . . . . 73.31 108.705 165.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -144.59 113.66 6.9 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.811 1.245 . . . . 52.35 109.922 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -79.79 152.24 29.88 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 125.317 1.636 . . . . 44.03 110.409 161.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -163.5 163.34 24.76 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.122 1.369 . . . . 73.04 109.431 161.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -127.16 122.59 34.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.405 -1.332 . . . . 74.33 107.405 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.66 125.83 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 124.096 0.873 . . . . 74.41 110.975 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.07 -11.01 58.68 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-O 117.985 -1.453 . . . . 74.31 111.954 -171.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -119.19 158.19 26.46 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.614 1.707 . . . . 65.44 111.112 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.4 125.26 30.84 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.61 1.194 . . . . 71.35 110.585 169.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.7 m -134.93 154.06 51.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.68 1.592 . . . . 73.13 108.495 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.63 113.32 25.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.368 0.667 . . . . 74.34 111.027 -177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.24 132.9 36.99 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.279 1.432 . . . . 65.33 109.948 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.24 139.8 30.25 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.174 1.39 . . . . 64.43 109.644 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.9 p -100.81 175.12 5.74 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.001 1.321 . . . . 65.2 111.53 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.7 mtt -67.39 -26.49 66.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.69 1.196 . . . . 72.21 114.116 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -78.91 -16.48 56.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.553 1.141 . . . . 54.03 112.891 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.81 5.57 61.15 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.757 -1.024 . . . . 72.11 112.718 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.27 154.25 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.967 1.307 . . . . 51.14 110.855 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -126.21 129.2 48.5 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.218 1.007 . . . . 73.24 108.842 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.3 m -144.49 134.45 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.737 1.215 . . . . 52.22 111.19 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -71.45 143.55 50.03 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.068 1.347 . . . . 64.23 113.03 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -171.49 147.65 2.41 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.071 1.482 . . . . 74.41 110.898 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -77.11 140.05 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.011 . . . . 71.31 110.228 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.52 142.96 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.477 1.11 . . . . 75.24 108.699 170.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -120.2 157.8 28.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.129 1.772 . . . . 72.33 109.01 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -133.96 132.57 40.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.712 1.205 . . . . 74.15 108.991 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -94.43 -171.15 2.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.534 1.534 . . . . 65.14 110.334 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.98 -27.51 33.94 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 119.03 -0.872 . . . . 74.23 112.918 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -91.59 29.38 1.52 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.491 1.517 . . . . 70.11 111.94 -170.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.01 42.89 9.51 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.102 1.761 . . . . 53.43 111.3 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -117.46 121.4 40.94 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.951 0.901 . . . . 75.42 109.588 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.78 149.47 25.72 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.101 0.876 . . . . 64.04 109.277 163.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.6 t -141.79 130.92 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.566 1.166 . . . . 62.55 108.103 172.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 t -160.79 171.6 18.52 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.498 1.519 . . . . 74.54 109.863 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 p -141.54 139.78 33.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.494 1.518 . . . . 73.45 109.346 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -149.77 122.0 8.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.009 0.924 . . . . 64.14 108.659 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.27 42.23 28.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.855 1.662 . . . . 73.3 114.411 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.9 t30 73.17 -3.14 2.52 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.176 1.79 . . . . 72.01 113.789 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.8 mt -91.2 97.72 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.742 -1.207 . . . . 73.41 107.742 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.28 133.14 52.17 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.916 0.886 . . . . 61.23 109.402 164.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 p -135.47 111.6 9.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.513 1.133 . . . . 34.33 109.341 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.88 132.26 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 O-C-N 125.393 1.683 . . . . 74.23 107.315 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.4 m -115.6 150.58 36.44 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.96 -1.126 . . . . 45.21 107.96 167.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -142.64 133.78 25.96 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.881 0.738 . . . . 63.03 110.467 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 141.21 30.73 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.263 1.825 . . . . 52.4 108.275 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -140.66 74.28 1.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.648 -1.242 . . . . 62.45 107.648 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.38 -92.55 0.5 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.143 1.354 . . . . 44.23 110.603 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 4.19 21.86 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.643 1.977 . . . . 73.33 111.917 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.0 mm -117.87 142.65 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.173 1.389 . . . . 74.42 108.245 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.8 mm -124.36 128.59 73.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.416 1.086 . . . . 74.32 108.893 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.4 m -114.26 148.69 37.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.387 . . . . 74.24 108.941 172.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -131.24 150.42 52.15 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.206 1.402 . . . . 72.21 108.365 163.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.5 m -138.66 112.73 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.563 1.545 . . . . 72.14 107.054 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 38.0 mmm -115.42 89.2 3.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.199 1.4 . . . . 62.25 108.329 -173.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -81.99 119.23 23.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.588 1.555 . . . . 72.1 111.334 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -120.3 77.5 1.27 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.759 1.223 . . . . 64.34 107.992 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.89 -112.59 4.95 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.946 1.26 . . . . 74.52 110.332 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.47 -12.6 61.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.455 1.902 . . . . 65.24 113.559 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.69 140.77 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.624 1.17 . . . . 63.52 108.827 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.27 85.69 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.521 -0.918 . . . . 43.32 108.521 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -70.11 145.5 51.54 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.199 0.6 . . . . 72.25 110.536 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -146.01 149.21 33.71 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 107.567 -1.271 . . . . 73.41 107.567 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -146.61 146.14 30.32 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.296 1.438 . . . . 63.42 109.139 -170.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.97 133.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.434 1.493 . . . . 61.45 107.495 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.8 m -136.92 156.23 48.73 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.073 1.749 . . . . 34.43 108.941 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -139.07 141.03 38.21 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.612 1.165 . . . . 71.15 109.144 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.93 137.46 58.03 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.341 1.026 . . . . 73.33 113.409 -170.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 125.392 2.52 . . . . 70.3 107.804 178.213 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.195 -1.039 . . . . 73.21 108.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 41' ' ' ILE . 78.7 m-85 -61.04 -23.37 65.38 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.253 1.575 . . . . 74.3 115.253 -174.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -51.68 124.37 12.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.734 2.014 . . . . 73.43 114.392 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.97 173.11 16.92 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.563 1.078 . . . . 62.3 110.443 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -96.15 142.93 27.74 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.092 1.357 . . . . 72.05 111.595 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -143.47 115.17 8.17 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.204 1.402 . . . . 73.55 108.243 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -72.78 144.06 47.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.738 -0.648 . . . . 63.23 110.567 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.0 125.67 24.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.128 1.371 . . . . 73.22 110.659 170.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.15 -39.92 5.12 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.697 1.248 . . . . 70.53 110.748 -171.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -165.27 163.58 20.05 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.921 1.289 . . . . 65.41 109.484 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.86 158.35 34.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.954 1.302 . . . . 74.31 110.489 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -149.84 134.62 17.71 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.628 1.171 . . . . 45.34 109.147 -171.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 60.45 30.99 20.21 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.11 2.164 . . . . 73.35 112.573 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.3 -52.68 64.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.768 1.227 . . . . 63.43 112.421 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.6 -38.97 92.26 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.455 1.097 . . . . 73.44 113.501 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.03 89.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.613 1.165 . . . . 65.25 112.714 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -73.62 -43.78 58.74 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.419 1.087 . . . . 65.33 113.518 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.494 ' SD ' HD22 ' A' ' 24' ' ' LEU . 4.9 tpp -67.43 -23.69 65.56 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 65.41 112.354 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -80.39 -41.46 24.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.971 0.908 . . . . 62.15 111.381 168.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.604 1.335 . . . . 42.34 114.604 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.525 HD12 HD13 ' A' ' 24' ' ' LEU . 37.5 pt -76.83 -19.54 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.316 1.046 . . . . 75.12 113.509 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 23.3 15.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 117.942 -1.477 . . . . 70.33 113.5 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 HD12 ' A' ' 22' ' ' ILE . 4.0 mp -76.02 144.32 75.51 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 120.069 1.934 . . . . 73.21 109.699 168.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.29 138.41 55.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.856 2.371 . . . . 71.41 112.217 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.0 -20.22 65.74 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.059 1.503 . . . . 74.13 115.059 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.64 -49.81 76.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.644 1.178 . . . . 65.14 112.278 165.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.46 -16.48 62.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.506 1.522 . . . . 72.24 113.404 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -76.98 -50.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.024 0.929 . . . . 71.25 110.64 169.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -63.88 -32.07 73.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.802 1.038 . . . . 72.51 113.802 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -83.29 -41.67 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 74.44 111.894 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.26 -24.81 76.57 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-O 118.662 -1.076 . . . . 50.4 113.44 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -75.15 -29.55 60.51 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.669 1.235 . . . . 75.03 112.117 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.11 -45.68 32.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.953 1.701 . . . . 72.31 111.313 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 10.9 mm -64.53 109.01 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.095 1.358 . . . . 62.22 110.876 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -72.21 102.81 3.16 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.703 1.201 . . . . 74.41 109.776 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.55 179.12 53.31 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.977 1.423 . . . . 45.33 112.284 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.6 t -136.06 144.9 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.504 1.521 . . . . 70.34 109.145 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -115.67 149.48 38.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.374 1.47 . . . . 54.13 108.911 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -136.41 121.0 18.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.776 -1.564 . . . . 74.12 106.776 168.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 3' ' ' PHE . 44.6 mt -112.51 147.73 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.778 -1.193 . . . . 75.4 107.778 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.43 141.56 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 107.537 -1.283 . . . . 72.01 107.537 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -123.17 124.27 42.66 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.446 1.099 . . . . 74.4 108.603 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -129.82 59.77 1.61 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.477 1.911 . . . . 74.22 108.356 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.75 -121.11 6.59 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 108.726 -1.75 . . . . 72.11 108.726 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -27.97 61.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.453 1.101 . . . . 73.11 112.76 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -75.16 144.46 42.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.349 0.66 . . . . 54.34 110.854 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.31 159.45 40.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.575 1.95 . . . . 75.23 109.733 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -138.08 138.02 38.33 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.463 1.102 . . . . 74.12 108.081 168.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.0 96.34 4.32 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.384 1.474 . . . . 74.03 109.346 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -88.61 136.8 32.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.331 1.02 . . . . 73.11 109.486 170.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.1 mt -137.21 133.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.258 -1.386 . . . . 71.24 107.258 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.6 m -126.44 124.38 40.01 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.08 1.352 . . . . 74.21 108.909 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.05 137.04 1.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.773 1.229 . . . . 71.34 109.375 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 75.28 31.94 56.4 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.867 -0.963 . . . . 72.42 112.816 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.5 m 67.72 22.69 8.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.906 2.082 . . . . 74.02 114.346 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 159.99 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.625 1.57 . . . . 75.24 109.451 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.84 136.72 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 124.643 1.215 . . . . 55.31 109.384 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 146.96 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 126.355 1.862 . . . . 72.32 107.952 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -136.79 127.52 27.19 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.176 0.99 . . . . 73.31 110.41 164.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -122.29 93.02 3.85 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.39 1.476 . . . . 52.35 109.592 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -67.92 136.71 54.42 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 124.152 0.907 . . . . 44.03 109.806 157.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -160.08 155.36 25.09 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.281 1.032 . . . . 73.04 109.492 167.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -121.62 127.1 50.49 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.936 -1.135 . . . . 74.33 107.936 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.67 130.93 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.05 0.844 . . . . 74.41 111.094 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.47 -6.91 82.93 Favored Glycine 0 CA--C 1.542 1.728 0 CA-C-O 118.142 -1.366 . . . . 74.31 112.856 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -119.78 162.95 18.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.375 1.588 . . . . 65.44 110.249 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.77 141.45 32.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.976 0.911 . . . . 71.35 110.43 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.75 155.63 37.56 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.086 1.754 . . . . 73.13 108.716 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -85.65 122.14 29.33 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.684 0.615 . . . . 74.34 111.465 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.52 110.74 22.16 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 124.649 1.218 . . . . 65.33 109.239 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.17 102.93 0.43 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.353 1.861 . . . . 64.43 110.357 164.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 p -73.3 174.4 8.14 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.649 1.179 . . . . 65.2 111.636 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.6 mmt -60.77 -26.48 67.28 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.337 1.606 . . . . 72.21 115.337 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -81.51 -13.44 58.12 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.01 1.324 . . . . 54.03 113.25 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.81 -9.85 62.15 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.414 1.483 . . . . 72.11 111.902 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.28 131.63 46.98 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 118.93 1.365 . . . . 51.14 110.944 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.61 140.72 34.48 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.245 0.965 . . . . 73.24 109.885 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.69 138.07 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.984 0.914 . . . . 52.22 110.689 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -64.3 139.8 58.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.829 1.652 . . . . 64.23 113.036 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -170.08 152.63 4.34 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.763 1.289 . . . . 74.41 110.916 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.71 136.75 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.796 1.238 . . . . 71.31 108.948 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 91' ' ' LEU . 45.5 t -110.89 143.76 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.757 1.223 . . . . 75.24 109.174 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 145.36 51.41 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.317 1.047 . . . . 72.33 110.721 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.46 130.26 56.66 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.331 1.453 . . . . 74.15 109.989 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -94.12 160.34 14.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.015 1.326 . . . . 65.14 109.939 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.31 -4.18 42.66 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 124.963 1.268 . . . . 74.23 114.54 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -107.3 37.44 2.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.474 1.91 . . . . 70.11 111.947 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.95 29.23 10.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.942 1.697 . . . . 53.43 113.334 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -127.62 119.44 25.91 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.219 0.608 . . . . 75.42 111.568 -166.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 83' ' ' VAL . 4.0 mm? -82.79 150.03 26.86 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.699 1.25 . . . . 64.04 110.094 166.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.3 t -134.25 126.65 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.02 -1.474 . . . . 62.55 107.02 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.1 t -148.21 153.23 38.48 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.408 1.483 . . . . 74.54 109.867 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.8 m -137.68 131.34 31.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.453 0.701 . . . . 73.45 110.731 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.0 127.79 11.73 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.134 0.974 . . . . 64.14 110.132 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 50.0 45.68 25.05 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.838 1.655 . . . . 73.3 114.594 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 75.39 2.62 3.88 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.147 1.779 . . . . 72.01 113.999 -176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mt -103.53 102.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.994 1.318 . . . . 73.41 108.809 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -83.3 108.58 16.6 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.65 0.78 . . . . 61.23 109.542 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 t -99.36 142.41 30.88 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.503 1.521 . . . . 34.33 110.829 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.56 121.84 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.051 1.34 . . . . 74.23 107.628 174.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.1 m -99.52 152.7 19.71 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.502 1.126 . . . . 45.21 109.259 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -138.94 131.09 28.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.829 1.652 . . . . 63.03 107.327 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.62 136.36 35.01 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.52 -1.289 . . . . 52.4 107.52 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.5 72.92 1.33 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.591 -0.892 . . . . 62.45 108.591 -176.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.69 -118.55 6.59 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 108.627 -1.789 . . . . 44.23 108.627 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.92 5.98 37.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.782 1.633 . . . . 73.33 112.83 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.5 mm -112.31 149.29 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.361 1.464 . . . . 74.42 108.727 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.1 mm -126.15 134.23 66.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.502 1.121 . . . . 74.32 108.34 167.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.8 m -111.19 140.63 45.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.645 -0.872 . . . . 74.24 108.645 166.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -133.82 108.4 8.44 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.466 1.507 . . . . 72.21 108.344 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -104.9 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.297 1.439 . . . . 72.14 109.491 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 48.9 mtt -135.87 161.17 36.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.852 1.661 . . . . 62.25 109.63 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 94.3 m -149.16 108.43 3.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.603 0.761 . . . . 72.1 110.367 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -117.3 102.4 9.22 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.096 1.758 . . . . 64.34 109.436 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.47 -111.32 3.6 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.091 -1.603 . . . . 74.52 109.091 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -106.23 3.94 28.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.863 1.665 . . . . 65.24 113.407 168.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.9 mm -93.99 90.72 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 109.158 -0.682 . . . . 63.52 109.158 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -74.73 131.12 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.313 -0.995 . . . . 43.32 108.313 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -118.74 148.9 42.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.372 1.869 . . . . 72.25 108.488 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 tmmt? -148.77 141.22 24.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.765 0.666 . . . . 73.41 109.812 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -138.11 150.16 46.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.322 1.849 . . . . 63.42 108.583 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.37 135.74 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.749 -1.574 . . . . 61.45 106.749 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.2 m -127.14 157.67 39.11 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.967 1.707 . . . . 34.43 109.039 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -144.05 145.34 32.12 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.884 0.874 . . . . 71.15 109.823 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -55.84 139.17 46.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.52 1.928 . . . . 73.33 113.699 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 105.533 -2.025 . . . . 70.3 105.533 177.349 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.065 -0.346 . . . . 73.21 110.065 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -63.85 -20.95 66.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.726 1.21 . . . . 74.3 113.662 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.7 p -50.03 110.13 0.36 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.587 2.355 . . . . 73.43 113.925 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.24 170.46 24.85 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.399 -1.08 . . . . 62.3 110.399 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -109.19 141.93 40.73 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.392 1.477 . . . . 72.05 109.414 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -136.29 162.59 32.56 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.939 1.696 . . . . 73.55 109.988 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -137.74 142.93 40.98 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.651 0.78 . . . . 63.23 109.915 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.17 117.99 2.94 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.684 2.794 . . . . 73.22 112.256 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -94.88 -44.08 7.9 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 125.064 1.478 . . . . 70.53 110.517 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -164.57 160.08 19.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.643 1.177 . . . . 65.41 110.704 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.62 147.47 17.17 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.39 1.076 . . . . 74.31 110.947 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.9 140.14 50.14 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.149 1.78 . . . . 45.34 108.384 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 57.78 37.96 27.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.24 1.816 . . . . 73.35 113.03 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.2 -52.52 64.96 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.122 0.969 . . . . 63.43 113.329 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.42 -30.93 71.4 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.682 1.239 . . . . 73.44 113.199 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.83 82.34 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.489 1.116 . . . . 65.25 112.601 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -75.81 -43.46 46.03 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.633 1.173 . . . . 65.33 113.466 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -26.96 66.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.537 1.135 . . . . 65.41 112.661 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -74.77 -43.27 55.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.154 1.381 . . . . 62.15 112.101 168.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.96 79.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 42.34 114.581 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.432 HD12 HD13 ' A' ' 24' ' ' LEU . 45.5 pt -72.22 -23.48 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-O 118.059 -0.972 . . . . 75.12 113.601 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 21.77 15.44 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 118.171 -1.349 . . . . 70.33 112.952 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 22' ' ' ILE . 1.8 mp -71.22 141.69 86.39 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 119.481 1.64 . . . . 73.21 109.361 167.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -64.6 142.19 76.43 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.269 1.98 . . . . 71.41 111.872 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.14 -24.7 56.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 74.13 114.749 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.46 -48.59 80.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.411 1.484 . . . . 65.14 112.394 170.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.0 -15.57 60.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 72.24 113.684 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.74 -52.75 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.366 0.666 . . . . 71.25 109.748 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -67.42 -27.81 67.37 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.347 1.24 . . . . 72.51 114.347 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -82.02 -47.17 12.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.004 0.922 . . . . 74.44 111.737 172.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.21 -20.42 79.65 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.403 -1.221 . . . . 50.4 114.301 -170.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -65.68 -31.5 72.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.873 1.336 . . . . 75.03 113.593 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -91.03 -19.52 23.1 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.697 1.599 . . . . 72.31 111.871 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.84 142.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.55 1.54 . . . . 62.22 111.994 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -77.62 67.05 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.783 1.633 . . . . 74.41 109.331 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.63 138.86 48.85 Favored Glycine 0 C--N 1.347 1.186 0 C-N-CA 125.806 1.67 . . . . 45.33 111.261 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.54 143.72 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.776 0.83 . . . . 70.34 109.191 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -124.01 154.4 39.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.638 1.175 . . . . 54.13 108.974 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -141.45 141.29 33.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.048 -2.205 . . . . 74.12 105.048 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mt -133.63 139.62 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 107.034 -1.469 . . . . 75.4 107.034 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.32 139.66 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.013 -1.476 . . . . 72.01 107.013 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.02 111.85 17.08 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.808 -1.182 . . . . 74.4 107.808 172.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -119.64 68.55 0.82 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.297 1.839 . . . . 74.22 107.935 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.7 -122.42 8.38 Favored Glycine 0 CA--C 1.533 1.166 0 N-CA-C 109.337 -1.505 . . . . 72.11 109.337 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -71.11 -32.26 68.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 73.11 112.47 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -72.95 140.07 47.18 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.058 0.849 . . . . 54.34 110.61 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -125.73 153.65 43.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.776 1.63 . . . . 75.23 109.05 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -129.43 147.68 51.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.524 1.14 . . . . 74.12 108.062 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -119.24 150.01 40.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 124.771 1.294 . . . . 74.03 108.359 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -129.15 136.04 49.65 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.429 -1.693 . . . . 73.11 106.429 163.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.69 110.52 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.102 -1.444 . . . . 71.24 107.102 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -105.46 137.51 43.16 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.295 1.438 . . . . 74.21 109.946 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.05 -163.65 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.226 1.41 . . . . 71.34 110.18 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.03 -19.71 51.74 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.998 1.761 . . . . 72.42 116.312 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.0 p -163.12 22.7 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.867 1.333 . . . . 74.02 112.711 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 157.61 39.99 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.496 0.718 . . . . 75.24 111.371 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.11 129.69 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 125.18 1.392 . . . . 55.31 108.312 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mt -105.84 146.84 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 126.02 1.728 . . . . 72.32 107.049 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -137.13 141.56 42.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.654 0.782 . . . . 73.31 110.721 165.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -128.5 95.12 4.04 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.886 1.275 . . . . 52.35 108.864 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -73.23 131.92 42.55 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.103 0.877 . . . . 44.03 108.978 160.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.59 165.19 31.16 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.045 0.841 . . . . 73.04 110.839 171.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -129.73 133.0 46.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.467 1.107 . . . . 74.33 108.42 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 135.4 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 123.851 0.72 . . . . 74.41 111.932 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.96 7.45 88.51 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.918 1.247 . . . . 74.31 112.937 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.56 148.65 52.38 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.725 1.61 . . . . 65.44 109.846 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.2 127.3 32.17 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.836 0.71 . . . . 71.35 111.025 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.0 m -143.6 149.2 37.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.522 1.529 . . . . 73.13 109.268 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -80.96 113.63 19.3 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.18 0.592 . . . . 74.34 111.775 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.49 124.05 34.16 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.665 1.228 . . . . 65.33 108.496 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -77.31 129.66 36.15 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.654 1.221 . . . . 64.43 109.806 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 p -92.18 164.51 13.54 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.237 1.015 . . . . 65.2 110.424 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.9 mtt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 115.458 1.651 . . . . 72.21 115.458 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 p -77.53 -8.54 57.97 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.025 1.33 . . . . 54.03 114.229 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.57 15.81 57.8 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-O 118.769 -1.017 . . . . 72.11 112.25 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.59 160.18 26.52 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.609 1.205 . . . . 51.14 110.032 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -132.67 137.5 46.98 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.779 0.832 . . . . 73.24 109.358 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.2 m -145.52 138.27 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 124.288 0.993 . . . . 52.22 111.401 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.24 134.27 44.24 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.216 1.806 . . . . 64.23 111.259 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -165.93 151.6 8.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.094 0.957 . . . . 74.41 111.167 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -98.61 122.2 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.453 1.101 . . . . 71.31 109.33 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.43 146.34 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 124.275 0.985 . . . . 75.24 108.841 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -124.73 155.09 39.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.56 1.144 . . . . 72.33 109.501 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 tt -122.56 125.76 46.36 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.445 1.091 . . . . 74.15 109.339 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -90.1 156.04 18.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.882 1.673 . . . . 65.14 109.041 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.87 3.63 9.27 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.955 1.264 . . . . 74.23 114.823 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -107.73 27.25 9.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.835 2.054 . . . . 70.11 112.344 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.91 27.36 2.14 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.643 1.977 . . . . 53.43 112.779 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -126.2 120.54 30.31 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.429 0.691 . . . . 75.42 112.535 -162.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -90.75 141.28 28.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.216 1.406 . . . . 64.04 109.509 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.49 135.43 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.933 1.293 . . . . 62.55 109.347 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -160.69 171.99 17.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.921 1.288 . . . . 74.54 111.299 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.3 p -139.43 143.57 37.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.315 1.846 . . . . 73.45 108.58 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -155.01 116.31 4.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.133 0.973 . . . . 64.14 109.611 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 56.74 38.46 29.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.591 1.556 . . . . 73.3 113.53 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.72 1.58 3.46 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.528 1.931 . . . . 72.01 114.237 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.16 89.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 107.461 -1.311 . . . . 73.41 107.461 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.63 136.51 56.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.115 1.766 . . . . 61.23 108.857 165.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -140.32 129.65 23.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.082 0.953 . . . . 34.33 108.57 -173.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.17 128.05 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.356 -1.72 . . . . 74.23 106.356 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 m -120.47 125.73 48.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.901 -1.148 . . . . 45.21 107.901 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -121.74 121.19 36.72 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.446 1.091 . . . . 63.03 109.952 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 tp -83.25 127.49 33.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.824 1.25 . . . . 52.4 109.173 168.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -127.92 80.66 1.97 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.064 -1.458 . . . . 62.45 107.064 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.97 -100.71 0.72 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.496 1.046 . . . . 44.23 110.564 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.69 -4.7 40.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.909 1.684 . . . . 73.33 112.407 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.83 143.84 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.814 1.246 . . . . 74.42 109.022 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -120.25 109.12 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.668 1.187 . . . . 74.32 108.015 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -90.1 137.21 32.53 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.291 0.994 . . . . 74.24 108.433 168.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.85 137.36 53.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.43 1.492 . . . . 72.21 107.549 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.3 m -130.43 117.41 19.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.597 -1.631 . . . . 72.14 106.597 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.2 mmm -114.44 136.96 52.43 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.588 -1.264 . . . . 62.25 107.588 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.3 m -134.33 118.89 18.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.23 0.612 . . . . 72.1 109.639 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -120.5 99.35 6.5 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.171 -1.788 . . . . 64.34 106.171 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.61 -123.67 22.91 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 109.386 -1.486 . . . . 74.52 109.386 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.88 -19.45 40.88 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.674 1.19 . . . . 65.24 112.436 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.17 98.92 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.556 0.743 . . . . 63.52 110.305 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.17 107.3 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 124.541 1.15 . . . . 43.32 108.239 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -91.43 134.03 34.97 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 72.25 108.767 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -121.18 143.16 49.27 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.292 -1.373 . . . . 73.41 107.292 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.37 136.62 28.04 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.417 1.887 . . . . 63.42 107.65 -173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.66 130.0 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.034 -1.469 . . . . 61.45 107.034 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.1 m -133.12 154.85 50.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.606 1.562 . . . . 34.43 108.879 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -141.94 147.19 36.62 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.082 0.953 . . . . 71.15 109.744 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -56.54 134.34 54.14 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.655 1.982 . . . . 73.33 114.218 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 104.157 -2.534 . . . . 70.3 104.157 174.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 108.743 -0.836 . . . . 73.21 108.743 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.21 -17.91 59.6 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.272 1.212 . . . . 74.3 114.272 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -56.78 141.85 42.85 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.947 1.699 . . . . 73.43 114.775 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.61 171.76 12.98 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.109 1.338 . . . . 62.3 110.889 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -81.48 141.92 33.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.467 1.507 . . . . 72.05 110.637 171.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -141.15 112.57 7.47 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.021 1.328 . . . . 73.55 107.849 173.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 127' ' ' ILE . 10.0 tt0 -63.19 143.63 57.62 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 118.729 -0.653 . . . . 63.23 109.812 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tt -72.28 129.71 39.06 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.036 0.835 . . . . 73.22 109.621 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.27 -55.24 3.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 124.166 0.916 . . . . 70.53 110.606 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -161.04 162.33 31.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.683 1.193 . . . . 65.41 110.716 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -155.8 139.65 16.22 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 124.349 1.031 . . . . 74.31 111.633 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.7 143.82 45.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.466 1.906 . . . . 45.34 109.78 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.28 33.55 22.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.217 2.207 . . . . 73.35 112.28 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.36 -48.42 75.6 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.564 1.146 . . . . 63.43 112.756 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -62.29 -41.3 98.37 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.366 1.467 . . . . 73.44 111.742 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.53 84.24 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.555 1.542 . . . . 65.25 113.155 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.56 -42.05 53.22 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.759 1.224 . . . . 65.33 113.594 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.7 64.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.295 1.038 . . . . 65.41 112.214 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -75.84 -38.98 57.49 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.995 1.318 . . . . 62.15 112.094 169.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.89 71.97 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.415 1.265 . . . . 42.34 114.415 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 HD13 ' A' ' 24' ' ' LEU . 41.9 pt -76.02 -22.21 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 113.363 0.875 . . . . 75.12 113.363 172.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 23.98 13.49 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.185 -1.342 . . . . 70.33 113.141 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 22' ' ' ILE . 2.7 mp -69.95 143.88 92.36 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.633 1.716 . . . . 73.21 109.386 166.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -64.78 137.98 56.21 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.423 2.082 . . . . 71.41 111.89 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -51.28 -31.73 22.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.59 1.556 . . . . 74.13 114.479 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.61 -49.63 75.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.037 1.335 . . . . 65.14 112.08 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.38 -17.17 60.85 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.801 1.241 . . . . 72.24 114.182 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.6 mt -72.89 -54.96 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.831 0.741 . . . . 71.25 109.886 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -69.7 -25.21 63.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.008 1.114 . . . . 72.51 114.008 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -83.56 -38.14 22.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.386 1.074 . . . . 74.44 111.98 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.32 -22.91 61.82 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 118.342 -1.254 . . . . 50.4 113.749 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -62.56 -34.35 76.77 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.915 1.358 . . . . 75.03 113.633 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.04 -20.7 37.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.968 1.707 . . . . 72.31 112.98 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -90.97 98.4 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.208 1.003 . . . . 62.22 108.947 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -77.88 105.36 9.02 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.605 -0.887 . . . . 74.41 108.605 169.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.36 -152.54 20.94 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.517 1.136 . . . . 45.33 111.221 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.9 t -137.56 144.71 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.608 . . . . 70.34 108.978 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -112.04 150.25 30.91 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.394 1.478 . . . . 54.13 108.435 167.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -145.98 121.11 10.12 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.417 -0.957 . . . . 74.12 108.417 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mt -117.51 150.14 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 124.52 1.138 . . . . 75.4 108.319 -168.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.14 95.82 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 108.962 -0.755 . . . . 72.01 108.962 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -75.23 132.1 40.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.256 0.622 . . . . 74.4 110.116 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -132.99 66.13 1.57 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.283 2.233 . . . . 74.22 107.234 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.37 -105.2 1.37 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.259 -1.536 . . . . 72.11 109.259 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -31.69 54.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.641 1.176 . . . . 73.11 112.944 175.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -78.83 152.08 31.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.681 0.673 . . . . 54.34 111.814 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -144.77 124.36 13.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.973 2.109 . . . . 75.23 108.6 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -100.4 143.93 30.0 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.12 108.089 165.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -136.26 108.38 7.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.488 1.515 . . . . 74.03 109.339 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -101.81 139.92 36.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.491 1.116 . . . . 73.11 108.696 169.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.33 119.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.123 -1.436 . . . . 71.24 107.123 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -124.24 109.18 13.08 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.392 1.077 . . . . 74.21 108.972 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.41 134.75 9.36 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.902 0.881 . . . . 71.34 110.233 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 20.98 58.78 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 118.56 -1.133 . . . . 72.42 112.86 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t 69.73 39.67 1.46 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.912 2.085 . . . . 74.02 112.648 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 153.8 39.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.771 1.628 . . . . 75.24 108.491 172.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.33 137.12 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 124.677 1.235 . . . . 55.31 109.008 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.94 141.82 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 127.09 2.156 . . . . 72.32 106.747 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -139.41 137.7 35.88 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.854 0.861 . . . . 73.31 111.121 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -136.32 141.79 43.82 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.627 1.971 . . . . 52.35 108.78 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -131.84 138.87 48.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.623 1.569 . . . . 44.03 107.838 169.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -160.34 153.35 21.56 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.267 1.027 . . . . 73.04 111.305 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -112.24 122.69 48.44 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.903 -1.147 . . . . 74.33 107.903 172.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.94 131.74 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 123.898 0.749 . . . . 74.41 111.962 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -14.91 64.42 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.357 1.456 . . . . 74.31 112.41 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -118.43 160.37 21.83 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.073 1.436 . . . . 65.44 110.618 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.34 137.9 46.94 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.885 0.741 . . . . 71.35 110.628 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.05 -176.79 5.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 73.13 107.899 167.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -125.57 112.21 15.93 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.357 -0.979 . . . . 74.34 108.357 -170.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.29 128.46 35.48 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 124.547 1.155 . . . . 65.33 110.412 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.7 148.41 40.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.625 1.97 . . . . 64.43 110.021 164.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.1 p -117.89 175.24 5.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.469 1.108 . . . . 65.2 110.655 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.0 mmt -61.55 -31.98 72.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.161 1.784 . . . . 72.21 113.737 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.7 p -83.53 -7.0 59.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.487 1.515 . . . . 54.03 112.835 171.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.68 65.06 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.443 1.497 . . . . 72.11 112.757 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.21 126.21 26.57 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.104 1.452 . . . . 51.14 111.397 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -96.3 142.76 28.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.413 1.071 . . . . 73.24 110.721 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.05 139.65 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.74 1.216 . . . . 52.22 110.552 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.4 141.78 45.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.866 1.267 . . . . 64.23 112.259 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -173.62 164.38 4.44 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.291 1.436 . . . . 74.41 110.701 -173.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.01 143.31 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.129 1.372 . . . . 71.31 108.788 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.88 146.41 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.476 -0.935 . . . . 75.24 108.476 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -129.01 142.46 50.91 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.587 1.155 . . . . 72.33 109.742 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.4 tp -111.76 130.25 55.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.88 1.272 . . . . 74.15 109.549 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.4 168.17 11.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.167 1.787 . . . . 65.14 110.737 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.9 15.71 19.46 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.992 1.282 . . . . 74.23 113.96 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -135.75 39.71 2.79 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.033 1.416 . . . . 70.11 109.496 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.54 21.27 11.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.07 1.748 . . . . 53.43 113.788 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -115.45 129.82 56.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.227 1.011 . . . . 75.42 111.13 -168.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.4 mt -98.58 152.49 19.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.36 1.064 . . . . 64.04 109.567 167.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.55 139.45 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.848 1.259 . . . . 62.55 109.083 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -157.22 -173.2 4.32 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.784 1.634 . . . . 74.54 110.349 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 p -150.63 143.25 24.48 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.687 1.995 . . . . 73.45 108.406 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -160.03 124.82 3.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.994 0.918 . . . . 64.14 109.832 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? 54.76 40.3 31.85 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.994 1.717 . . . . 73.3 113.646 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t30 72.99 -2.41 2.73 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.202 2.201 . . . . 72.01 114.169 -173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.7 mt -83.37 97.41 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.399 1.079 . . . . 73.41 108.488 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -65.28 112.6 3.54 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.702 1.601 . . . . 61.23 108.976 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 p -120.58 125.72 48.5 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 124.342 1.026 . . . . 34.33 110.123 -166.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -133.78 133.9 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.75 1.62 . . . . 74.23 107.888 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 m -128.23 154.73 45.53 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.857 1.263 . . . . 45.21 109.322 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -146.61 123.64 11.41 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.062 0.945 . . . . 63.03 110.08 174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.0 tp -80.74 140.84 35.33 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.375 1.047 . . . . 52.4 109.176 161.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.19 76.99 1.47 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.269 -1.011 . . . . 62.45 108.269 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.44 -94.22 1.04 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.141 -1.583 . . . . 44.23 109.141 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -116.12 1.63 13.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.845 2.058 . . . . 73.33 112.839 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -102.17 144.99 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.216 1.006 . . . . 74.42 108.299 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.3 mm -121.19 115.87 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 107.924 -1.139 . . . . 74.32 107.924 169.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -93.02 144.49 25.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.962 0.905 . . . . 74.24 108.713 168.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 148.97 52.71 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.962 1.305 . . . . 72.21 108.303 165.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.2 m -141.55 125.38 17.03 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.213 1.405 . . . . 72.14 107.875 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.5 mmt -120.95 113.46 20.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.042 1.337 . . . . 62.25 108.165 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.2 m -110.7 106.29 15.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.29 1.036 . . . . 72.1 109.461 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -110.63 88.88 2.88 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.452 1.501 . . . . 64.34 108.266 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.8 -113.6 5.75 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 124.535 1.147 . . . . 74.52 110.771 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.46 0.78 28.06 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.365 2.266 . . . . 65.24 114.595 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 27.6 mm -109.76 141.51 24.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.593 1.157 . . . . 63.52 109.336 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.66 83.91 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.399 1.08 . . . . 43.32 108.701 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -72.86 142.65 47.96 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.816 1.246 . . . . 72.25 110.293 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -147.0 137.16 23.41 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.047 0.842 . . . . 73.41 108.84 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -129.84 153.93 47.77 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.306 1.442 . . . . 63.42 111.543 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.95 137.26 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.717 1.607 . . . . 61.45 107.327 170.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 m -136.65 154.35 50.66 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.384 1.874 . . . . 34.43 108.824 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -143.64 135.66 26.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.998 0.919 . . . . 71.15 109.312 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.62 131.09 47.86 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.448 1.499 . . . . 73.33 113.542 -173.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 8' ' ' GLN . 17.8 pt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 124.97 2.319 . . . . 70.3 107.066 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 109.643 -0.503 . . . . 73.21 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -63.71 -21.04 66.19 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.272 1.582 . . . . 74.3 115.272 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.5 p -59.85 133.3 55.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.595 1.558 . . . . 73.43 114.004 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.24 -175.15 31.8 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 109.841 -1.304 . . . . 62.3 109.841 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.6 139.34 53.96 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.452 1.501 . . . . 72.05 109.057 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -143.88 123.64 13.4 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.264 1.426 . . . . 73.55 110.054 -167.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.45 139.97 34.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.7 0.682 . . . . 63.23 109.347 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.11 124.83 21.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.346 1.858 . . . . 73.22 110.81 168.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -95.7 -44.58 7.39 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.289 1.436 . . . . 70.53 111.047 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -160.87 162.84 32.28 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.853 1.261 . . . . 65.41 110.952 -171.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -154.17 152.75 30.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.748 1.219 . . . . 74.31 110.567 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -136.28 143.39 44.19 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.349 1.46 . . . . 45.34 110.537 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 58.64 31.33 20.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.456 2.303 . . . . 73.35 112.46 -173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.67 -48.68 80.7 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.948 1.699 . . . . 63.43 112.911 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.83 -32.8 69.96 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 124.462 1.101 . . . . 73.44 113.439 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.72 79.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.032 0.933 . . . . 65.25 112.838 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -78.26 -44.33 25.79 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.531 1.532 . . . . 65.33 113.351 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -25.6 62.34 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.38 1.05 . . . . 65.41 112.344 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -74.25 -39.34 63.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.479 1.112 . . . . 62.15 111.829 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.01 73.36 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.458 1.281 . . . . 42.34 114.458 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.8 pt -79.58 -12.66 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 N-CA-C 113.81 1.041 . . . . 75.12 113.81 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.17 22.75 36.96 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.295 -1.281 . . . . 70.33 113.072 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.64 138.97 85.98 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.343 1.572 . . . . 73.21 108.527 164.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -65.03 145.47 85.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.026 1.817 . . . . 71.41 111.977 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -50.85 -30.01 13.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.417 1.887 . . . . 74.13 114.55 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.8 -50.44 73.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.365 1.866 . . . . 65.14 112.888 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.0 -23.76 63.19 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.647 1.579 . . . . 72.24 112.947 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.9 mt -73.3 -51.41 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 123.925 0.89 . . . . 71.25 110.758 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -66.45 -24.81 66.49 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.318 1.229 . . . . 72.51 114.318 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -79.42 -50.46 10.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 74.44 111.823 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.38 -19.17 75.86 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.264 1.412 . . . . 50.4 114.381 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.79 -33.94 75.81 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.882 1.341 . . . . 75.03 112.982 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -85.8 -39.29 17.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.463 1.505 . . . . 72.31 110.395 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG21 ' H ' ' A' ' 55' ' ' GLY . 25.5 mm -66.15 105.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.508 1.123 . . . . 62.22 110.149 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 113.0 5.89 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.355 1.034 . . . . 74.41 109.136 168.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.03 171.44 48.27 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 124.169 0.918 . . . . 45.33 111.442 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.78 124.82 54.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.164 -1.421 . . . . 70.34 107.164 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -105.3 143.91 32.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.67 1.588 . . . . 54.13 108.614 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.28 133.34 31.11 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.682 -1.229 . . . . 74.12 107.682 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.08 147.76 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.605 1.191 . . . . 75.4 108.234 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.44 149.62 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.358 1.463 . . . . 72.01 107.502 173.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -135.53 98.35 3.92 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.404 1.082 . . . . 74.4 108.613 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -103.39 73.81 1.23 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.271 1.828 . . . . 74.22 108.232 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 -119.35 7.31 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 108.813 -1.715 . . . . 72.11 108.813 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.26 -25.04 46.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.225 1.01 . . . . 73.11 112.606 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.1 140.33 47.08 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.159 0.584 . . . . 54.34 111.267 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.56 141.57 51.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.209 1.804 . . . . 75.23 109.481 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -112.16 144.82 40.91 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.354 -1.35 . . . . 74.12 107.354 164.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -138.9 89.64 2.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.737 1.615 . . . . 74.03 107.614 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 79.1 m -85.27 128.66 34.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.946 0.898 . . . . 73.11 108.726 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.28 115.19 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.152 -1.055 . . . . 71.24 108.152 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -101.04 131.85 46.73 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.22 1.008 . . . . 74.21 108.952 171.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.53 137.88 0.66 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.468 1.507 . . . . 71.34 108.563 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 66.91 37.41 92.17 Favored Glycine 0 CA--C 1.539 1.579 0 O-C-N 124.115 0.885 . . . . 72.42 111.752 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m 75.67 -34.91 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.208 3.003 . . . . 74.02 114.981 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 162.2 24.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.869 1.268 . . . . 75.24 112.608 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -124.7 125.02 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 124.74 1.275 . . . . 55.31 109.385 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 mt -93.39 143.26 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.404 1.882 . . . . 72.32 107.344 168.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -135.4 93.08 2.92 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.801 0.84 . . . . 73.31 109.623 171.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -74.31 137.23 42.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.442 1.097 . . . . 52.35 109.923 168.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.42 126.53 29.73 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.794 1.638 . . . . 44.03 107.23 174.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -159.23 159.08 33.76 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 124.315 1.01 . . . . 73.04 112.017 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 m -120.72 124.3 44.81 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.697 1.199 . . . . 74.33 108.333 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.5 134.46 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 124.119 0.887 . . . . 74.41 111.738 -176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.33 -12.76 61.8 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.182 1.373 . . . . 74.31 112.497 -173.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -111.48 160.14 17.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.566 1.546 . . . . 65.44 109.938 173.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.2 131.69 36.28 Favored 'General case' 0 C--N 1.345 0.388 0 O-C-N 123.867 0.73 . . . . 71.35 109.703 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 m -143.21 175.28 10.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.14 1.776 . . . . 73.13 108.137 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -115.86 109.34 17.49 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.871 0.468 . . . . 74.34 110.363 -169.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.28 129.52 35.01 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.063 1.345 . . . . 65.33 110.744 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -70.99 153.36 42.7 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.089 1.493 . . . . 64.43 110.764 161.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -116.44 173.55 6.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.647 1.179 . . . . 65.2 111.002 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.5 mmm -58.97 -28.94 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.467 1.507 . . . . 72.21 114.075 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -90.31 -2.33 57.99 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.381 1.472 . . . . 54.03 113.433 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.04 19.74 66.61 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 119.163 -0.799 . . . . 72.11 112.469 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.25 164.64 15.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.654 1.581 . . . . 51.14 109.198 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -133.62 138.58 46.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.072 0.949 . . . . 73.24 110.722 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 143.55 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 52.22 110.964 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -79.73 140.29 37.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.979 1.312 . . . . 64.23 112.411 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.7 t -167.27 150.34 6.29 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.112 1.365 . . . . 74.41 111.288 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.16 109.81 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.303 1.041 . . . . 71.31 108.661 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -81.92 146.5 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 123.855 0.722 . . . . 75.24 109.662 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -120.31 159.61 24.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.404 1.482 . . . . 72.33 110.541 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.2 tt -136.53 129.21 30.59 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.119 1.368 . . . . 74.15 108.835 175.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.81 171.52 9.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.042 1.337 . . . . 65.14 111.377 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.24 0.4 87.66 Favored Glycine 0 CA--C 1.543 1.811 0 CA-C-O 118.526 -1.152 . . . . 74.23 113.038 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -114.1 40.0 2.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.096 1.759 . . . . 70.11 111.678 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.324 0.3 OUTLIER 50.62 44.0 27.52 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.112 2.165 . . . . 53.43 114.142 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -132.41 146.12 51.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.679 1.592 . . . . 75.42 110.761 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CD2' HD12 ' A' ' 85' ' ' LEU . 26.1 mt -113.96 152.89 30.21 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.016 1.727 . . . . 64.04 108.639 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.87 139.25 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 124.312 1.045 . . . . 62.55 109.623 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 t -163.84 171.38 15.53 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.972 1.309 . . . . 74.54 110.932 175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.1 m -141.64 140.03 33.17 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.146 1.378 . . . . 73.45 109.948 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.43 125.25 6.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.113 1.365 . . . . 64.14 109.723 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt 56.36 35.78 26.43 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.547 1.539 . . . . 73.3 114.01 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.5 t30 70.53 0.26 3.18 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.962 2.105 . . . . 72.01 114.195 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.79 101.32 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 107.374 -1.343 . . . . 73.41 107.374 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 146.63 54.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.708 1.203 . . . . 61.23 108.707 164.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -137.79 140.97 40.86 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.156 0.982 . . . . 34.33 109.255 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -138.21 118.88 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 125.025 1.453 . . . . 74.23 107.414 171.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.5 m -99.76 147.8 25.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.253 0.971 . . . . 45.21 108.629 168.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -143.71 117.95 9.58 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.537 0.735 . . . . 63.03 110.184 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 tp -81.65 129.08 34.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.752 1.621 . . . . 52.4 109.565 170.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -132.08 73.25 1.52 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.355 1.862 . . . . 62.45 106.931 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.62 -112.15 4.67 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.051 -1.219 . . . . 44.23 110.051 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.1 -2.29 43.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.456 1.502 . . . . 73.33 114.191 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.79 144.98 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 125.062 1.345 . . . . 74.42 109.522 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.07 118.09 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.019 1.327 . . . . 74.32 107.601 167.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -93.83 141.83 28.06 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.801 -0.814 . . . . 74.24 108.801 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -131.93 101.73 5.55 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.888 1.675 . . . . 72.21 107.814 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.8 m -100.64 142.44 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.865 1.266 . . . . 72.14 109.735 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.8 mmt -127.67 154.22 45.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.919 1.287 . . . . 62.25 109.784 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.0 m -137.6 121.63 17.83 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.365 0.666 . . . . 72.1 109.855 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 tt -127.64 102.29 6.77 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 106.781 -1.562 . . . . 64.34 106.781 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.71 13.24 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.403 -1.479 . . . . 74.52 109.403 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -84.42 -19.26 33.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.989 1.316 . . . . 65.24 112.432 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 mm -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 123.838 0.855 . . . . 63.52 110.026 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.5 t -123.03 94.33 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.69 -1.226 . . . . 43.32 107.69 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -83.19 150.35 26.27 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.201 1.4 . . . . 72.25 111.745 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -141.29 149.86 41.8 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 124.059 0.849 . . . . 73.41 109.387 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 -135.4 148.34 49.32 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.464 1.905 . . . . 63.42 108.337 164.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -124.06 135.5 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 106.368 -1.715 . . . . 61.45 106.368 168.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.3 m -128.87 156.04 44.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.952 1.701 . . . . 34.43 108.27 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -143.49 146.73 33.63 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.758 0.823 . . . . 71.15 109.836 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -56.78 138.07 53.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.233 2.213 . . . . 73.33 114.452 -168.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 43.6 pt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 125.463 2.554 . . . . 70.3 107.073 176.377 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 109.52 -0.548 . . . . 73.21 109.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.55 -17.88 64.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.599 1.56 . . . . 74.3 114.312 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.7 p -59.17 131.11 50.05 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.005 1.322 . . . . 73.43 113.087 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.86 -176.03 31.16 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.265 -1.134 . . . . 62.3 110.265 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -132.04 133.9 44.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.345 1.458 . . . . 72.05 108.61 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -137.8 118.63 14.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.541 1.136 . . . . 73.55 110.654 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -76.91 141.3 40.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.363 0.665 . . . . 63.23 110.42 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.76 128.25 36.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.941 1.696 . . . . 73.22 111.772 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -107.33 -48.7 3.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.804 1.242 . . . . 70.53 110.498 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -159.22 164.45 35.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.35 1.06 . . . . 65.41 110.199 -174.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -162.8 140.16 7.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.483 1.513 . . . . 74.31 109.331 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.1 137.78 45.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.901 1.28 . . . . 45.34 108.044 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.11 37.66 28.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.722 2.009 . . . . 73.35 113.759 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.71 -53.42 58.17 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.124 0.97 . . . . 63.43 113.555 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.75 -30.64 71.33 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.526 1.141 . . . . 73.44 113.493 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.11 61.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.783 1.233 . . . . 65.25 112.988 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -74.96 -40.33 60.81 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.929 1.292 . . . . 65.33 113.339 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.519 ' SD ' HD22 ' A' ' 24' ' ' LEU . 6.2 tpp -71.3 -27.14 63.2 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.739 1.216 . . . . 65.41 112.213 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -71.7 -43.41 65.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.015 1.326 . . . . 62.15 111.679 167.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.31 78.04 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.569 1.322 . . . . 42.34 114.569 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 HD11 ' SD ' ' A' ' 19' ' ' MET . 40.0 pt -79.53 -14.02 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 113.239 0.829 . . . . 75.12 113.239 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.49 17.8 30.13 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-O 117.759 -1.578 . . . . 70.33 113.747 169.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD22 ' SD ' ' A' ' 19' ' ' MET . 3.1 mp -67.37 140.77 95.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 120.098 1.949 . . . . 73.21 110.153 169.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -64.17 142.12 78.89 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.47 2.113 . . . . 71.41 111.602 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.51 -23.86 64.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.188 1.181 . . . . 74.13 114.188 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.84 -38.1 86.93 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.347 0.869 . . . . 65.14 113.347 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.63 -23.72 58.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.726 1.21 . . . . 72.24 112.761 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.74 -49.7 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.039 0.936 . . . . 71.25 111.06 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -69.17 -23.44 63.94 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.659 1.184 . . . . 72.51 114.109 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -91.38 -31.34 16.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.261 1.024 . . . . 74.44 111.81 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.2 -23.77 62.68 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.681 -1.066 . . . . 50.4 112.875 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -72.1 -32.4 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.707 1.253 . . . . 75.03 112.374 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.57 -48.24 17.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.665 1.586 . . . . 72.31 110.956 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.5 mm -65.03 118.58 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.845 1.258 . . . . 62.22 110.967 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -66.13 104.94 1.25 Allowed 'General case' 0 C--N 1.344 0.369 0 O-C-N 124.817 1.323 . . . . 74.41 110.041 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.43 160.6 54.09 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 124.717 1.261 . . . . 45.33 111.005 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.23 126.89 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 107.656 -1.239 . . . . 70.34 107.656 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m -101.4 158.75 15.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.453 1.501 . . . . 54.13 109.278 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.59 136.89 18.66 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.405 1.482 . . . . 74.12 107.178 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -129.25 143.75 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.855 -1.535 . . . . 75.4 106.855 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -128.43 135.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 106.53 -1.655 . . . . 72.01 106.53 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -122.72 122.2 38.18 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.157 -1.053 . . . . 74.4 108.157 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -127.16 73.5 1.43 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.159 1.783 . . . . 74.22 107.368 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 -119.41 7.93 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.416 -1.473 . . . . 72.11 109.416 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -72.42 -30.34 64.54 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.505 1.122 . . . . 73.11 112.63 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -75.59 144.0 42.04 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.968 0.792 . . . . 54.34 111.773 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -132.12 148.75 52.5 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 126.739 2.016 . . . . 75.23 109.676 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -126.51 140.73 52.23 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.097 -1.446 . . . . 74.12 107.097 164.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.01 121.61 32.14 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.278 1.431 . . . . 74.03 108.17 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.2 m -124.8 127.76 47.68 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.192 1.397 . . . . 73.11 107.982 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.15 125.65 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.245 -1.021 . . . . 71.24 108.245 -174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -120.95 127.0 51.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.753 1.221 . . . . 74.21 108.688 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.35 1.66 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.443 1.097 . . . . 71.34 108.511 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 22.92 67.92 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 118.788 -1.007 . . . . 72.42 112.078 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t 77.01 -26.77 0.18 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.726 2.81 . . . . 74.02 114.531 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.78 143.09 51.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.372 1.069 . . . . 75.24 110.732 170.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.5 t -121.92 134.72 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 124.776 1.298 . . . . 55.31 108.981 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.06 134.3 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 106.612 -1.625 . . . . 72.32 106.612 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.58 136.76 50.19 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 124.172 0.92 . . . . 73.31 110.554 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -128.37 149.61 50.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.77 2.028 . . . . 52.35 108.659 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -134.41 143.27 47.49 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.752 1.221 . . . . 44.03 109.113 167.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 40.6 p90 -158.04 161.54 38.06 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 124.567 1.167 . . . . 73.04 111.407 171.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -123.66 127.14 47.79 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.125 -1.435 . . . . 74.33 107.125 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.69 139.53 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 123.974 0.796 . . . . 74.41 112.377 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.3 -2.07 87.68 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.637 1.589 . . . . 74.31 112.381 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -131.8 156.72 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.576 1.55 . . . . 65.44 110.527 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.97 128.48 35.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.551 1.14 . . . . 71.35 110.697 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.6 m -142.76 159.89 41.38 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.495 1.518 . . . . 73.13 109.602 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.18 114.74 27.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.479 0.711 . . . . 74.34 110.8 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 81' ' ' THR . 11.1 mp -101.51 134.76 44.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.491 1.516 . . . . 65.33 109.648 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.66 169.69 15.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.427 . . . . 64.43 110.934 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -133.74 172.7 12.41 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.026 1.33 . . . . 65.2 110.971 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 66.2 mmm -63.22 -28.41 70.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.39 1.476 . . . . 72.21 113.636 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -82.66 -24.52 33.7 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.393 1.477 . . . . 54.03 112.815 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.15 1.64 41.61 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-O 117.934 -1.481 . . . . 72.11 112.88 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.2 152.38 45.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.786 1.793 . . . . 51.14 110.966 167.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -122.74 138.71 54.54 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.736 1.272 . . . . 73.24 109.092 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.21 143.41 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.48 1.112 . . . . 52.22 110.457 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -73.45 136.13 44.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.616 1.166 . . . . 64.23 111.071 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 HD13 ' A' ' 71' ' ' LEU . 5.2 t -163.5 141.63 7.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 124.453 1.096 . . . . 74.41 110.743 -174.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -87.38 140.98 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.307 1.043 . . . . 71.31 109.655 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 32.8 t -117.45 141.49 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 124.448 1.093 . . . . 75.24 108.737 172.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -114.77 165.25 13.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.987 1.715 . . . . 72.33 109.409 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -136.79 115.2 11.82 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.99 -1.115 . . . . 74.15 107.99 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.95 145.54 32.56 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.683 1.239 . . . . 65.14 109.461 168.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.32 -13.12 48.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.509 1.528 . . . . 74.23 114.106 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.47 24.56 0.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.1 2.16 . . . . 70.11 113.019 171.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.283 0.6 OUTLIER 52.87 43.63 31.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 129.503 3.121 . . . . 53.43 113.882 -175.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -124.84 107.5 10.97 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.755 1.222 . . . . 75.42 109.642 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.32 140.66 55.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.075 0.95 . . . . 64.04 109.312 161.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -141.1 131.25 26.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 124.175 0.922 . . . . 62.55 109.357 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -157.2 169.42 24.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.968 1.307 . . . . 74.54 111.013 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.6 p -146.6 119.59 8.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.087 1.355 . . . . 73.45 109.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -134.41 124.99 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.699 1.2 . . . . 64.14 108.754 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt 55.44 38.06 29.75 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.221 1.809 . . . . 73.3 114.23 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 t30 71.8 -7.16 1.3 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.54 1.936 . . . . 72.01 114.027 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.3 mt -77.75 109.15 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.713 -1.217 . . . . 73.41 107.713 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.41 34.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.71 1.604 . . . . 61.23 109.316 168.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -144.11 128.93 18.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.57 -0.9 . . . . 34.33 108.57 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.84 135.3 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.573 -1.64 . . . . 74.23 106.573 168.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 m -125.56 131.85 52.67 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 124.386 1.054 . . . . 45.21 108.596 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.8 129.2 34.18 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 124.198 0.936 . . . . 63.03 111.458 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.33 94.08 6.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.495 1.918 . . . . 52.4 110.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.77 74.33 7.48 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.238 1.015 . . . . 62.45 109.056 172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.1 -92.25 0.74 Allowed Glycine 0 C--N 1.346 1.12 0 N-CA-C 109.7 -1.36 . . . . 44.23 109.7 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.08 -1.44 13.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.64 1.976 . . . . 73.33 112.49 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.7 mm -109.17 128.88 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 124.302 1.041 . . . . 74.42 108.403 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.4 mm -103.96 116.63 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.467 1.107 . . . . 74.32 109.168 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.4 m -94.51 134.25 37.24 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 124.503 1.127 . . . . 74.24 107.966 164.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -114.78 137.52 51.84 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.507 -1.664 . . . . 72.21 106.507 161.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.8 m -133.46 114.97 14.22 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.003 -1.48 . . . . 72.14 107.003 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.6 mmm -125.04 125.03 43.2 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.804 1.315 . . . . 62.25 108.859 -172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.8 m -126.55 118.58 25.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.297 0.499 . . . . 72.1 110.73 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.7 tp -120.15 94.7 4.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.35 1.46 . . . . 64.34 107.774 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.95 -126.29 28.9 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 110.057 -1.217 . . . . 74.52 110.057 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.04 -19.3 61.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.474 1.51 . . . . 65.24 113.037 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.2 mm -83.77 123.33 38.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.633 0.773 . . . . 63.52 109.847 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.23 94.76 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.617 -1.253 . . . . 43.32 107.617 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -80.83 145.91 31.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.697 1.199 . . . . 72.25 110.572 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -136.49 156.19 48.93 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.285 -1.006 . . . . 73.41 108.285 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -144.02 130.24 19.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.715 2.006 . . . . 63.42 106.362 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -126.91 119.61 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.264 -1.754 . . . . 61.45 106.264 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 m -130.09 153.48 48.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.948 1.299 . . . . 34.43 109.008 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -136.38 138.01 41.14 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.71 1.204 . . . . 71.15 109.922 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -64.19 127.95 33.66 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.051 1.34 . . . . 73.33 113.396 -170.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 103.766 -2.679 . . . . 70.3 103.766 178.61 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.279 -1.008 . . . . 73.21 108.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.06 -26.38 67.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.577 1.151 . . . . 74.3 113.99 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -54.72 129.3 36.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.722 2.009 . . . . 73.43 114.249 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.74 -175.08 32.2 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.104 -1.198 . . . . 62.3 110.104 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -114.01 141.99 46.73 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.226 1.81 . . . . 72.05 108.939 171.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -144.09 113.02 6.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 124.568 1.167 . . . . 73.55 109.203 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.98 137.75 39.21 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 123.093 0.557 . . . . 63.23 110.062 172.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.24 126.94 29.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.083 1.753 . . . . 73.22 111.678 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -101.94 -44.73 5.41 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.216 1.806 . . . . 70.53 110.579 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -154.13 164.24 38.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.236 1.414 . . . . 65.41 110.213 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.66 155.81 32.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.957 1.303 . . . . 74.31 110.201 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -143.5 142.18 31.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.793 1.237 . . . . 45.34 108.077 -166.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 56.64 29.76 16.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.768 1.627 . . . . 73.35 112.911 -171.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.61 -57.1 14.45 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.291 1.037 . . . . 63.43 113.31 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.73 -39.74 95.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.807 1.243 . . . . 73.44 112.735 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.99 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.255 1.422 . . . . 65.25 113.188 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -79.11 -41.18 29.24 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.268 1.027 . . . . 65.33 112.767 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -27.49 67.77 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.537 1.148 . . . . 65.41 112.398 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.81 -46.53 57.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.436 1.494 . . . . 62.15 111.616 168.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.54 74.18 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.038 1.495 . . . . 42.34 115.038 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 pt -76.22 -17.13 15.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.628 0.973 . . . . 75.12 113.628 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.2 19.34 30.87 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-O 118.267 -1.296 . . . . 70.33 113.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.54 139.29 83.73 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 119.466 1.633 . . . . 73.21 109.167 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.72 145.11 74.38 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.284 1.989 . . . . 71.41 111.814 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.2 -27.9 37.23 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.697 1.369 . . . . 74.13 114.697 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.78 -46.69 84.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.38 1.472 . . . . 65.14 112.363 172.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.39 -25.0 60.38 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.11 1.364 . . . . 72.24 113.218 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.2 mt -69.71 -52.28 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 71.25 110.206 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -70.49 -31.06 68.02 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.315 1.228 . . . . 72.51 114.315 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.78 -10.81 54.91 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.081 -0.961 . . . . 74.44 112.857 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.18 -19.9 9.11 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.082 -1.399 . . . . 50.4 112.88 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -64.62 -38.2 90.2 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.467 1.633 . . . . 75.03 113.381 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.13 -19.02 44.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 72.31 112.86 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -86.33 96.06 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.162 0.985 . . . . 62.22 109.631 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -70.29 124.18 23.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.043 0.937 . . . . 74.41 109.972 167.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 -171.75 28.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.722 1.264 . . . . 45.33 111.217 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -129.58 148.8 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.688 1.595 . . . . 70.34 108.397 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 m -128.35 119.91 25.98 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.086 0.867 . . . . 54.13 109.891 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -78.1 148.07 34.37 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.256 0.973 . . . . 74.12 108.632 160.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -134.2 148.82 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 106.481 -1.674 . . . . 75.4 106.481 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.06 148.11 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 125.243 1.417 . . . . 72.01 107.624 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -136.92 103.62 5.22 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.626 -1.25 . . . . 74.4 107.626 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -110.67 70.81 0.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.364 1.866 . . . . 74.22 108.064 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.39 -119.35 7.76 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 109.031 -1.628 . . . . 72.11 109.031 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.24 -31.49 62.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.059 -0.972 . . . . 73.11 112.612 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -70.36 141.94 52.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.749 0.656 . . . . 54.34 111.245 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -129.18 148.53 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.622 1.969 . . . . 75.23 108.799 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.13 146.87 50.23 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.715 -1.217 . . . . 74.12 107.715 165.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.94 142.91 50.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.033 1.333 . . . . 74.03 107.545 162.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.8 m -126.16 125.76 43.0 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.338 -2.097 . . . . 73.11 105.338 162.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.47 105.63 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.349 -1.723 . . . . 71.24 106.349 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -116.96 117.83 30.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.27 1.028 . . . . 74.21 109.967 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.18 146.28 8.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.919 1.288 . . . . 71.34 109.084 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.05 25.15 75.98 Favored Glycine 0 CA--C 1.54 1.644 0 CA-C-O 118.871 -0.961 . . . . 72.42 113.378 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.4 t 66.58 37.62 4.41 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.891 2.076 . . . . 74.02 113.282 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 151.76 35.64 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.025 1.33 . . . . 75.24 109.142 172.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -121.17 117.97 54.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.795 1.309 . . . . 55.31 108.408 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.45 144.22 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 107.39 -1.337 . . . . 72.32 107.39 166.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.66 140.5 49.36 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.624 0.578 . . . . 73.31 110.922 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -118.05 139.8 50.69 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 124.434 1.084 . . . . 52.35 108.219 169.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -132.19 117.94 18.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 106.673 -1.603 . . . . 44.03 106.673 174.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.446 ' CE2' HG11 ' A' ' 83' ' ' VAL . 53.6 p90 -149.44 166.06 30.25 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 124.667 1.229 . . . . 73.04 111.181 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -129.48 123.79 32.4 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.686 -1.227 . . . . 74.33 107.686 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.97 122.76 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 124.118 0.886 . . . . 74.41 111.596 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.07 59.62 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.328 1.442 . . . . 74.31 112.638 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -122.1 154.69 37.03 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.568 1.684 . . . . 65.44 110.479 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -78.67 129.71 35.03 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.087 0.867 . . . . 71.35 109.63 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.5 m -130.62 -164.22 1.4 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.655 1.582 . . . . 73.13 107.685 173.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -127.18 123.97 37.9 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.769 -0.826 . . . . 74.34 108.769 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.07 125.23 50.77 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.256 1.423 . . . . 65.33 109.93 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -76.47 162.86 27.48 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.232 1.583 . . . . 64.43 110.754 169.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.4 p -137.36 175.59 9.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.148 0.979 . . . . 65.2 110.717 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.8 mmm -51.16 -38.36 51.67 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.23 2.212 . . . . 72.21 114.444 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -78.57 -15.97 57.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.189 1.796 . . . . 54.03 114.043 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.92 7.92 73.52 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 118.687 -1.063 . . . . 72.11 112.545 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.42 148.44 48.35 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 118.953 1.377 . . . . 51.14 110.439 166.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -125.1 137.32 54.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.425 1.09 . . . . 73.24 109.055 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.48 145.87 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 124.227 0.954 . . . . 52.22 111.261 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -69.36 134.22 48.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.05 1.34 . . . . 64.23 112.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 t -169.82 153.61 4.95 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.779 1.3 . . . . 74.41 111.341 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.69 148.31 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.792 1.637 . . . . 71.31 110.067 170.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' CE2' ' A' ' 63' ' ' PHE . 32.5 t -119.05 145.5 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.156 -1.054 . . . . 75.24 108.156 168.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -122.0 162.98 20.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.649 1.58 . . . . 72.33 110.039 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.77 129.14 21.21 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.427 1.091 . . . . 74.15 109.775 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -92.09 171.61 8.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.799 1.64 . . . . 65.14 110.896 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.93 4.49 65.72 Favored Glycine 0 CA--C 1.542 1.772 0 CA-C-O 118.745 -1.031 . . . . 74.23 112.963 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.47 36.02 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.568 1.947 . . . . 70.11 112.109 -172.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.83 33.82 22.29 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.463 1.905 . . . . 53.43 114.117 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -128.21 115.54 18.51 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.291 . . . . 75.42 111.297 -168.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 mt -83.33 148.69 27.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.691 1.596 . . . . 64.04 109.428 163.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.6 t -145.48 140.67 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.137 0.975 . . . . 62.55 109.958 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -154.79 166.07 34.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.955 1.702 . . . . 74.54 110.108 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -139.98 127.51 21.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.863 0.865 . . . . 73.45 110.405 173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -142.13 125.11 16.17 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.595 1.558 . . . . 64.14 109.925 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 60.07 32.38 20.98 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.498 1.519 . . . . 73.3 113.4 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.5 t30 71.91 -2.2 2.59 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.38 2.272 . . . . 72.01 114.253 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.472 HG12 HD12 ' A' ' 115' ' ' LEU . 16.7 mt -84.27 96.97 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.367 -1.346 . . . . 73.41 107.367 171.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.79 139.3 57.78 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.208 -1.034 . . . . 61.23 108.208 163.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 t -135.44 143.1 45.73 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.242 1.017 . . . . 34.33 109.176 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.39 133.35 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.835 1.654 . . . . 74.23 107.002 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -117.45 122.8 44.75 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 108.268 -1.012 . . . . 45.21 108.268 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -122.54 104.54 9.43 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.023 1.329 . . . . 63.03 109.796 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.15 146.76 45.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.958 1.703 . . . . 52.4 111.058 173.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.48 68.89 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.53 1.932 . . . . 62.45 107.538 -177.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.86 -104.44 1.32 Allowed Glycine 0 CA--C 1.533 1.21 0 N-CA-C 109.776 -1.329 . . . . 44.23 109.776 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.95 -1.18 57.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.893 1.677 . . . . 73.33 113.243 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -112.1 145.93 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.199 1.0 . . . . 74.42 109.246 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.9 mm -126.13 119.73 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.974 1.31 . . . . 74.32 107.579 168.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -91.66 137.12 32.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.739 -1.208 . . . . 74.24 107.739 162.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.26 126.38 50.45 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 106.271 -1.751 . . . . 72.21 106.271 165.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.7 m -122.71 142.28 50.87 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.142 -1.058 . . . . 72.14 108.142 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.7 mtt -131.85 153.5 50.12 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.919 0.888 . . . . 62.25 110.013 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.3 m -138.5 115.2 10.66 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.407 1.083 . . . . 72.1 109.333 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 98' ' ' ILE . 2.0 tt -121.19 103.63 9.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.699 -1.963 . . . . 64.34 105.699 171.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.8 -122.81 23.09 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 109.56 -1.416 . . . . 74.52 109.56 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.42 -21.94 30.57 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.966 1.307 . . . . 65.24 112.513 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.403 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.9 mp -75.31 114.82 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.463 0.705 . . . . 63.52 109.974 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 67.5 t -108.81 85.41 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 124.615 1.197 . . . . 43.32 108.569 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -66.37 147.65 52.99 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.951 1.3 . . . . 72.25 112.331 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -144.39 155.74 43.91 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.078 0.861 . . . . 73.41 109.935 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -144.64 148.34 34.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.546 2.338 . . . . 63.42 108.165 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.87 128.99 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 105.195 -2.15 . . . . 61.45 105.195 166.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -128.18 153.8 46.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.025 1.73 . . . . 34.43 108.171 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -142.03 143.67 33.25 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.678 0.791 . . . . 71.15 110.273 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.16 132.93 51.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.938 2.095 . . . . 73.33 114.393 -167.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 47.3 pt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 125.505 2.574 . . . . 70.3 107.056 173.736 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 109.841 -0.429 . . . . 73.21 109.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.489 ' HA ' HD13 ' A' ' 104' ' ' LEU . 77.6 m-85 -61.19 -20.94 63.34 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.066 1.746 . . . . 74.3 114.593 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 m -55.02 123.54 13.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.648 1.979 . . . . 73.43 113.383 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.09 179.4 31.11 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 110.327 -1.109 . . . . 62.3 110.327 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -118.81 135.95 54.26 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.802 1.641 . . . . 72.05 108.658 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -138.92 116.55 11.39 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.191 1.397 . . . . 73.55 109.707 -168.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HB2' HD13 ' A' ' 127' ' ' ILE . 11.7 tt0 -76.44 141.91 41.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.828 -0.434 . . . . 63.23 109.828 171.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.12 128.62 34.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.204 1.801 . . . . 73.22 111.921 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.5 -58.51 1.91 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 124.861 1.351 . . . . 70.53 109.369 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -161.44 169.58 21.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.539 1.135 . . . . 65.41 110.191 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 pm0 -158.16 149.37 21.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.191 1.397 . . . . 74.31 109.865 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.78 142.29 46.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.96 1.304 . . . . 45.34 109.787 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 57.97 39.32 26.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.452 2.301 . . . . 73.35 113.161 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.7 -53.16 61.22 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.939 1.296 . . . . 63.43 112.738 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.64 -38.75 92.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.918 1.687 . . . . 73.44 112.408 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.97 88.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.995 1.318 . . . . 65.25 112.9 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.41 -42.79 61.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.71 1.204 . . . . 65.33 112.132 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.01 62.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.578 1.151 . . . . 65.41 112.916 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -73.62 -46.04 49.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.586 1.155 . . . . 62.15 111.309 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.67 80.18 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 125.197 1.399 . . . . 42.34 114.379 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 24' ' ' LEU . 50.5 pt -75.24 -16.27 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 N-CA-C 114.024 1.12 . . . . 75.12 114.024 175.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.64 22.26 37.4 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-O 118.503 -1.165 . . . . 70.33 113.12 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 22' ' ' ILE . 2.9 mp -68.54 141.71 93.42 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.141 1.47 . . . . 73.21 109.036 166.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.52 139.06 74.11 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.17 1.914 . . . . 71.41 111.459 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -52.77 -28.1 20.88 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.261 1.424 . . . . 74.13 114.153 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.27 -49.19 78.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.798 1.639 . . . . 65.14 112.27 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.61 -22.28 65.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.998 1.319 . . . . 72.24 113.815 172.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -73.88 -55.11 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 118.822 0.737 . . . . 71.25 110.175 174.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -71.94 -25.46 61.9 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.797 1.036 . . . . 72.51 113.797 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -81.6 -35.07 30.54 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.003 0.921 . . . . 74.44 111.466 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.75 -21.11 64.38 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 118.429 -1.206 . . . . 50.4 113.874 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -68.88 -36.22 77.82 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.014 1.407 . . . . 75.03 112.382 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 -25.6 35.89 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.133 1.373 . . . . 72.31 113.906 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.13 100.49 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.48 0.582 . . . . 62.22 109.508 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 99.89 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.501 1.92 . . . . 74.41 111.188 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 172.65 50.71 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 114.852 -1.067 . . . . 45.33 112.115 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.2 t -137.56 143.93 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.208 1.403 . . . . 70.34 107.655 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -115.91 147.52 41.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.327 1.451 . . . . 54.13 108.708 169.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -140.46 112.43 7.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.659 -1.238 . . . . 74.12 107.659 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -111.24 146.88 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.029 -1.1 . . . . 75.4 108.029 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.3 104.26 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.917 0.887 . . . . 72.01 108.788 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.33 132.95 34.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.539 1.136 . . . . 74.4 109.861 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -135.8 68.88 1.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.116 1.766 . . . . 74.22 107.748 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.73 -106.18 1.74 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.365 -1.494 . . . . 72.11 109.365 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -37.75 51.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.323 1.049 . . . . 73.11 112.625 174.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -74.74 148.15 40.72 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 123.649 0.593 . . . . 54.34 111.812 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.03 115.56 9.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.958 2.103 . . . . 75.23 108.804 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -94.1 136.91 33.88 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.802 1.314 . . . . 74.12 107.503 163.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.81 139.81 53.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.528 1.531 . . . . 74.03 107.658 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 m -133.3 142.3 48.41 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.146 -1.427 . . . . 73.11 107.146 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -140.97 141.7 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.785 -1.561 . . . . 71.24 106.785 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -137.42 126.47 24.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.023 -1.102 . . . . 74.21 108.023 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.3 154.02 10.11 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 71.34 109.892 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.42 -84.18 0.97 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.088 -1.205 . . . . 72.42 110.088 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 84.9 p -163.91 24.74 0.08 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.02 1.728 . . . . 74.02 111.362 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 152.91 40.56 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.385 1.074 . . . . 75.24 110.902 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.37 131.94 62.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 125.048 1.468 . . . . 55.31 109.0 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mt -104.23 141.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 128.025 2.53 . . . . 72.32 108.349 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -139.8 131.03 26.59 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.359 1.037 . . . . 73.31 109.32 166.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -123.34 138.44 54.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.158 1.783 . . . . 52.35 107.291 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -135.0 125.84 27.38 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.359 1.064 . . . . 44.03 108.282 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 83' ' ' VAL . 54.8 p90 -152.57 157.78 41.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.684 1.24 . . . . 73.04 111.231 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -122.04 126.34 48.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.21 126.75 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.915 0.759 . . . . 74.41 111.978 -169.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 3.87 68.95 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.18 1.372 . . . . 74.31 112.644 -171.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -129.03 146.45 51.0 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.273 1.536 . . . . 65.44 110.128 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.88 118.88 18.33 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.014 0.926 . . . . 71.35 110.681 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.28 152.13 44.25 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.336 1.455 . . . . 73.13 109.183 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -90.61 110.43 21.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.484 0.49 . . . . 74.34 111.339 -172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.71 140.34 29.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.469 1.508 . . . . 65.33 110.387 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 158.26 20.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.215 1.806 . . . . 64.43 111.203 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -129.36 162.6 27.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.601 1.56 . . . . 65.2 109.945 172.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.8 mmt -53.22 -29.47 32.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.107 1.763 . . . . 72.21 115.692 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.1 p -78.25 -8.88 58.88 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.276 1.431 . . . . 54.03 114.065 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.72 81.39 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.476 -1.18 . . . . 72.11 112.375 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.8 146.67 52.68 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.012 1.406 . . . . 51.14 110.35 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -128.21 137.25 51.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 124.331 1.019 . . . . 73.24 109.763 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -143.56 140.88 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.49 1.116 . . . . 52.22 111.55 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -70.1 137.69 51.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.904 1.681 . . . . 64.23 111.179 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -167.59 147.41 5.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.362 1.065 . . . . 74.41 110.582 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.7 t -91.88 114.55 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.532 -0.914 . . . . 71.31 108.532 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 63' ' ' PHE . 41.6 t -85.64 147.19 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.497 -0.927 . . . . 75.24 108.497 168.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -121.03 156.5 32.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.427 1.091 . . . . 72.33 110.129 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.0 126.78 52.52 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 124.982 1.426 . . . . 74.15 108.27 169.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.79 165.51 13.23 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.892 1.677 . . . . 65.14 110.073 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.31 -1.74 81.98 Favored Glycine 0 CA--C 1.539 1.574 0 CA-C-O 118.32 -1.267 . . . . 74.23 114.675 -172.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.42 51.85 1.06 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.389 1.476 . . . . 70.11 111.271 -172.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.17 41.06 19.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.617 2.367 . . . . 53.43 114.297 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -133.88 143.97 48.61 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.405 1.482 . . . . 75.42 111.119 -171.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.0 mt -116.11 149.67 38.61 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.648 1.979 . . . . 64.04 108.422 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.9 t -142.08 139.71 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.152 0.981 . . . . 62.55 109.44 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.6 t -155.0 170.26 22.17 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.371 1.468 . . . . 74.54 110.171 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -140.27 129.02 23.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.07 0.948 . . . . 73.45 109.141 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.15 131.88 27.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.981 1.313 . . . . 64.14 108.067 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.53 47.9 22.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.75 1.62 . . . . 73.3 114.903 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 73.75 -3.57 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.387 1.875 . . . . 72.01 113.858 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 115' ' ' LEU . 3.3 mt -98.79 104.77 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.457 1.503 . . . . 73.41 108.473 -175.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.77 127.78 33.57 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.803 0.689 . . . . 61.23 109.412 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 t -117.25 140.69 49.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 34.33 109.602 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.5 135.47 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 106.992 -1.485 . . . . 74.23 106.992 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 m -127.02 145.47 50.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.137 0.975 . . . . 45.21 108.774 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -146.57 141.14 26.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.499 0.72 . . . . 63.03 111.168 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 3' ' ' PHE . 8.5 tp -111.59 94.11 4.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.664 1.986 . . . . 52.4 108.743 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -95.17 78.05 3.5 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.007 0.923 . . . . 62.45 109.007 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.77 -113.73 5.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 109.433 -1.467 . . . . 44.23 109.433 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.42 0.3 57.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.892 1.677 . . . . 73.33 113.465 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 mm -105.94 136.7 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.619 1.168 . . . . 74.42 108.285 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mm -111.26 128.11 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.296 1.038 . . . . 74.32 108.754 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 m -105.98 141.72 36.9 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.551 1.157 . . . . 74.24 108.488 167.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.25 147.95 47.71 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.243 1.417 . . . . 72.21 107.636 162.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 88.8 m -136.68 135.4 38.18 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.183 1.393 . . . . 72.14 107.414 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.6 mmt -122.07 144.89 48.64 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.179 1.392 . . . . 62.25 108.178 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.8 m -138.29 89.62 2.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.032 0.933 . . . . 72.1 108.582 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 98' ' ' ILE . 12.7 tp -101.78 105.35 16.2 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 125.687 1.595 . . . . 64.34 109.256 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.27 -102.75 0.32 Allowed Glycine 0 CA--C 1.536 1.351 0 O-C-N 124.775 1.297 . . . . 74.52 111.685 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.15 -11.77 27.58 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.122 1.769 . . . . 65.24 112.751 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.7 mm -101.94 136.71 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.06 1.344 . . . . 63.52 110.315 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.1 t -120.41 94.25 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.548 1.139 . . . . 43.32 108.134 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -84.44 146.9 27.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.051 1.341 . . . . 72.25 111.125 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -145.62 150.36 36.2 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.398 -0.964 . . . . 73.41 108.398 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.03 139.8 26.35 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.018 1.727 . . . . 63.42 108.675 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.6 129.29 55.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 107.363 -1.347 . . . . 61.45 107.363 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -133.51 155.37 49.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.669 1.588 . . . . 34.43 108.362 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -139.68 143.07 36.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.598 0.759 . . . . 71.15 110.285 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.3 129.8 43.45 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.974 1.71 . . . . 73.33 114.055 -169.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 8' ' ' GLN . 30.2 pt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 125.378 2.513 . . . . 70.3 107.558 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 110.445 -0.206 . . . . 73.21 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' A' ' 41' ' ' ILE . 47.9 m-85 -65.4 -18.45 65.33 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.186 1.18 . . . . 74.3 114.186 175.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -57.01 138.0 54.94 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.859 . . . . 73.43 114.377 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.04 23.02 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 124.281 0.988 . . . . 62.3 110.913 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -109.15 141.12 41.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.627 1.971 . . . . 72.05 108.966 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -142.56 106.1 4.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.012 1.325 . . . . 73.55 110.062 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -70.6 141.16 51.78 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.743 0.817 . . . . 63.23 111.16 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LYS . 64.3 tp -57.27 124.66 19.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.726 1.61 . . . . 73.22 111.308 167.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -98.79 -49.13 4.68 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.516 1.135 . . . . 70.53 110.608 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.7 167.52 20.95 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 124.369 1.068 . . . . 65.41 111.07 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -157.99 150.03 22.0 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.512 1.125 . . . . 74.31 110.769 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -129.51 141.56 50.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.747 1.619 . . . . 45.34 109.551 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 58.7 29.3 18.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.153 2.181 . . . . 73.35 112.84 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.21 -52.72 64.39 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.56 1.544 . . . . 63.43 111.871 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.99 -35.25 80.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.718 1.261 . . . . 73.44 113.632 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.84 76.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.726 1.211 . . . . 65.25 112.791 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -76.63 -40.14 50.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.357 1.463 . . . . 65.33 113.333 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -26.84 62.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.5 1.12 . . . . 65.41 112.244 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -72.03 -40.26 68.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.477 1.111 . . . . 62.15 111.581 166.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.58 -22.31 65.38 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.882 1.438 . . . . 42.34 114.882 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 24' ' ' LEU . 44.7 pt -92.44 -11.48 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.059 0.944 . . . . 75.12 113.064 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.84 22.43 39.17 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.137 -1.368 . . . . 70.33 113.961 170.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.0 mp -67.0 145.72 98.96 Favored Pre-proline 0 CA--C 1.551 0.986 0 CA-C-N 119.625 1.712 . . . . 73.21 110.502 170.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.22 138.14 65.04 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.842 2.361 . . . . 71.41 112.413 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.77 -26.42 65.68 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.486 1.662 . . . . 74.13 115.486 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -64.84 -43.0 94.47 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 65.14 112.869 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -71.23 -18.64 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.833 1.253 . . . . 72.24 112.941 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.96 -53.85 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.551 0.741 . . . . 71.25 110.368 168.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.61 -26.19 65.23 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.1 1.519 . . . . 72.51 115.1 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -98.18 -26.04 14.69 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 118.157 -0.925 . . . . 74.44 112.098 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -25.72 69.59 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-O 118.94 -0.922 . . . . 50.4 112.412 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -72.06 -29.47 64.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.226 1.013 . . . . 75.03 112.176 171.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.13 -45.15 20.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.602 1.561 . . . . 72.31 111.257 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.461 HG21 ' H ' ' A' ' 55' ' ' GLY . 9.9 mm -66.26 114.46 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.562 1.145 . . . . 62.22 111.227 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HA ' HD23 ' A' ' 9' ' ' LEU . 60.4 mttp -74.65 127.01 32.06 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 124.51 1.132 . . . . 74.41 109.855 168.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.07 -174.97 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 125.102 1.501 . . . . 45.33 110.225 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.67 138.79 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.94 1.296 . . . . 70.34 107.768 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -113.21 134.68 54.46 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.757 1.223 . . . . 54.13 108.274 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.75 144.35 41.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 108.574 -0.898 . . . . 74.12 108.574 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.425 HG21 ' HB3' ' A' ' 3' ' ' PHE . 24.3 mt -126.83 143.69 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.843 -1.539 . . . . 75.4 106.843 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -140.92 94.53 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.319 -0.993 . . . . 72.01 108.319 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.06 122.96 25.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.353 1.061 . . . . 74.4 109.906 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -129.86 67.08 1.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.247 1.819 . . . . 74.22 107.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.59 -121.73 6.92 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 108.685 -1.766 . . . . 72.11 108.685 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -31.38 68.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.031 0.932 . . . . 73.11 112.593 171.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -71.58 150.17 44.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.052 0.941 . . . . 54.34 112.167 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.08 141.75 36.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.848 2.059 . . . . 75.23 109.157 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -106.41 148.88 27.59 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 124.631 1.207 . . . . 74.12 109.754 153.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -135.57 93.12 2.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.67 1.988 . . . . 74.03 107.967 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 m -84.66 141.65 30.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.099 0.96 . . . . 73.11 109.292 170.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -140.24 115.2 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.386 -1.339 . . . . 71.24 107.386 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -111.84 121.54 45.33 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.384 1.074 . . . . 74.21 108.989 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 136.49 1.79 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.552 1.141 . . . . 71.34 109.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.461 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 77.16 26.78 61.2 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-O 118.886 -0.952 . . . . 72.42 113.066 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.5 m 63.97 40.74 7.04 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.678 1.991 . . . . 74.02 113.433 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.48 150.74 32.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.689 1.596 . . . . 75.24 108.061 171.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.4 114.68 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.599 1.187 . . . . 55.31 108.625 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.0 141.46 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 107.884 -1.154 . . . . 72.32 107.884 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -129.4 138.54 51.55 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 124.387 1.054 . . . . 73.31 108.533 160.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -131.8 138.25 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 52.35 107.949 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -122.14 139.99 53.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 125.597 1.811 . . . . 44.03 109.193 172.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 38.3 p90 -155.55 163.29 40.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 124.948 1.405 . . . . 73.04 110.614 171.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -133.05 121.99 23.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.247 -1.39 . . . . 74.33 107.247 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -72.15 128.04 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 123.922 0.764 . . . . 74.41 111.824 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.95 1.98 69.64 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.297 -1.28 . . . . 74.31 112.297 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -130.51 153.08 49.2 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 125.633 1.573 . . . . 65.44 110.007 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.18 122.93 29.03 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.715 0.806 . . . . 71.35 110.62 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 99.4 m -138.34 161.36 37.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.089 1.356 . . . . 73.13 110.372 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.1 99.76 9.29 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.294 1.038 . . . . 74.34 110.654 -162.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.27 139.72 30.38 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.849 1.26 . . . . 65.33 111.969 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.86 153.14 25.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.517 1.927 . . . . 64.43 110.349 169.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -115.03 160.66 19.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.612 1.565 . . . . 65.2 109.702 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.64 -22.45 34.41 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 116.359 1.985 . . . . 72.21 116.359 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -78.98 -23.11 44.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.699 1.6 . . . . 54.03 113.685 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.24 6.02 29.87 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.799 1.19 . . . . 72.11 112.986 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 157.77 30.59 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.3 1.55 . . . . 51.14 109.676 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -132.4 144.21 50.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.134 0.974 . . . . 73.24 111.269 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.81 150.28 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.665 1.186 . . . . 52.22 111.473 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.73 146.05 36.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.472 1.509 . . . . 64.23 111.792 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -170.73 142.56 1.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.386 1.474 . . . . 74.41 110.5 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.42 127.74 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.497 0.719 . . . . 71.31 109.231 169.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 21.7 t -102.12 150.63 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 124.74 1.275 . . . . 75.24 108.331 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -130.64 155.62 46.27 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.353 1.061 . . . . 72.33 110.455 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -121.65 133.49 54.97 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 125.105 1.503 . . . . 74.15 108.226 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.05 168.2 9.6 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.961 1.413 . . . . 65.14 110.426 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 1.45 21.23 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.581 1.563 . . . . 74.23 115.893 -170.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -118.37 37.5 4.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.655 1.582 . . . . 70.11 112.163 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.334 0.0 OUTLIER 56.74 38.08 29.25 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.675 1.99 . . . . 53.43 113.99 178.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -127.21 134.58 50.09 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 124.614 1.166 . . . . 75.42 111.096 -171.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.83 149.52 26.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.618 1.567 . . . . 64.04 109.196 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -142.88 135.38 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 62.55 109.361 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -148.3 159.84 43.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.886 1.674 . . . . 74.54 110.358 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.2 m -138.27 110.17 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.39 0.676 . . . . 73.45 110.809 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -133.14 133.45 42.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.214 1.406 . . . . 64.14 109.848 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt 40.67 63.14 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.249 2.22 . . . . 73.3 114.927 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . 0.289 4.3 p30 67.1 -9.07 0.4 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.753 2.421 . . . . 72.01 116.084 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.5 mt -95.41 110.7 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 124.948 1.299 . . . . 73.41 109.29 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -79.94 101.08 8.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.603 1.561 . . . . 61.23 108.016 168.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 t -99.1 140.95 32.5 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.485 1.114 . . . . 34.33 110.874 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -133.42 140.8 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.434 1.894 . . . . 74.23 107.381 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -128.61 150.7 50.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.061 0.944 . . . . 45.21 108.7 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -143.82 118.05 9.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.039 0.936 . . . . 63.03 109.557 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -75.73 135.93 40.34 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.768 1.292 . . . . 52.4 108.582 160.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.36 73.16 1.23 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.092 -1.077 . . . . 62.45 108.092 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.8 -100.93 1.37 Allowed Glycine 0 C--N 1.346 1.104 0 N-CA-C 108.715 -1.754 . . . . 44.23 108.715 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -109.61 -6.14 15.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.317 1.847 . . . . 73.33 112.369 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.49 130.11 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.403 1.081 . . . . 74.42 108.452 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.9 mm -113.25 115.75 50.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.348 -0.982 . . . . 74.32 108.348 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.8 m -96.65 139.27 32.97 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.127 0.892 . . . . 74.24 108.631 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -123.53 137.7 54.71 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 106.979 -1.489 . . . . 72.21 106.979 168.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.0 m -134.53 137.64 44.0 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.47 1.108 . . . . 72.14 108.721 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.5 mtt -137.5 101.78 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.319 1.047 . . . . 62.25 109.906 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 99.8 m -85.46 110.65 19.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.504 1.122 . . . . 72.1 110.03 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tt -111.46 90.84 3.45 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.886 2.074 . . . . 64.34 107.18 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.78 -102.88 0.81 Allowed Glycine 0 CA--C 1.536 1.38 0 N-CA-C 110.213 -1.155 . . . . 74.52 110.213 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.51 -6.08 19.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.455 1.502 . . . . 65.24 112.439 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -92.73 144.01 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.762 1.225 . . . . 63.52 108.721 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.7 t -131.19 93.56 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.905 -0.776 . . . . 43.32 108.905 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.89 151.59 44.57 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.418 1.087 . . . . 72.25 111.867 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -149.62 144.67 26.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.632 1.208 . . . . 73.41 108.977 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -122.23 158.14 30.1 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.528 1.131 . . . . 63.42 110.14 161.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.68 127.01 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 105.75 -1.944 . . . . 61.45 105.75 165.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 m -126.69 160.15 31.61 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.734 1.614 . . . . 34.43 108.518 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -146.83 140.01 25.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.611 0.764 . . . . 71.15 110.25 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.21 136.17 57.87 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 126.304 1.841 . . . . 73.33 113.81 -171.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 103.301 -2.852 . . . . 70.3 103.301 175.161 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 N--CA 1.504 2.237 0 N-CA-C 106.19 -1.782 . . . . 73.55 106.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 57.59 -158.98 0.27 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.45 1.9 . . . . 73.41 113.06 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -78.18 -21.78 49.63 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.319 -0.848 . . . . 62.12 112.86 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 57.64 32.3 21.65 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.682 1.993 . . . . 64.34 113.496 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 65.9 t60 60.38 87.67 0.09 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.581 1.952 . . . . 62.32 110.581 -167.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 135.63 57.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.21 1.004 . . . . 73.1 111.99 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.94 139.62 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.274 1.43 . . . . 42.51 109.08 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -84.08 147.63 27.26 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.543 1.137 . . . . 75.2 111.264 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 64.36 37.39 8.44 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.082 1.753 . . . . 75.43 112.659 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -80.95 135.84 35.94 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.574 1.15 . . . . 73.21 109.983 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -79.86 69.36 6.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.223 1.009 . . . . 74.3 108.634 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p -135.49 111.22 9.32 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.882 1.273 . . . . 73.43 109.075 -171.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -172.22 34.67 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.087 -1.205 . . . . 62.3 110.087 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -125.65 136.46 53.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.116 1.366 . . . . 72.05 108.498 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -141.77 121.7 13.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 73.55 109.724 -167.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -82.27 145.08 30.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.092 0.557 . . . . 63.23 110.049 172.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.48 124.35 17.89 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.584 1.553 . . . . 73.22 111.222 166.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -94.18 -49.41 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 124.407 1.067 . . . . 70.53 109.748 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.7 p -164.43 171.64 14.42 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.157 1.383 . . . . 65.41 110.585 -175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -161.79 147.22 13.37 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.151 1.38 . . . . 74.31 110.235 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -125.67 142.09 51.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.385 1.874 . . . . 45.34 109.967 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.77 30.1 18.44 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.057 2.143 . . . . 73.35 112.725 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -60.1 -50.17 74.74 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 125.418 1.487 . . . . 63.43 113.195 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -67.47 -34.35 76.98 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 124.712 1.257 . . . . 73.44 113.109 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.93 79.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.722 1.209 . . . . 65.25 112.96 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -77.79 -42.99 32.01 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 124.818 1.247 . . . . 65.33 113.906 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -26.26 65.32 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.337 1.023 . . . . 65.41 111.894 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmmt? -76.82 -37.07 56.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.269 1.427 . . . . 62.15 112.349 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.93 65.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.507 1.299 . . . . 42.34 114.507 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 pt -87.84 -18.84 8.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 123.919 0.888 . . . . 75.12 112.608 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.17 29.39 9.68 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.272 -1.294 . . . . 70.33 113.393 171.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.7 146.48 95.81 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 119.512 1.656 . . . . 73.21 109.826 165.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.17 137.49 61.66 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.692 2.261 . . . . 71.41 112.32 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.03 -27.24 63.38 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.15 1.78 . . . . 74.13 115.088 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.11 -50.56 71.4 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.015 0.926 . . . . 65.14 112.982 168.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.13 -21.54 66.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.044 1.337 . . . . 72.24 113.308 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.72 -61.06 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.85 0.86 . . . . 71.25 109.914 168.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -64.4 -24.26 67.57 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.672 1.73 . . . . 72.51 115.672 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -90.8 -41.27 11.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.296 -0.859 . . . . 74.44 111.262 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.9 -19.51 69.74 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 125.054 1.312 . . . . 50.4 114.22 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -66.28 -34.51 78.17 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.834 1.317 . . . . 75.03 113.34 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.95 -17.18 22.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.199 1.4 . . . . 72.31 112.664 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 17.9 mm -72.48 112.25 7.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 N-CA-C 108.816 -0.809 . . . . 62.22 108.816 170.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 119.28 10.34 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 124.809 1.318 . . . . 74.41 110.412 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.08 168.24 24.41 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.569 1.168 . . . . 45.33 110.394 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.5 t -139.09 148.41 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.648 1.579 . . . . 70.34 108.092 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -126.26 149.75 48.88 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.171 1.388 . . . . 54.13 109.011 170.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -143.06 109.09 5.21 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.797 -1.186 . . . . 74.12 107.797 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 mt -109.25 146.18 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 107.466 -1.309 . . . . 75.4 107.466 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.28 103.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 109.134 -0.691 . . . . 72.01 109.134 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -79.16 124.78 28.66 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.262 -0.644 . . . . 74.4 109.262 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -126.09 74.23 1.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.136 1.774 . . . . 74.22 106.998 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.55 -120.87 7.15 Favored Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.874 -1.69 . . . . 72.11 108.874 -176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -25.71 56.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 117.975 -1.012 . . . . 73.11 112.756 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -71.99 147.94 46.42 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.802 0.841 . . . . 54.34 111.586 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 91' ' ' LEU . 39.7 m-85 -141.27 123.27 15.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.202 1.801 . . . . 75.23 109.503 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -91.65 146.07 24.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.531 1.144 . . . . 74.12 110.144 156.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -136.39 100.83 4.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 126.006 1.722 . . . . 74.03 107.853 171.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.2 m -95.48 139.63 31.49 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.133 0.896 . . . . 73.11 108.686 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -138.8 133.09 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 107.025 -1.472 . . . . 71.24 107.025 173.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -130.95 125.29 33.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.301 1.04 . . . . 74.21 108.922 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.17 149.38 4.18 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.682 1.593 . . . . 71.34 108.935 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 70.18 22.68 77.45 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-O 118.926 -0.93 . . . . 72.42 113.012 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.4 m 65.67 23.12 11.63 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.4 2.28 . . . . 74.02 114.379 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 151.35 50.45 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.424 1.49 . . . . 75.24 109.472 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.83 141.49 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.904 1.282 . . . . 55.31 108.905 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.99 131.04 74.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.863 -1.903 . . . . 72.32 105.863 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.83 136.42 54.91 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 124.086 0.866 . . . . 73.31 109.431 167.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -125.14 147.13 49.16 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 125.322 1.639 . . . . 52.35 109.05 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -130.6 137.1 49.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 125.728 1.893 . . . . 44.03 107.992 168.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE2' HG11 ' A' ' 83' ' ' VAL . 52.5 p90 -153.09 170.53 20.26 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.661 1.226 . . . . 73.04 109.964 171.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 m -134.36 127.13 31.04 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.58 137.94 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.672 0.607 . . . . 74.41 111.761 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.39 -13.18 58.69 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.05 1.309 . . . . 74.31 112.334 -172.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -110.04 160.76 16.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.564 1.945 . . . . 65.44 109.412 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -92.72 129.57 38.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.947 0.899 . . . . 71.35 109.984 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 70.7 m -143.05 156.56 44.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.102 1.361 . . . . 73.13 109.608 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.42 112.98 25.12 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.821 0.848 . . . . 74.34 110.233 -174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.3 mt -99.19 124.84 44.56 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.943 1.297 . . . . 65.33 110.468 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -83.6 148.39 27.18 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.709 2.003 . . . . 64.43 110.536 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.9 p -121.22 172.87 7.68 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.051 1.341 . . . . 65.2 110.67 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.4 mmt -57.01 -33.16 66.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.114 1.766 . . . . 72.21 114.181 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.1 p -75.82 -15.47 60.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.234 1.813 . . . . 54.03 113.611 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.98 -8.09 60.95 Favored Glycine 0 CA--C 1.537 1.452 0 CA-C-O 117.874 -1.514 . . . . 72.11 112.933 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.56 140.46 57.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.852 1.826 . . . . 51.14 111.483 173.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -114.99 133.66 55.84 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 125.184 1.552 . . . . 73.24 107.918 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.78 140.35 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 O-C-N 124.255 0.972 . . . . 52.22 109.565 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -72.14 137.26 46.87 Favored 'General case' 0 C--N 1.344 0.368 0 O-C-N 124.158 0.911 . . . . 64.23 111.626 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.5 t -165.15 144.94 6.89 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 124.933 1.395 . . . . 74.41 110.126 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.62 140.17 16.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.075 0.95 . . . . 71.31 109.092 171.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 63' ' ' PHE . 25.5 t -111.66 139.23 36.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.186 0.929 . . . . 75.24 108.858 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -113.54 158.26 20.99 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.654 1.581 . . . . 72.33 110.215 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tt -137.58 137.6 38.71 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.225 1.41 . . . . 74.15 109.046 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -108.73 159.33 16.84 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.09 1.356 . . . . 65.14 109.657 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.16 21.11 1.8 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.732 1.634 . . . . 74.23 114.179 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.62 22.69 9.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.319 1.848 . . . . 70.11 110.688 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 69.9 30.44 3.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.755 1.622 . . . . 53.43 112.412 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -113.26 148.42 35.61 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.212 1.005 . . . . 75.42 110.346 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD11 ' CE2' ' A' ' 48' ' ' PHE . 33.9 mt -121.7 151.77 40.12 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.546 1.539 . . . . 64.04 108.491 167.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -142.47 128.39 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 124.492 1.117 . . . . 62.55 108.881 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.6 t -146.33 143.26 29.01 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.709 1.204 . . . . 74.54 110.213 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.3 m -125.26 120.81 32.25 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.623 0.769 . . . . 73.45 109.89 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -143.92 126.05 15.51 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.413 1.085 . . . . 64.14 109.753 -173.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp 59.4 29.09 18.61 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.009 1.324 . . . . 73.3 113.36 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 t30 72.45 5.5 5.27 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.458 2.303 . . . . 72.01 114.371 -170.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.44 HG12 HD12 ' A' ' 115' ' ' LEU . 27.3 mt -87.0 101.71 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 125.123 1.369 . . . . 73.41 107.889 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -81.75 82.83 7.31 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.251 1.82 . . . . 61.23 109.692 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.1 t -76.46 137.14 39.5 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.853 0.861 . . . . 34.33 111.62 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.4 t -134.75 133.96 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.87 1.668 . . . . 74.23 106.848 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -123.06 153.43 39.9 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.649 1.18 . . . . 45.21 108.882 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -149.67 122.07 8.47 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.647 0.779 . . . . 63.03 110.279 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.4 tp -82.8 135.57 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.44 1.496 . . . . 52.4 109.014 168.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.69 81.24 1.61 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.073 -1.084 . . . . 62.45 108.073 -175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.15 -104.98 1.66 Allowed Glycine 0 C--N 1.346 1.136 0 N-CA-C 108.815 -1.714 . . . . 44.23 108.815 -175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -102.57 -2.98 27.44 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.384 1.874 . . . . 73.33 112.713 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.1 mm -109.61 137.27 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.527 1.131 . . . . 74.42 109.395 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 50.5 mm -115.02 110.52 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 124.337 1.055 . . . . 74.32 108.948 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -89.66 141.63 28.43 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.488 1.117 . . . . 74.24 108.821 168.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.94 146.51 47.36 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.653 1.581 . . . . 72.21 108.18 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 53.6 m -142.95 142.43 31.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.932 1.693 . . . . 72.14 107.499 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 47.0 mtt -137.52 122.23 18.66 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.075 0.95 . . . . 62.25 108.771 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.2 m -113.23 110.76 20.92 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 123.921 0.763 . . . . 72.1 109.938 -177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.44 HD12 HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -120.33 107.86 13.46 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.636 -1.246 . . . . 64.34 107.636 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 72.55 -94.69 0.66 Allowed Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.587 -1.405 . . . . 74.52 109.587 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -124.56 -5.28 7.64 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.47 1.508 . . . . 65.24 111.224 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.5 mm -84.4 112.45 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.676 0.791 . . . . 63.52 109.419 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.1 t -100.94 84.46 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.451 1.094 . . . . 43.32 108.112 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.88 144.22 50.76 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.497 1.119 . . . . 72.25 110.683 172.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -148.27 145.02 28.02 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 124.437 1.086 . . . . 73.41 109.153 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.73 139.4 29.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.383 1.873 . . . . 63.42 108.292 -163.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.02 124.52 46.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.728 -1.212 . . . . 61.45 107.728 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.5 m -134.26 154.97 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.462 1.505 . . . . 34.43 109.696 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -144.03 142.98 30.97 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.662 1.185 . . . . 71.15 110.003 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -53.07 135.23 37.69 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 126.61 1.964 . . . . 73.33 114.02 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 124.419 2.057 . . . . 70.3 106.462 176.214 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 44.0 t60 . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 103.069 -2.937 . . . . 73.55 103.069 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.94 94.83 2.88 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 124.056 0.943 . . . . 73.41 110.154 170.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 66.45 172.63 0.24 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.691 1.996 . . . . 62.12 113.578 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 29.5 m80 65.58 -172.26 0.19 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.331 1.852 . . . . 64.34 113.581 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -144.97 154.84 42.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.11 0.964 . . . . 62.32 111.261 -170.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -145.04 49.59 1.27 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.038 1.335 . . . . 73.1 111.461 -164.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.63 154.15 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 C-N-CA 125.01 1.324 . . . . 42.51 112.65 176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . 60.34 -162.34 0.26 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.669 1.988 . . . . 75.2 114.068 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 ptm -96.01 45.81 1.08 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.116 0.966 . . . . 75.43 110.179 164.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -69.85 167.28 17.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.803 1.241 . . . . 73.21 110.93 164.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -55.89 -25.21 41.62 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.048 1.87 . . . . 74.3 116.048 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -59.01 134.83 57.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.412 1.485 . . . . 73.43 114.995 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.94 177.76 19.11 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 124.688 1.243 . . . . 62.3 110.076 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -102.66 140.24 37.2 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.739 1.616 . . . . 72.05 109.51 171.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -139.7 109.75 6.45 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.919 1.288 . . . . 73.55 109.856 -173.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -75.15 141.46 43.69 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.966 0.506 . . . . 63.23 111.045 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.24 130.27 38.06 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.857 2.063 . . . . 73.22 112.658 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -103.43 -58.38 1.88 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.835 1.334 . . . . 70.53 109.908 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -153.25 161.98 41.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.594 1.158 . . . . 65.41 110.963 -170.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -156.33 148.19 22.97 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.371 1.044 . . . . 74.31 110.419 173.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -121.19 142.03 50.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.052 1.741 . . . . 45.34 108.895 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 58.04 36.91 26.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.977 2.111 . . . . 73.35 112.772 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -61.21 -53.36 57.89 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.786 1.234 . . . . 63.43 112.366 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.38 -40.01 95.07 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.088 1.755 . . . . 73.44 112.437 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.4 85.24 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.569 1.548 . . . . 65.25 112.875 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -75.85 -42.8 48.5 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 124.233 1.013 . . . . 65.33 113.019 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -27.92 67.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.331 1.019 . . . . 65.41 112.493 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -70.45 -48.29 56.58 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.896 0.878 . . . . 62.15 111.601 166.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.94 -32.37 73.88 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.916 1.45 . . . . 42.34 114.916 -173.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.7 pt -75.85 -17.27 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 N-CA-C 113.567 0.951 . . . . 75.12 113.567 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.91 18.64 28.99 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 118.094 -1.392 . . . . 70.33 113.182 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mp -70.05 140.91 88.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 CA-C-N 119.618 1.709 . . . . 73.21 109.863 169.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -64.92 143.66 80.19 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.664 2.242 . . . . 71.41 112.109 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.71 -30.55 44.39 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.202 1.556 . . . . 74.13 115.202 -173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.32 -34.05 74.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.383 -0.818 . . . . 65.14 113.069 177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.92 -20.62 59.63 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 117.88 -1.057 . . . . 72.24 113.285 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mt -74.26 -53.85 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.447 0.699 . . . . 71.25 109.953 171.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -67.47 -22.02 65.5 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.89 1.441 . . . . 72.51 114.89 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -90.25 -46.69 8.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.643 0.777 . . . . 74.44 110.562 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -19.18 70.29 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.326 1.441 . . . . 50.4 114.562 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.07 -26.44 66.74 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.888 1.344 . . . . 75.03 113.381 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -110.12 -8.51 14.78 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.945 1.698 . . . . 72.31 113.787 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.652 HG21 ' H ' ' A' ' 55' ' ' GLY . 47.6 mm -75.4 103.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 119.527 1.058 . . . . 62.22 109.159 170.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 98.22 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.275 2.23 . . . . 74.41 111.241 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.18 165.15 54.59 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.382 1.051 . . . . 45.33 111.677 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.24 137.94 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 107.565 -1.272 . . . . 70.34 107.565 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.7 t -111.21 156.85 20.83 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.113 1.365 . . . . 54.13 108.637 170.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -142.21 144.45 33.38 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 107.224 -1.398 . . . . 74.12 107.224 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 mt -138.16 151.2 24.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.751 -1.203 . . . . 75.4 107.751 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 t -141.32 140.81 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.317 1.447 . . . . 72.01 107.296 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -123.66 126.08 45.94 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.419 1.088 . . . . 74.4 108.752 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -133.91 70.09 1.46 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.33 1.852 . . . . 74.22 108.063 -177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.65 -114.51 5.14 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.427 -1.469 . . . . 72.11 109.427 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.06 -29.93 49.48 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.472 1.109 . . . . 73.11 112.468 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -73.59 137.98 44.62 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 54.34 110.889 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -124.89 149.92 47.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.654 1.582 . . . . 75.23 108.864 169.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -132.06 132.08 43.02 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.882 -1.525 . . . . 74.12 106.882 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -115.55 149.58 37.97 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.303 1.441 . . . . 74.03 109.137 170.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -130.48 140.67 50.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.321 1.848 . . . . 73.11 106.915 166.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 92.5 mt -137.58 122.72 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.2 -1.778 . . . . 71.24 106.2 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.8 m -123.09 112.54 17.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.943 1.297 . . . . 74.21 108.484 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.48 139.25 5.56 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.696 1.198 . . . . 71.34 109.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.652 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 84.04 32.07 24.41 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-O 118.755 -1.025 . . . . 72.42 112.284 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 t 65.17 28.59 12.12 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.487 1.915 . . . . 74.02 113.213 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.21 150.91 32.23 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.192 1.397 . . . . 75.24 109.243 -177.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.2 t -110.91 141.47 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 125.146 1.379 . . . . 55.31 108.549 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.79 135.74 56.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.076 -1.824 . . . . 72.32 106.076 165.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -123.64 143.52 50.19 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.383 1.073 . . . . 73.31 108.705 165.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -144.59 113.66 6.9 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.811 1.245 . . . . 52.35 109.922 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 mp0 -79.79 152.24 29.88 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 125.317 1.636 . . . . 44.03 110.409 161.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -163.5 163.34 24.76 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.122 1.369 . . . . 73.04 109.431 161.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -127.16 122.59 34.56 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.405 -1.332 . . . . 74.33 107.405 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.66 125.83 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 O-C-N 124.096 0.873 . . . . 74.41 110.975 -175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.07 -11.01 58.68 Favored Glycine 0 CA--C 1.54 1.63 0 CA-C-O 117.985 -1.453 . . . . 74.31 111.954 -171.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -119.19 158.19 26.46 Favored 'General case' 0 C--N 1.347 0.465 0 CA-C-N 119.614 1.707 . . . . 65.44 111.112 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.4 125.26 30.84 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 124.61 1.194 . . . . 71.35 110.585 169.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 87.7 m -134.93 154.06 51.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.68 1.592 . . . . 73.13 108.495 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.63 113.32 25.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.368 0.667 . . . . 74.34 111.027 -177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -93.24 132.9 36.99 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.279 1.432 . . . . 65.33 109.948 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -92.24 139.8 30.25 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.174 1.39 . . . . 64.43 109.644 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.9 p -100.81 175.12 5.74 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.001 1.321 . . . . 65.2 111.53 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.7 mtt -67.39 -26.49 66.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.69 1.196 . . . . 72.21 114.116 174.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -78.91 -16.48 56.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.553 1.141 . . . . 54.03 112.891 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.81 5.57 61.15 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.757 -1.024 . . . . 72.11 112.718 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -70.27 154.25 42.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.967 1.307 . . . . 51.14 110.855 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -126.21 129.2 48.5 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.218 1.007 . . . . 73.24 108.842 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.3 m -144.49 134.45 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.737 1.215 . . . . 52.22 111.19 -174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -71.45 143.55 50.03 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.068 1.347 . . . . 64.23 113.03 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -171.49 147.65 2.41 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 125.071 1.482 . . . . 74.41 110.898 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -77.11 140.05 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.226 1.011 . . . . 71.31 110.228 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 t -113.52 142.96 24.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 124.477 1.11 . . . . 75.24 108.699 170.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -120.2 157.8 28.31 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.129 1.772 . . . . 72.33 109.01 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.0 tp -133.96 132.57 40.33 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.712 1.205 . . . . 74.15 108.991 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -94.43 -171.15 2.43 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.534 1.534 . . . . 65.14 110.334 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.98 -27.51 33.94 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 119.03 -0.872 . . . . 74.23 112.918 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -91.59 29.38 1.52 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.491 1.517 . . . . 70.11 111.94 -170.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 62.01 42.89 9.51 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.102 1.761 . . . . 53.43 111.3 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -117.46 121.4 40.94 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.951 0.901 . . . . 75.42 109.588 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.78 149.47 25.72 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.101 0.876 . . . . 64.04 109.277 163.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.6 t -141.79 130.92 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.566 1.166 . . . . 62.55 108.103 172.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 t -160.79 171.6 18.52 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.498 1.519 . . . . 74.54 109.863 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.5 p -141.54 139.78 33.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.494 1.518 . . . . 73.45 109.346 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -149.77 122.0 8.37 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.009 0.924 . . . . 64.14 108.659 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.27 42.23 28.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.855 1.662 . . . . 73.3 114.411 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.9 t30 73.17 -3.14 2.52 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.176 1.79 . . . . 72.01 113.789 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.8 mt -91.2 97.72 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.742 -1.207 . . . . 73.41 107.742 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.28 133.14 52.17 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.916 0.886 . . . . 61.23 109.402 164.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 p -135.47 111.6 9.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.513 1.133 . . . . 34.33 109.341 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.88 132.26 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 O-C-N 125.393 1.683 . . . . 74.23 107.315 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.4 m -115.6 150.58 36.44 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.96 -1.126 . . . . 45.21 107.96 167.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -142.64 133.78 25.96 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 123.881 0.738 . . . . 63.03 110.467 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.37 141.21 30.73 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.263 1.825 . . . . 52.4 108.275 169.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -140.66 74.28 1.46 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 107.648 -1.242 . . . . 62.45 107.648 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.38 -92.55 0.5 Allowed Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.143 1.354 . . . . 44.23 110.603 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 4.19 21.86 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.643 1.977 . . . . 73.33 111.917 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.0 mm -117.87 142.65 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.173 1.389 . . . . 74.42 108.245 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.8 mm -124.36 128.59 73.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.416 1.086 . . . . 74.32 108.893 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.4 m -114.26 148.69 37.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.387 . . . . 74.24 108.941 172.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -131.24 150.42 52.15 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.206 1.402 . . . . 72.21 108.365 163.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 94.5 m -138.66 112.73 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.563 1.545 . . . . 72.14 107.054 169.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 38.0 mmm -115.42 89.2 3.05 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.199 1.4 . . . . 62.25 108.329 -173.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 m -81.99 119.23 23.71 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.588 1.555 . . . . 72.1 111.334 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -120.3 77.5 1.27 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.759 1.223 . . . . 64.34 107.992 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.89 -112.59 4.95 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.946 1.26 . . . . 74.52 110.332 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.47 -12.6 61.16 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.455 1.902 . . . . 65.24 113.559 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 31.1 mm -97.69 140.77 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.624 1.17 . . . . 63.52 108.827 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.27 85.69 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.521 -0.918 . . . . 43.32 108.521 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -70.11 145.5 51.54 Favored 'General case' 0 C--N 1.344 0.327 0 C-N-CA 123.199 0.6 . . . . 72.25 110.536 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -146.01 149.21 33.71 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 107.567 -1.271 . . . . 73.41 107.567 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -146.61 146.14 30.32 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.296 1.438 . . . . 63.42 109.139 -170.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -135.97 133.84 50.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.434 1.493 . . . . 61.45 107.495 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.8 m -136.92 156.23 48.73 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.073 1.749 . . . . 34.43 108.941 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -139.07 141.03 38.21 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.612 1.165 . . . . 71.15 109.144 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -63.93 137.46 58.03 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.341 1.026 . . . . 73.33 113.409 -170.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 125.392 2.52 . . . . 70.3 107.804 178.213 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 20.8 p80 . . . . . 0 N--CA 1.5 2.071 0 N-CA-C 103.539 -2.763 . . . . 73.55 103.539 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -98.3 148.02 24.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.559 1.144 . . . . 73.41 111.327 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.07 -178.58 0.21 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.983 2.113 . . . . 62.12 112.728 -175.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -115.55 -10.91 11.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.986 0.914 . . . . 64.34 113.444 -172.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -119.23 154.28 33.65 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.269 1.428 . . . . 62.32 108.012 169.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -69.57 136.98 51.99 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 123.839 0.712 . . . . 73.1 111.048 168.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.79 143.47 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 124.842 1.339 . . . . 42.51 108.59 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -127.52 26.52 5.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.7 1.2 . . . . 75.2 111.608 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtp -125.45 66.16 1.15 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 125.535 1.534 . . . . 75.43 108.529 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -113.37 132.54 55.56 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.302 1.441 . . . . 73.21 108.195 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 41' ' ' ILE . 78.7 m-85 -61.04 -23.37 65.38 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.253 1.575 . . . . 74.3 115.253 -174.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -51.68 124.37 12.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.734 2.014 . . . . 73.43 114.392 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 145.97 173.11 16.92 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.563 1.078 . . . . 62.3 110.443 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -96.15 142.93 27.74 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.092 1.357 . . . . 72.05 111.595 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -143.47 115.17 8.17 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.204 1.402 . . . . 73.55 108.243 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -72.78 144.06 47.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.738 -0.648 . . . . 63.23 110.567 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.0 125.67 24.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.128 1.371 . . . . 73.22 110.659 170.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -109.15 -39.92 5.12 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 124.697 1.248 . . . . 70.53 110.748 -171.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.8 t -165.27 163.58 20.05 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.921 1.289 . . . . 65.41 109.484 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.86 158.35 34.95 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.954 1.302 . . . . 74.31 110.489 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -149.84 134.62 17.71 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.628 1.171 . . . . 45.34 109.147 -171.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 60.45 30.99 20.21 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.11 2.164 . . . . 73.35 112.573 -170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.3 -52.68 64.25 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 124.768 1.227 . . . . 63.43 112.421 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.6 -38.97 92.26 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.455 1.097 . . . . 73.44 113.501 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.03 89.79 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.613 1.165 . . . . 65.25 112.714 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -73.62 -43.78 58.74 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.419 1.087 . . . . 65.33 113.518 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.494 ' SD ' HD22 ' A' ' 24' ' ' LEU . 4.9 tpp -67.43 -23.69 65.56 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.397 1.479 . . . . 65.41 112.354 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -80.39 -41.46 24.6 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.971 0.908 . . . . 62.15 111.381 168.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.96 71.99 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.604 1.335 . . . . 42.34 114.604 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.525 HD12 HD13 ' A' ' 24' ' ' LEU . 37.5 pt -76.83 -19.54 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.316 1.046 . . . . 75.12 113.509 171.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 23.3 15.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 117.942 -1.477 . . . . 70.33 113.5 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 HD12 ' A' ' 22' ' ' ILE . 4.0 mp -76.02 144.32 75.51 Favored Pre-proline 0 CA--C 1.55 0.945 0 CA-C-N 120.069 1.934 . . . . 73.21 109.699 168.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.29 138.41 55.61 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.856 2.371 . . . . 71.41 112.217 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -64.0 -20.22 65.74 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.059 1.503 . . . . 74.13 115.059 -172.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -59.64 -49.81 76.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.644 1.178 . . . . 65.14 112.278 165.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.46 -16.48 62.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.506 1.522 . . . . 72.24 113.404 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.7 mt -76.98 -50.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.024 0.929 . . . . 71.25 110.64 169.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -63.88 -32.07 73.47 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.802 1.038 . . . . 72.51 113.802 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -83.29 -41.67 18.03 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.641 1.176 . . . . 74.44 111.894 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.26 -24.81 76.57 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-O 118.662 -1.076 . . . . 50.4 113.44 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -75.15 -29.55 60.51 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.669 1.235 . . . . 75.03 112.117 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -76.11 -45.68 32.58 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.953 1.701 . . . . 72.31 111.313 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG21 ' H ' ' A' ' 55' ' ' GLY . 10.9 mm -64.53 109.01 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 125.095 1.358 . . . . 62.22 110.876 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -72.21 102.81 3.16 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.703 1.201 . . . . 74.41 109.776 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.55 179.12 53.31 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.977 1.423 . . . . 45.33 112.284 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.6 t -136.06 144.9 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.504 1.521 . . . . 70.34 109.145 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -115.67 149.48 38.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.374 1.47 . . . . 54.13 108.911 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -136.41 121.0 18.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.776 -1.564 . . . . 74.12 106.776 168.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 3' ' ' PHE . 44.6 mt -112.51 147.73 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.778 -1.193 . . . . 75.4 107.778 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -132.43 141.56 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 107.537 -1.283 . . . . 72.01 107.537 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -123.17 124.27 42.66 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.446 1.099 . . . . 74.4 108.603 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -129.82 59.77 1.61 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.477 1.911 . . . . 74.22 108.356 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.75 -121.11 6.59 Favored Glycine 0 CA--C 1.534 1.26 0 N-CA-C 108.726 -1.75 . . . . 72.11 108.726 -175.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -27.97 61.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.453 1.101 . . . . 73.11 112.76 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -75.16 144.46 42.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.349 0.66 . . . . 54.34 110.854 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.31 159.45 40.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.575 1.95 . . . . 75.23 109.733 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -138.08 138.02 38.33 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 124.463 1.102 . . . . 74.12 108.081 168.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.0 96.34 4.32 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.384 1.474 . . . . 74.03 109.346 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.0 m -88.61 136.8 32.81 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.331 1.02 . . . . 73.11 109.486 170.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 70.1 mt -137.21 133.41 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 107.258 -1.386 . . . . 71.24 107.258 172.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.6 m -126.44 124.38 40.01 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.08 1.352 . . . . 74.21 108.909 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -170.05 137.04 1.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.773 1.229 . . . . 71.34 109.375 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 75.28 31.94 56.4 Favored Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.867 -0.963 . . . . 72.42 112.816 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.5 m 67.72 22.69 8.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.906 2.082 . . . . 74.02 114.346 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.82 159.99 40.2 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.625 1.57 . . . . 75.24 109.451 176.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.84 136.72 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 124.643 1.215 . . . . 55.31 109.384 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.48 146.96 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 126.355 1.862 . . . . 72.32 107.952 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -136.79 127.52 27.19 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.176 0.99 . . . . 73.31 110.41 164.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -122.29 93.02 3.85 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 125.39 1.476 . . . . 52.35 109.592 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -67.92 136.71 54.42 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 124.152 0.907 . . . . 44.03 109.806 157.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -160.08 155.36 25.09 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.281 1.032 . . . . 73.04 109.492 167.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -121.62 127.1 50.49 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.936 -1.135 . . . . 74.33 107.936 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -70.67 130.93 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.05 0.844 . . . . 74.41 111.094 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.47 -6.91 82.93 Favored Glycine 0 CA--C 1.542 1.728 0 CA-C-O 118.142 -1.366 . . . . 74.31 112.856 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -119.78 162.95 18.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.375 1.588 . . . . 65.44 110.249 174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.77 141.45 32.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.976 0.911 . . . . 71.35 110.43 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 2.1 m -152.75 155.63 37.56 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.086 1.754 . . . . 73.13 108.716 174.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -85.65 122.14 29.33 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.684 0.615 . . . . 74.34 111.465 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.52 110.74 22.16 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 124.649 1.218 . . . . 65.33 109.239 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.17 102.93 0.43 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.353 1.861 . . . . 64.43 110.357 164.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.4 p -73.3 174.4 8.14 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.649 1.179 . . . . 65.2 111.636 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 21.6 mmt -60.77 -26.48 67.28 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 115.337 1.606 . . . . 72.21 115.337 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -81.51 -13.44 58.12 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.01 1.324 . . . . 54.03 113.25 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.81 -9.85 62.15 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.414 1.483 . . . . 72.11 111.902 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.28 131.63 46.98 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 118.93 1.365 . . . . 51.14 110.944 174.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.61 140.72 34.48 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.245 0.965 . . . . 73.24 109.885 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.69 138.07 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.984 0.914 . . . . 52.22 110.689 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -64.3 139.8 58.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.829 1.652 . . . . 64.23 113.036 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -170.08 152.63 4.34 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.763 1.289 . . . . 74.41 110.916 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.71 136.75 33.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 124.796 1.238 . . . . 71.31 108.948 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 91' ' ' LEU . 45.5 t -110.89 143.76 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.757 1.223 . . . . 75.24 109.174 -179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -129.37 145.36 51.41 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.317 1.047 . . . . 72.33 110.721 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.3 tt -116.46 130.26 56.66 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.331 1.453 . . . . 74.15 109.989 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -94.12 160.34 14.75 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.015 1.326 . . . . 65.14 109.939 172.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.31 -4.18 42.66 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 124.963 1.268 . . . . 74.23 114.54 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -107.3 37.44 2.39 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.474 1.91 . . . . 70.11 111.947 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.95 29.23 10.34 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.942 1.697 . . . . 53.43 113.334 170.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -127.62 119.44 25.91 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.219 0.608 . . . . 75.42 111.568 -166.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 83' ' ' VAL . 4.0 mm? -82.79 150.03 26.86 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.699 1.25 . . . . 64.04 110.094 166.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.3 t -134.25 126.65 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.02 -1.474 . . . . 62.55 107.02 168.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.1 t -148.21 153.23 38.48 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.408 1.483 . . . . 74.54 109.867 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.8 m -137.68 131.34 31.27 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.453 0.701 . . . . 73.45 110.731 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -150.0 127.79 11.73 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.134 0.974 . . . . 64.14 110.132 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt 50.0 45.68 25.05 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.838 1.655 . . . . 73.3 114.594 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 75.39 2.62 3.88 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.147 1.779 . . . . 72.01 113.999 -176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 mt -103.53 102.58 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.994 1.318 . . . . 73.41 108.809 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -83.3 108.58 16.6 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.65 0.78 . . . . 61.23 109.542 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 t -99.36 142.41 30.88 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.503 1.521 . . . . 34.33 110.829 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.56 121.84 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.051 1.34 . . . . 74.23 107.628 174.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.1 m -99.52 152.7 19.71 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.502 1.126 . . . . 45.21 109.259 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -138.94 131.09 28.15 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.829 1.652 . . . . 63.03 107.327 172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.62 136.36 35.01 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.52 -1.289 . . . . 52.4 107.52 159.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.5 72.92 1.33 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.591 -0.892 . . . . 62.45 108.591 -176.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 72.69 -118.55 6.59 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 108.627 -1.789 . . . . 44.23 108.627 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.92 5.98 37.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.782 1.633 . . . . 73.33 112.83 176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.5 mm -112.31 149.29 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.361 1.464 . . . . 74.42 108.727 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.1 mm -126.15 134.23 66.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.502 1.121 . . . . 74.32 108.34 167.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.8 m -111.19 140.63 45.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.645 -0.872 . . . . 74.24 108.645 166.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -133.82 108.4 8.44 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.466 1.507 . . . . 72.21 108.344 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.1 m -104.9 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.297 1.439 . . . . 72.14 109.491 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 48.9 mtt -135.87 161.17 36.36 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.852 1.661 . . . . 62.25 109.63 170.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 94.3 m -149.16 108.43 3.94 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.603 0.761 . . . . 72.1 110.367 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -117.3 102.4 9.22 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 126.096 1.758 . . . . 64.34 109.436 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.47 -111.32 3.6 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.091 -1.603 . . . . 74.52 109.091 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -106.23 3.94 28.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.863 1.665 . . . . 65.24 113.407 168.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.9 mm -93.99 90.72 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 109.158 -0.682 . . . . 63.52 109.158 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -74.73 131.12 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 108.313 -0.995 . . . . 43.32 108.313 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -118.74 148.9 42.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.372 1.869 . . . . 72.25 108.488 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.6 tmmt? -148.77 141.22 24.27 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.765 0.666 . . . . 73.41 109.812 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -138.11 150.16 46.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.322 1.849 . . . . 63.42 108.583 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.37 135.74 61.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.749 -1.574 . . . . 61.45 106.749 171.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.2 m -127.14 157.67 39.11 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.967 1.707 . . . . 34.43 109.039 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -144.05 145.34 32.12 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.884 0.874 . . . . 71.15 109.823 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -55.84 139.17 46.55 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.52 1.928 . . . . 73.33 113.699 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 105.533 -2.025 . . . . 70.3 105.533 177.349 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 N--CA 1.501 2.077 0 N-CA-C 103.266 -2.864 . . . . 73.55 103.266 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -157.75 -43.83 0.06 Allowed 'General case' 0 C--N 1.346 0.423 0 C-N-CA 123.675 0.79 . . . . 73.41 111.551 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 62.96 -169.23 0.19 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.358 1.863 . . . . 62.12 113.194 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -146.49 59.4 1.21 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 64.34 109.165 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 3.8 p80 53.2 20.58 1.88 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.036 2.535 . . . . 62.32 116.658 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.7 m170 70.87 104.9 0.06 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.138 2.175 . . . . 73.1 109.406 -163.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 17.6 m -87.64 171.09 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.041 0.936 . . . . 42.51 111.304 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -58.66 162.95 3.55 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.471 1.508 . . . . 75.2 113.05 171.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptm -70.77 43.58 0.07 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.365 1.866 . . . . 75.43 113.956 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -83.81 144.52 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.615 1.166 . . . . 73.21 110.065 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -63.85 -20.95 66.2 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.726 1.21 . . . . 74.3 113.662 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.7 p -50.03 110.13 0.36 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.587 2.355 . . . . 73.43 113.925 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.24 170.46 24.85 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.399 -1.08 . . . . 62.3 110.399 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -109.19 141.93 40.73 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.392 1.477 . . . . 72.05 109.414 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -136.29 162.59 32.56 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.939 1.696 . . . . 73.55 109.988 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -137.74 142.93 40.98 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.651 0.78 . . . . 63.23 109.915 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.17 117.99 2.94 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.684 2.794 . . . . 73.22 112.256 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -94.88 -44.08 7.9 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 125.064 1.478 . . . . 70.53 110.517 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -164.57 160.08 19.84 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.643 1.177 . . . . 65.41 110.704 -170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -159.62 147.47 17.17 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.39 1.076 . . . . 74.31 110.947 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -117.9 140.14 50.14 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.149 1.78 . . . . 45.34 108.384 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 57.78 37.96 27.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.24 1.816 . . . . 73.35 113.03 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -60.2 -52.52 64.96 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.122 0.969 . . . . 63.43 113.329 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -66.42 -30.93 71.4 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 124.682 1.239 . . . . 73.44 113.199 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.83 82.34 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.489 1.116 . . . . 65.25 112.601 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -75.81 -43.46 46.03 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.633 1.173 . . . . 65.33 113.466 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -26.96 66.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.537 1.135 . . . . 65.41 112.661 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -74.77 -43.27 55.73 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.154 1.381 . . . . 62.15 112.101 168.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.96 79.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 42.34 114.581 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.432 HD12 HD13 ' A' ' 24' ' ' LEU . 45.5 pt -72.22 -23.48 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-O 118.059 -0.972 . . . . 75.12 113.601 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.77 21.77 15.44 Favored Glycine 0 CA--C 1.537 1.443 0 CA-C-O 118.171 -1.349 . . . . 70.33 112.952 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 22' ' ' ILE . 1.8 mp -71.22 141.69 86.39 Favored Pre-proline 0 CA--C 1.549 0.906 0 CA-C-N 119.481 1.64 . . . . 73.21 109.361 167.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -64.6 142.19 76.43 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.269 1.98 . . . . 71.41 111.872 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.14 -24.7 56.04 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 74.13 114.749 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.46 -48.59 80.24 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.411 1.484 . . . . 65.14 112.394 170.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.0 -15.57 60.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 72.24 113.684 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -74.74 -52.75 18.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.366 0.666 . . . . 71.25 109.748 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -67.42 -27.81 67.37 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.347 1.24 . . . . 72.51 114.347 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -82.02 -47.17 12.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.004 0.922 . . . . 74.44 111.737 172.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.21 -20.42 79.65 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.403 -1.221 . . . . 50.4 114.301 -170.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -65.68 -31.5 72.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.873 1.336 . . . . 75.03 113.593 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -91.03 -19.52 23.1 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.697 1.599 . . . . 72.31 111.871 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 mm -68.84 142.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.55 1.54 . . . . 62.22 111.994 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -77.62 67.05 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.783 1.633 . . . . 74.41 109.331 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.63 138.86 48.85 Favored Glycine 0 C--N 1.347 1.186 0 C-N-CA 125.806 1.67 . . . . 45.33 111.261 -170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -110.54 143.72 19.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.776 0.83 . . . . 70.34 109.191 -173.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -124.01 154.4 39.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.638 1.175 . . . . 54.13 108.974 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -141.45 141.29 33.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 105.048 -2.205 . . . . 74.12 105.048 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.2 mt -133.63 139.62 48.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 107.034 -1.469 . . . . 75.4 107.034 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.32 139.66 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 107.013 -1.476 . . . . 72.01 107.013 175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -123.02 111.85 17.08 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.808 -1.182 . . . . 74.4 107.808 172.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -119.64 68.55 0.82 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.297 1.839 . . . . 74.22 107.935 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.7 -122.42 8.38 Favored Glycine 0 CA--C 1.533 1.166 0 N-CA-C 109.337 -1.505 . . . . 72.11 109.337 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -71.11 -32.26 68.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 73.11 112.47 173.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -72.95 140.07 47.18 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.058 0.849 . . . . 54.34 110.61 175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -125.73 153.65 43.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.776 1.63 . . . . 75.23 109.05 172.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -129.43 147.68 51.27 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.524 1.14 . . . . 74.12 108.062 161.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -119.24 150.01 40.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 124.771 1.294 . . . . 74.03 108.359 162.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 m -129.15 136.04 49.65 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.429 -1.693 . . . . 73.11 106.429 163.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.69 110.52 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.102 -1.444 . . . . 71.24 107.102 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -105.46 137.51 43.16 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.295 1.438 . . . . 74.21 109.946 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.05 -163.65 1.27 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.226 1.41 . . . . 71.34 110.18 175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.03 -19.71 51.74 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.998 1.761 . . . . 72.42 116.312 -167.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.0 p -163.12 22.7 0.09 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.867 1.333 . . . . 74.02 112.711 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 157.61 39.99 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.496 0.718 . . . . 75.24 111.371 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.11 129.69 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 125.18 1.392 . . . . 55.31 108.312 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mt -105.84 146.84 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 126.02 1.728 . . . . 72.32 107.049 172.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -137.13 141.56 42.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.654 0.782 . . . . 73.31 110.721 165.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -128.5 95.12 4.04 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.886 1.275 . . . . 52.35 108.864 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -73.23 131.92 42.55 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.103 0.877 . . . . 44.03 108.978 160.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -160.59 165.19 31.16 Favored 'General case' 0 C--N 1.342 0.269 0 O-C-N 124.045 0.841 . . . . 73.04 110.839 171.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -129.73 133.0 46.77 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.467 1.107 . . . . 74.33 108.42 174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 135.4 28.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 123.851 0.72 . . . . 74.41 111.932 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.96 7.45 88.51 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.918 1.247 . . . . 74.31 112.937 -174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -132.56 148.65 52.38 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.725 1.61 . . . . 65.44 109.846 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.2 127.3 32.17 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.836 0.71 . . . . 71.35 111.025 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 89.0 m -143.6 149.2 37.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.522 1.529 . . . . 73.13 109.268 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -80.96 113.63 19.3 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.18 0.592 . . . . 74.34 111.775 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.49 124.05 34.16 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 124.665 1.228 . . . . 65.33 108.496 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -77.31 129.66 36.15 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.654 1.221 . . . . 64.43 109.806 169.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 p -92.18 164.51 13.54 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.237 1.015 . . . . 65.2 110.424 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.9 mtt -58.08 -30.5 66.27 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 115.458 1.651 . . . . 72.21 115.458 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.0 p -77.53 -8.54 57.97 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.025 1.33 . . . . 54.03 114.229 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.57 15.81 57.8 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-O 118.769 -1.017 . . . . 72.11 112.25 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.59 160.18 26.52 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.609 1.205 . . . . 51.14 110.032 167.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -132.67 137.5 46.98 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.779 0.832 . . . . 73.24 109.358 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.2 m -145.52 138.27 20.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 124.288 0.993 . . . . 52.22 111.401 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.24 134.27 44.24 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.216 1.806 . . . . 64.23 111.259 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -165.93 151.6 8.93 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.094 0.957 . . . . 74.41 111.167 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -98.61 122.2 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.453 1.101 . . . . 71.31 109.33 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.43 146.34 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 124.275 0.985 . . . . 75.24 108.841 171.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -124.73 155.09 39.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.56 1.144 . . . . 72.33 109.501 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.8 tt -122.56 125.76 46.36 Favored 'General case' 0 C--N 1.344 0.337 0 O-C-N 124.445 1.091 . . . . 74.15 109.339 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -90.1 156.04 18.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.882 1.673 . . . . 65.14 109.041 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.87 3.63 9.27 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 124.955 1.264 . . . . 74.23 114.823 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -107.73 27.25 9.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.835 2.054 . . . . 70.11 112.344 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.91 27.36 2.14 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.643 1.977 . . . . 53.43 112.779 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -126.2 120.54 30.31 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.429 0.691 . . . . 75.42 112.535 -162.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -90.75 141.28 28.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.216 1.406 . . . . 64.04 109.509 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.49 135.43 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.933 1.293 . . . . 62.55 109.347 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -160.69 171.99 17.89 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.921 1.288 . . . . 74.54 111.299 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.3 p -139.43 143.57 37.67 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.315 1.846 . . . . 73.45 108.58 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -155.01 116.31 4.02 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.133 0.973 . . . . 64.14 109.611 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt 56.74 38.46 29.52 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.591 1.556 . . . . 73.3 113.53 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.72 1.58 3.46 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.528 1.931 . . . . 72.01 114.237 -172.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.4 mt -82.16 89.84 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 107.461 -1.311 . . . . 73.41 107.461 171.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.63 136.51 56.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.115 1.766 . . . . 61.23 108.857 165.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -140.32 129.65 23.87 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.082 0.953 . . . . 34.33 108.57 -173.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.5 t -127.17 128.05 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.356 -1.72 . . . . 74.23 106.356 170.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.3 m -120.47 125.73 48.64 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.901 -1.148 . . . . 45.21 107.901 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -121.74 121.19 36.72 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 124.446 1.091 . . . . 63.03 109.952 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.9 tp -83.25 127.49 33.68 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.824 1.25 . . . . 52.4 109.173 168.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -127.92 80.66 1.97 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 107.064 -1.458 . . . . 62.45 107.064 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.97 -100.71 0.72 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.496 1.046 . . . . 44.23 110.564 177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.69 -4.7 40.36 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.909 1.684 . . . . 73.33 112.407 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mm -106.83 143.84 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.814 1.246 . . . . 74.42 109.022 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -120.25 109.12 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.668 1.187 . . . . 74.32 108.015 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -90.1 137.21 32.53 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.291 0.994 . . . . 74.24 108.433 168.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.85 137.36 53.75 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.43 1.492 . . . . 72.21 107.549 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 77.3 m -130.43 117.41 19.64 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 106.597 -1.631 . . . . 72.14 106.597 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.2 mmm -114.44 136.96 52.43 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.588 -1.264 . . . . 62.25 107.588 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.3 m -134.33 118.89 18.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.23 0.612 . . . . 72.1 109.639 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tt -120.5 99.35 6.5 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 106.171 -1.788 . . . . 64.34 106.171 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.61 -123.67 22.91 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 109.386 -1.486 . . . . 74.52 109.386 -175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.88 -19.45 40.88 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.674 1.19 . . . . 65.24 112.436 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.17 98.92 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.556 0.743 . . . . 63.52 110.305 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -92.17 107.3 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 124.541 1.15 . . . . 43.32 108.239 173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -91.43 134.03 34.97 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 72.25 108.767 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -121.18 143.16 49.27 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.292 -1.373 . . . . 73.41 107.292 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -143.37 136.62 28.04 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.417 1.887 . . . . 63.42 107.65 -173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.66 130.0 55.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.034 -1.469 . . . . 61.45 107.034 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.1 m -133.12 154.85 50.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.606 1.562 . . . . 34.43 108.879 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -141.94 147.19 36.62 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.082 0.953 . . . . 71.15 109.744 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -56.54 134.34 54.14 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.655 1.982 . . . . 73.33 114.218 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.0 pt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 104.157 -2.534 . . . . 70.3 104.157 174.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 N--CA 1.502 2.143 0 N-CA-C 104.342 -2.466 . . . . 73.55 104.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 50.17 24.05 1.34 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 130.013 3.325 . . . . 73.41 117.835 164.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -153.35 -74.1 0.13 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.337 -0.84 . . . . 62.12 110.274 -169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 64.77 70.21 0.48 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.341 1.856 . . . . 64.34 111.469 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -134.95 -73.53 0.47 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.906 1.283 . . . . 62.32 110.038 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.99 143.42 57.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.386 1.074 . . . . 73.1 112.758 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 90.5 t -116.91 146.66 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 125.462 1.505 . . . . 42.51 109.374 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -137.18 -175.11 3.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.961 1.305 . . . . 75.2 111.055 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptm -72.88 30.82 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.857 2.063 . . . . 75.43 114.623 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -75.78 132.21 40.29 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.743 -0.836 . . . . 73.21 108.743 167.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.21 -17.91 59.6 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.272 1.212 . . . . 74.3 114.272 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.1 p -56.78 141.85 42.85 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.947 1.699 . . . . 73.43 114.775 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.61 171.76 12.98 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.109 1.338 . . . . 62.3 110.889 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -81.48 141.92 33.4 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.467 1.507 . . . . 72.05 110.637 171.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -141.15 112.57 7.47 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.021 1.328 . . . . 73.55 107.849 173.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 127' ' ' ILE . 10.0 tt0 -63.19 143.63 57.62 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 118.729 -0.653 . . . . 63.23 109.812 171.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tt -72.28 129.71 39.06 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.036 0.835 . . . . 73.22 109.621 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.27 -55.24 3.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 124.166 0.916 . . . . 70.53 110.606 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -161.04 162.33 31.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.683 1.193 . . . . 65.41 110.716 -172.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -155.8 139.65 16.22 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 124.349 1.031 . . . . 74.31 111.633 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -116.7 143.82 45.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.466 1.906 . . . . 45.34 109.78 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 59.28 33.55 22.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.217 2.207 . . . . 73.35 112.28 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -64.36 -48.42 75.6 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.564 1.146 . . . . 63.43 112.756 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -62.29 -41.3 98.37 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.366 1.467 . . . . 73.44 111.742 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.53 84.24 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.555 1.542 . . . . 65.25 113.155 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.56 -42.05 53.22 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.759 1.224 . . . . 65.33 113.594 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.7 64.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.295 1.038 . . . . 65.41 112.214 177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -75.84 -38.98 57.49 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.995 1.318 . . . . 62.15 112.094 169.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.89 71.97 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.415 1.265 . . . . 42.34 114.415 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 HD13 ' A' ' 24' ' ' LEU . 41.9 pt -76.02 -22.21 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 113.363 0.875 . . . . 75.12 113.363 172.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 23.98 13.49 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.185 -1.342 . . . . 70.33 113.141 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 22' ' ' ILE . 2.7 mp -69.95 143.88 92.36 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 119.633 1.716 . . . . 73.21 109.386 166.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -64.78 137.98 56.21 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.423 2.082 . . . . 71.41 111.89 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -51.28 -31.73 22.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.59 1.556 . . . . 74.13 114.479 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -57.61 -49.63 75.8 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.037 1.335 . . . . 65.14 112.08 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.38 -17.17 60.85 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.801 1.241 . . . . 72.24 114.182 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.6 mt -72.89 -54.96 14.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-N 118.831 0.741 . . . . 71.25 109.886 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -69.7 -25.21 63.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.008 1.114 . . . . 72.51 114.008 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -83.56 -38.14 22.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.386 1.074 . . . . 74.44 111.98 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.32 -22.91 61.82 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-O 118.342 -1.254 . . . . 50.4 113.749 -170.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -62.56 -34.35 76.77 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.915 1.358 . . . . 75.03 113.633 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.04 -20.7 37.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.968 1.707 . . . . 72.31 112.98 -177.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -90.97 98.4 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.208 1.003 . . . . 62.22 108.947 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -77.88 105.36 9.02 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.605 -0.887 . . . . 74.41 108.605 169.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.36 -152.54 20.94 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.517 1.136 . . . . 45.33 111.221 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 75.9 t -137.56 144.71 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.608 . . . . 70.34 108.978 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 m -112.04 150.25 30.91 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.394 1.478 . . . . 54.13 108.435 167.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -145.98 121.11 10.12 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.417 -0.957 . . . . 74.12 108.417 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mt -117.51 150.14 19.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 124.52 1.138 . . . . 75.4 108.319 -168.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.14 95.82 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 108.962 -0.755 . . . . 72.01 108.962 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -75.23 132.1 40.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.256 0.622 . . . . 74.4 110.116 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -132.99 66.13 1.57 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.283 2.233 . . . . 74.22 107.234 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.37 -105.2 1.37 Allowed Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.259 -1.536 . . . . 72.11 109.259 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -31.69 54.23 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.641 1.176 . . . . 73.11 112.944 175.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -78.83 152.08 31.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.681 0.673 . . . . 54.34 111.814 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -144.77 124.36 13.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.973 2.109 . . . . 75.23 108.6 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -100.4 143.93 30.0 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.12 108.089 165.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -136.26 108.38 7.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.488 1.515 . . . . 74.03 109.339 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -101.81 139.92 36.8 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.491 1.116 . . . . 73.11 108.696 169.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.33 119.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.123 -1.436 . . . . 71.24 107.123 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.6 m -124.24 109.18 13.08 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.392 1.077 . . . . 74.21 108.972 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -158.41 134.75 9.36 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.902 0.881 . . . . 71.34 110.233 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 20.98 58.78 Favored Glycine 0 CA--C 1.539 1.581 0 CA-C-O 118.56 -1.133 . . . . 72.42 112.86 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t 69.73 39.67 1.46 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.912 2.085 . . . . 74.02 112.648 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 153.8 39.88 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.771 1.628 . . . . 75.24 108.491 172.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.33 137.12 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 124.677 1.235 . . . . 55.31 109.008 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.94 141.82 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 127.09 2.156 . . . . 72.32 106.747 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -139.41 137.7 35.88 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.854 0.861 . . . . 73.31 111.121 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -136.32 141.79 43.82 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.627 1.971 . . . . 52.35 108.78 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -131.84 138.87 48.65 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.623 1.569 . . . . 44.03 107.838 169.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -160.34 153.35 21.56 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.267 1.027 . . . . 73.04 111.305 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -112.24 122.69 48.44 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.903 -1.147 . . . . 74.33 107.903 172.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.94 131.74 33.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 123.898 0.749 . . . . 74.41 111.962 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -14.91 64.42 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 125.357 1.456 . . . . 74.31 112.41 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -118.43 160.37 21.83 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 119.073 1.436 . . . . 65.44 110.618 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.34 137.9 46.94 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.885 0.741 . . . . 71.35 110.628 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 m -147.05 -176.79 5.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.143 1.777 . . . . 73.13 107.899 167.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -125.57 112.21 15.93 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.357 -0.979 . . . . 74.34 108.357 -170.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.29 128.46 35.48 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 124.547 1.155 . . . . 65.33 110.412 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.7 148.41 40.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.625 1.97 . . . . 64.43 110.021 164.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.1 p -117.89 175.24 5.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.469 1.108 . . . . 65.2 110.655 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.0 mmt -61.55 -31.98 72.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.161 1.784 . . . . 72.21 113.737 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.7 p -83.53 -7.0 59.61 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.487 1.515 . . . . 54.03 112.835 171.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.7 -13.68 65.06 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.443 1.497 . . . . 72.11 112.757 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -62.21 126.21 26.57 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.104 1.452 . . . . 51.14 111.397 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -96.3 142.76 28.06 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 124.413 1.071 . . . . 73.24 110.721 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.05 139.65 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.74 1.216 . . . . 52.22 110.552 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.4 141.78 45.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.866 1.267 . . . . 64.23 112.259 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 t -173.62 164.38 4.44 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.291 1.436 . . . . 74.41 110.701 -173.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.01 143.31 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 125.129 1.372 . . . . 71.31 108.788 173.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.88 146.41 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 108.476 -0.935 . . . . 75.24 108.476 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -129.01 142.46 50.91 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.587 1.155 . . . . 72.33 109.742 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.4 tp -111.76 130.25 55.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.88 1.272 . . . . 74.15 109.549 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.4 168.17 11.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.167 1.787 . . . . 65.14 110.737 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.9 15.71 19.46 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.992 1.282 . . . . 74.23 113.96 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -135.75 39.71 2.79 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.033 1.416 . . . . 70.11 109.496 -175.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 65.54 21.27 11.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.07 1.748 . . . . 53.43 113.788 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -115.45 129.82 56.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.227 1.011 . . . . 75.42 111.13 -168.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.4 mt -98.58 152.49 19.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.36 1.064 . . . . 64.04 109.567 167.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.1 t -142.55 139.45 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.848 1.259 . . . . 62.55 109.083 172.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.7 t -157.22 -173.2 4.32 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 125.784 1.634 . . . . 74.54 110.349 173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 p -150.63 143.25 24.48 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.687 1.995 . . . . 73.45 108.406 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -160.03 124.82 3.89 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.994 0.918 . . . . 64.14 109.832 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? 54.76 40.3 31.85 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.994 1.717 . . . . 73.3 113.646 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t30 72.99 -2.41 2.73 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.202 2.201 . . . . 72.01 114.169 -173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.7 mt -83.37 97.41 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.399 1.079 . . . . 73.41 108.488 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -65.28 112.6 3.54 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.702 1.601 . . . . 61.23 108.976 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 p -120.58 125.72 48.5 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 124.342 1.026 . . . . 34.33 110.123 -166.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.6 t -133.78 133.9 56.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.75 1.62 . . . . 74.23 107.888 -173.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 m -128.23 154.73 45.53 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.857 1.263 . . . . 45.21 109.322 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -146.61 123.64 11.41 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.062 0.945 . . . . 63.03 110.08 174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.0 tp -80.74 140.84 35.33 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.375 1.047 . . . . 52.4 109.176 161.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -146.19 76.99 1.47 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.269 -1.011 . . . . 62.45 108.269 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.44 -94.22 1.04 Allowed Glycine 0 C--N 1.346 1.093 0 N-CA-C 109.141 -1.583 . . . . 44.23 109.141 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -116.12 1.63 13.24 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.845 2.058 . . . . 73.33 112.839 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mm -102.17 144.99 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.216 1.006 . . . . 74.42 108.299 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.3 mm -121.19 115.87 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 107.924 -1.139 . . . . 74.32 107.924 169.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -93.02 144.49 25.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.962 0.905 . . . . 74.24 108.713 168.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 148.97 52.71 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.962 1.305 . . . . 72.21 108.303 165.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.2 m -141.55 125.38 17.03 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.213 1.405 . . . . 72.14 107.875 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.5 mmt -120.95 113.46 20.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.042 1.337 . . . . 62.25 108.165 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 98.2 m -110.7 106.29 15.45 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.29 1.036 . . . . 72.1 109.461 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.9 tp -110.63 88.88 2.88 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.452 1.501 . . . . 64.34 108.266 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.8 -113.6 5.75 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 124.535 1.147 . . . . 74.52 110.771 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.46 0.78 28.06 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.365 2.266 . . . . 65.24 114.595 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 27.6 mm -109.76 141.51 24.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.593 1.157 . . . . 63.52 109.336 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.66 83.91 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 124.399 1.08 . . . . 43.32 108.701 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -72.86 142.65 47.96 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.816 1.246 . . . . 72.25 110.293 172.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -147.0 137.16 23.41 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.047 0.842 . . . . 73.41 108.84 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -129.84 153.93 47.77 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 125.306 1.442 . . . . 63.42 111.543 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.95 137.26 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 125.717 1.607 . . . . 61.45 107.327 170.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 m -136.65 154.35 50.66 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.384 1.874 . . . . 34.43 108.824 173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -143.64 135.66 26.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.998 0.919 . . . . 71.15 109.312 -172.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -62.62 131.09 47.86 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 125.448 1.499 . . . . 73.33 113.542 -173.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 8' ' ' GLN . 17.8 pt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 124.97 2.319 . . . . 70.3 107.066 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 . . . . . 0 N--CA 1.501 2.099 0 CA-C-O 118.021 -0.99 . . . . 73.55 109.089 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.35 -34.3 28.53 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 113.277 0.843 . . . . 73.41 113.277 -167.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -70.87 -14.79 62.52 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.15 1.167 . . . . 62.12 114.15 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -73.34 -28.38 62.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.804 1.242 . . . . 64.34 112.211 170.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -78.72 81.75 5.0 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.236 1.414 . . . . 62.32 110.404 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -91.42 17.39 8.59 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.073 1.349 . . . . 73.1 111.079 163.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 22.8 m -64.17 102.68 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 126.777 2.031 . . . . 42.51 111.142 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -113.83 31.47 6.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.411 1.484 . . . . 75.2 111.701 -172.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm -120.34 47.59 1.74 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.518 1.527 . . . . 75.43 109.791 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -90.49 133.65 34.9 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.259 1.424 . . . . 73.21 109.643 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -63.71 -21.04 66.19 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.272 1.582 . . . . 74.3 115.272 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.5 p -59.85 133.3 55.97 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.595 1.558 . . . . 73.43 114.004 -175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.24 -175.15 31.8 Favored Glycine 0 CA--C 1.539 1.566 0 N-CA-C 109.841 -1.304 . . . . 62.3 109.841 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -124.6 139.34 53.96 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.452 1.501 . . . . 72.05 109.057 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -143.88 123.64 13.4 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.264 1.426 . . . . 73.55 110.054 -167.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.45 139.97 34.91 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.7 0.682 . . . . 63.23 109.347 168.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.11 124.83 21.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.346 1.858 . . . . 73.22 110.81 168.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -95.7 -44.58 7.39 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.289 1.436 . . . . 70.53 111.047 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -160.87 162.84 32.28 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.853 1.261 . . . . 65.41 110.952 -171.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -154.17 152.75 30.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.748 1.219 . . . . 74.31 110.567 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -136.28 143.39 44.19 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.349 1.46 . . . . 45.34 110.537 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 58.64 31.33 20.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.456 2.303 . . . . 73.35 112.46 -173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.67 -48.68 80.7 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 125.948 1.699 . . . . 63.43 112.911 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.83 -32.8 69.96 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 124.462 1.101 . . . . 73.44 113.439 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -38.72 79.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.032 0.933 . . . . 65.25 112.838 173.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -78.26 -44.33 25.79 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.531 1.532 . . . . 65.33 113.351 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -25.6 62.34 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.38 1.05 . . . . 65.41 112.344 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -74.25 -39.34 63.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.479 1.112 . . . . 62.15 111.829 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.01 73.36 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.458 1.281 . . . . 42.34 114.458 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.8 pt -79.58 -12.66 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 N-CA-C 113.81 1.041 . . . . 75.12 113.81 173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.17 22.75 36.96 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-O 118.295 -1.281 . . . . 70.33 113.072 175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.64 138.97 85.98 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 119.343 1.572 . . . . 73.21 108.527 164.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -65.03 145.47 85.27 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.026 1.817 . . . . 71.41 111.977 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -50.85 -30.01 13.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.417 1.887 . . . . 74.13 114.55 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.8 -50.44 73.24 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.365 1.866 . . . . 65.14 112.888 172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.0 -23.76 63.19 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.647 1.579 . . . . 72.24 112.947 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.9 mt -73.3 -51.41 25.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 123.925 0.89 . . . . 71.25 110.758 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -66.45 -24.81 66.49 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.318 1.229 . . . . 72.51 114.318 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -79.42 -50.46 10.78 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 74.44 111.823 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.38 -19.17 75.86 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.264 1.412 . . . . 50.4 114.381 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -67.79 -33.94 75.81 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.882 1.341 . . . . 75.03 112.982 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -85.8 -39.29 17.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.463 1.505 . . . . 72.31 110.395 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG21 ' H ' ' A' ' 55' ' ' GLY . 25.5 mm -66.15 105.66 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.508 1.123 . . . . 62.22 110.149 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 113.0 5.89 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.355 1.034 . . . . 74.41 109.136 168.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.03 171.44 48.27 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 124.169 0.918 . . . . 45.33 111.442 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.78 124.82 54.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.164 -1.421 . . . . 70.34 107.164 169.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -105.3 143.91 32.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.67 1.588 . . . . 54.13 108.614 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.28 133.34 31.11 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.682 -1.229 . . . . 74.12 107.682 175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.08 147.76 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 O-C-N 124.605 1.191 . . . . 75.4 108.234 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.44 149.62 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.358 1.463 . . . . 72.01 107.502 173.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -135.53 98.35 3.92 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.404 1.082 . . . . 74.4 108.613 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -103.39 73.81 1.23 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.271 1.828 . . . . 74.22 108.232 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 -119.35 7.31 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 108.813 -1.715 . . . . 72.11 108.813 -177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -78.26 -25.04 46.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.225 1.01 . . . . 73.11 112.606 174.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -73.1 140.33 47.08 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 123.159 0.584 . . . . 54.34 111.267 174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.56 141.57 51.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 126.209 1.804 . . . . 75.23 109.481 173.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -112.16 144.82 40.91 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.354 -1.35 . . . . 74.12 107.354 164.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -138.9 89.64 2.38 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.737 1.615 . . . . 74.03 107.614 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 79.1 m -85.27 128.66 34.77 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.946 0.898 . . . . 73.11 108.726 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.28 115.19 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.152 -1.055 . . . . 71.24 108.152 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -101.04 131.85 46.73 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.22 1.008 . . . . 74.21 108.952 171.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -173.53 137.88 0.66 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.468 1.507 . . . . 71.34 108.563 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 66.91 37.41 92.17 Favored Glycine 0 CA--C 1.539 1.579 0 O-C-N 124.115 0.885 . . . . 72.42 111.752 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m 75.67 -34.91 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 129.208 3.003 . . . . 74.02 114.981 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 162.2 24.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.869 1.268 . . . . 75.24 112.608 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -124.7 125.02 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 124.74 1.275 . . . . 55.31 109.385 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 mt -93.39 143.26 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.404 1.882 . . . . 72.32 107.344 168.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -135.4 93.08 2.92 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.801 0.84 . . . . 73.31 109.623 171.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -74.31 137.23 42.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.442 1.097 . . . . 52.35 109.923 168.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.42 126.53 29.73 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.794 1.638 . . . . 44.03 107.23 174.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -159.23 159.08 33.76 Favored 'General case' 0 C--N 1.341 0.196 0 O-C-N 124.315 1.01 . . . . 73.04 112.017 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 m -120.72 124.3 44.81 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.697 1.199 . . . . 74.33 108.333 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.5 134.46 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 124.119 0.887 . . . . 74.41 111.738 -176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.33 -12.76 61.8 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.182 1.373 . . . . 74.31 112.497 -173.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -111.48 160.14 17.41 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.566 1.546 . . . . 65.44 109.938 173.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.2 131.69 36.28 Favored 'General case' 0 C--N 1.345 0.388 0 O-C-N 123.867 0.73 . . . . 71.35 109.703 169.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 35.0 m -143.21 175.28 10.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.14 1.776 . . . . 73.13 108.137 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -115.86 109.34 17.49 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.871 0.468 . . . . 74.34 110.363 -169.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.28 129.52 35.01 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.063 1.345 . . . . 65.33 110.744 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -70.99 153.36 42.7 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 125.089 1.493 . . . . 64.43 110.764 161.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -116.44 173.55 6.55 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.647 1.179 . . . . 65.2 111.002 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 81.5 mmm -58.97 -28.94 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.467 1.507 . . . . 72.21 114.075 172.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.0 p -90.31 -2.33 57.99 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.381 1.472 . . . . 54.03 113.433 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.04 19.74 66.61 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 119.163 -0.799 . . . . 72.11 112.469 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.25 164.64 15.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.654 1.581 . . . . 51.14 109.198 171.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -133.62 138.58 46.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.072 0.949 . . . . 73.24 110.722 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 143.55 19.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 52.22 110.964 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -79.73 140.29 37.01 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.979 1.312 . . . . 64.23 112.411 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.7 t -167.27 150.34 6.29 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.112 1.365 . . . . 74.41 111.288 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.3 t -97.16 109.81 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.303 1.041 . . . . 71.31 108.661 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -81.92 146.5 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 123.855 0.722 . . . . 75.24 109.662 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -120.31 159.61 24.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.404 1.482 . . . . 72.33 110.541 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 91' ' ' LEU . 1.2 tt -136.53 129.21 30.59 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.119 1.368 . . . . 74.15 108.835 175.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -89.81 171.52 9.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.042 1.337 . . . . 65.14 111.377 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.24 0.4 87.66 Favored Glycine 0 CA--C 1.543 1.811 0 CA-C-O 118.526 -1.152 . . . . 74.23 113.038 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -114.1 40.0 2.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.096 1.759 . . . . 70.11 111.678 -173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.324 0.3 OUTLIER 50.62 44.0 27.52 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.112 2.165 . . . . 53.43 114.142 177.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -132.41 146.12 51.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.679 1.592 . . . . 75.42 110.761 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' CD2' HD12 ' A' ' 85' ' ' LEU . 26.1 mt -113.96 152.89 30.21 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.016 1.727 . . . . 64.04 108.639 169.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.7 t -144.87 139.25 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 124.312 1.045 . . . . 62.55 109.623 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.9 t -163.84 171.38 15.53 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.972 1.309 . . . . 74.54 110.932 175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.1 m -141.64 140.03 33.17 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.146 1.378 . . . . 73.45 109.948 171.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.43 125.25 6.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.113 1.365 . . . . 64.14 109.723 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt 56.36 35.78 26.43 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.547 1.539 . . . . 73.3 114.01 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.5 t30 70.53 0.26 3.18 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.962 2.105 . . . . 72.01 114.195 -171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.79 101.32 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 N-CA-C 107.374 -1.343 . . . . 73.41 107.374 174.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 146.63 54.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.708 1.203 . . . . 61.23 108.707 164.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.6 t -137.79 140.97 40.86 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.156 0.982 . . . . 34.33 109.255 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.9 t -138.21 118.88 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 125.025 1.453 . . . . 74.23 107.414 171.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.5 m -99.76 147.8 25.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.253 0.971 . . . . 45.21 108.629 168.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -143.71 117.95 9.58 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.537 0.735 . . . . 63.03 110.184 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 tp -81.65 129.08 34.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.752 1.621 . . . . 52.4 109.565 170.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -132.08 73.25 1.52 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.355 1.862 . . . . 62.45 106.931 174.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.62 -112.15 4.67 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 110.051 -1.219 . . . . 44.23 110.051 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.1 -2.29 43.8 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.456 1.502 . . . . 73.33 114.191 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.1 mp -108.79 144.98 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 125.062 1.345 . . . . 74.42 109.522 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.07 118.09 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.019 1.327 . . . . 74.32 107.601 167.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -93.83 141.83 28.06 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.801 -0.814 . . . . 74.24 108.801 167.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -131.93 101.73 5.55 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.888 1.675 . . . . 72.21 107.814 174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.8 m -100.64 142.44 32.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.865 1.266 . . . . 72.14 109.735 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.8 mmt -127.67 154.22 45.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.919 1.287 . . . . 62.25 109.784 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.0 m -137.6 121.63 17.83 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.365 0.666 . . . . 72.1 109.855 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.7 tt -127.64 102.29 6.77 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 106.781 -1.562 . . . . 64.34 106.781 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.67 -120.71 13.24 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 109.403 -1.479 . . . . 74.52 109.403 -177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -84.42 -19.26 33.77 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.989 1.316 . . . . 65.24 112.432 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.1 mm -73.21 130.81 35.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 123.838 0.855 . . . . 63.52 110.026 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.5 t -123.03 94.33 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 107.69 -1.226 . . . . 43.32 107.69 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -83.19 150.35 26.27 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.201 1.4 . . . . 72.25 111.745 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -141.29 149.86 41.8 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 124.059 0.849 . . . . 73.41 109.387 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 37.0 mtm105 -135.4 148.34 49.32 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.464 1.905 . . . . 63.42 108.337 164.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.0 mp -124.06 135.5 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 106.368 -1.715 . . . . 61.45 106.368 168.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.3 m -128.87 156.04 44.29 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.952 1.701 . . . . 34.43 108.27 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -143.49 146.73 33.63 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.758 0.823 . . . . 71.15 109.836 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -56.78 138.07 53.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.233 2.213 . . . . 73.33 114.452 -168.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 43.6 pt . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 125.463 2.554 . . . . 70.3 107.073 176.377 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 . . . . . 0 N--CA 1.5 2.053 0 N-CA-C 103.824 -2.658 . . . . 73.55 103.824 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.42 144.05 49.27 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.589 1.955 . . . . 73.41 108.408 175.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -122.34 139.56 53.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.27 1.428 . . . . 62.12 108.64 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -143.28 -32.56 0.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.327 1.017 . . . . 64.34 112.674 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -74.37 166.24 23.83 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.685 0.994 . . . . 62.32 113.685 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -130.83 14.84 5.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.812 1.645 . . . . 73.1 112.013 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 28.6 m -86.14 156.59 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.143 1.377 . . . . 42.51 111.219 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -136.35 46.57 2.26 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.511 1.125 . . . . 75.2 112.131 -173.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm -132.06 38.07 3.54 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.709 1.204 . . . . 75.43 111.088 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -93.99 138.0 32.58 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.022 0.929 . . . . 73.21 109.52 170.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.55 -17.88 64.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.599 1.56 . . . . 74.3 114.312 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 76.7 p -59.17 131.11 50.05 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.005 1.322 . . . . 73.43 113.087 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.86 -176.03 31.16 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.265 -1.134 . . . . 62.3 110.265 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -132.04 133.9 44.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.345 1.458 . . . . 72.05 108.61 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -137.8 118.63 14.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.541 1.136 . . . . 73.55 110.654 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -76.91 141.3 40.58 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.363 0.665 . . . . 63.23 110.42 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.76 128.25 36.0 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.941 1.696 . . . . 73.22 111.772 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -107.33 -48.7 3.4 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.804 1.242 . . . . 70.53 110.498 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -159.22 164.45 35.03 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.35 1.06 . . . . 65.41 110.199 -174.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -162.8 140.16 7.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.483 1.513 . . . . 74.31 109.331 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -108.1 137.78 45.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.901 1.28 . . . . 45.34 108.044 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.11 37.66 28.66 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.722 2.009 . . . . 73.35 113.759 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.71 -53.42 58.17 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.124 0.97 . . . . 63.43 113.555 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.75 -30.64 71.33 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.526 1.141 . . . . 73.44 113.493 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.0 -39.11 61.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.783 1.233 . . . . 65.25 112.988 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -74.96 -40.33 60.81 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.929 1.292 . . . . 65.33 113.339 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.519 ' SD ' HD22 ' A' ' 24' ' ' LEU . 6.2 tpp -71.3 -27.14 63.2 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.739 1.216 . . . . 65.41 112.213 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -71.7 -43.41 65.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.015 1.326 . . . . 62.15 111.679 167.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.31 78.04 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.569 1.322 . . . . 42.34 114.569 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.444 HD11 ' SD ' ' A' ' 19' ' ' MET . 40.0 pt -79.53 -14.02 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 113.239 0.829 . . . . 75.12 113.239 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.49 17.8 30.13 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-O 117.759 -1.578 . . . . 70.33 113.747 169.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD22 ' SD ' ' A' ' 19' ' ' MET . 3.1 mp -67.37 140.77 95.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 120.098 1.949 . . . . 73.21 110.153 169.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -64.17 142.12 78.89 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.47 2.113 . . . . 71.41 111.602 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.51 -23.86 64.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.188 1.181 . . . . 74.13 114.188 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.84 -38.1 86.93 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.347 0.869 . . . . 65.14 113.347 172.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.63 -23.72 58.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.726 1.21 . . . . 72.24 112.761 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.74 -49.7 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.039 0.936 . . . . 71.25 111.06 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -69.17 -23.44 63.94 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.659 1.184 . . . . 72.51 114.109 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -91.38 -31.34 16.08 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.261 1.024 . . . . 74.44 111.81 173.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.2 -23.77 62.68 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.681 -1.066 . . . . 50.4 112.875 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -72.1 -32.4 66.95 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.707 1.253 . . . . 75.03 112.374 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.57 -48.24 17.44 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.665 1.586 . . . . 72.31 110.956 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.5 mm -65.03 118.58 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 124.845 1.258 . . . . 62.22 110.967 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -66.13 104.94 1.25 Allowed 'General case' 0 C--N 1.344 0.369 0 O-C-N 124.817 1.323 . . . . 74.41 110.041 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.43 160.6 54.09 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 124.717 1.261 . . . . 45.33 111.005 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.1 t -136.23 126.89 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 107.656 -1.239 . . . . 70.34 107.656 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 m -101.4 158.75 15.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.453 1.501 . . . . 54.13 109.278 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.59 136.89 18.66 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.405 1.482 . . . . 74.12 107.178 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -129.25 143.75 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.855 -1.535 . . . . 75.4 106.855 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -128.43 135.12 63.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 106.53 -1.655 . . . . 72.01 106.53 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -122.72 122.2 38.18 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.157 -1.053 . . . . 74.4 108.157 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -127.16 73.5 1.43 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.159 1.783 . . . . 74.22 107.368 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 -119.41 7.93 Favored Glycine 0 C--N 1.345 1.039 0 N-CA-C 109.416 -1.473 . . . . 72.11 109.416 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -72.42 -30.34 64.54 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.505 1.122 . . . . 73.11 112.63 175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -75.59 144.0 42.04 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.968 0.792 . . . . 54.34 111.773 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -132.12 148.75 52.5 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 126.739 2.016 . . . . 75.23 109.676 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -126.51 140.73 52.23 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.097 -1.446 . . . . 74.12 107.097 164.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.01 121.61 32.14 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.278 1.431 . . . . 74.03 108.17 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.2 m -124.8 127.76 47.68 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.192 1.397 . . . . 73.11 107.982 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.15 125.65 48.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.245 -1.021 . . . . 71.24 108.245 -174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -120.95 127.0 51.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.753 1.221 . . . . 74.21 108.688 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.35 1.66 Allowed 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.443 1.097 . . . . 71.34 108.511 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.87 22.92 67.92 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 118.788 -1.007 . . . . 72.42 112.078 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t 77.01 -26.77 0.18 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.726 2.81 . . . . 74.02 114.531 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.78 143.09 51.31 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.372 1.069 . . . . 75.24 110.732 170.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.5 t -121.92 134.72 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 124.776 1.298 . . . . 55.31 108.981 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.06 134.3 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 106.612 -1.625 . . . . 72.32 106.612 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.58 136.76 50.19 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 124.172 0.92 . . . . 73.31 110.554 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -128.37 149.61 50.45 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.77 2.028 . . . . 52.35 108.659 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -134.41 143.27 47.49 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.752 1.221 . . . . 44.03 109.113 167.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 40.6 p90 -158.04 161.54 38.06 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 124.567 1.167 . . . . 73.04 111.407 171.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -123.66 127.14 47.79 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.125 -1.435 . . . . 74.33 107.125 171.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.69 139.53 20.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 123.974 0.796 . . . . 74.41 112.377 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.3 -2.07 87.68 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.637 1.589 . . . . 74.31 112.381 -172.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -131.8 156.72 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.576 1.55 . . . . 65.44 110.527 -174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.97 128.48 35.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.551 1.14 . . . . 71.35 110.697 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 63.6 m -142.76 159.89 41.38 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.495 1.518 . . . . 73.13 109.602 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.18 114.74 27.36 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.479 0.711 . . . . 74.34 110.8 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 81' ' ' THR . 11.1 mp -101.51 134.76 44.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.491 1.516 . . . . 65.33 109.648 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.66 169.69 15.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.269 1.427 . . . . 64.43 110.934 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -133.74 172.7 12.41 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.026 1.33 . . . . 65.2 110.971 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 66.2 mmm -63.22 -28.41 70.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.39 1.476 . . . . 72.21 113.636 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.9 p -82.66 -24.52 33.7 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.393 1.477 . . . . 54.03 112.815 176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.15 1.64 41.61 Favored Glycine 0 CA--C 1.537 1.446 0 CA-C-O 117.934 -1.481 . . . . 72.11 112.88 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.2 152.38 45.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.786 1.793 . . . . 51.14 110.966 167.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -122.74 138.71 54.54 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.736 1.272 . . . . 73.24 109.092 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.21 143.41 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 124.48 1.112 . . . . 52.22 110.457 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -73.45 136.13 44.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.616 1.166 . . . . 64.23 111.071 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 HD13 ' A' ' 71' ' ' LEU . 5.2 t -163.5 141.63 7.76 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 124.453 1.096 . . . . 74.41 110.743 -174.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -87.38 140.98 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.307 1.043 . . . . 71.31 109.655 173.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 32.8 t -117.45 141.49 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 124.448 1.093 . . . . 75.24 108.737 172.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -114.77 165.25 13.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.987 1.715 . . . . 72.33 109.409 174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -136.79 115.2 11.82 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.99 -1.115 . . . . 74.15 107.99 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -79.95 145.54 32.56 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.683 1.239 . . . . 65.14 109.461 168.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.32 -13.12 48.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 125.509 1.528 . . . . 74.23 114.106 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -76.47 24.56 0.14 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.1 2.16 . . . . 70.11 113.019 171.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.283 0.6 OUTLIER 52.87 43.63 31.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 129.503 3.121 . . . . 53.43 113.882 -175.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -124.84 107.5 10.97 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.755 1.222 . . . . 75.42 109.642 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.32 140.66 55.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.075 0.95 . . . . 64.04 109.312 161.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -141.1 131.25 26.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 124.175 0.922 . . . . 62.55 109.357 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -157.2 169.42 24.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.968 1.307 . . . . 74.54 111.013 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.6 p -146.6 119.59 8.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.087 1.355 . . . . 73.45 109.44 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -134.41 124.99 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.699 1.2 . . . . 64.14 108.754 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt 55.44 38.06 29.75 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.221 1.809 . . . . 73.3 114.23 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 t30 71.8 -7.16 1.3 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.54 1.936 . . . . 72.01 114.027 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.3 mt -77.75 109.15 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.713 -1.217 . . . . 73.41 107.713 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.41 34.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.71 1.604 . . . . 61.23 109.316 168.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -144.11 128.93 18.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.57 -0.9 . . . . 34.33 108.57 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.84 135.3 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.573 -1.64 . . . . 74.23 106.573 168.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 m -125.56 131.85 52.67 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 124.386 1.054 . . . . 45.21 108.596 169.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -134.8 129.2 34.18 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 124.198 0.936 . . . . 63.03 111.458 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.3 tp -97.33 94.08 6.87 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.495 1.918 . . . . 52.4 110.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.77 74.33 7.48 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.238 1.015 . . . . 62.45 109.056 172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.1 -92.25 0.74 Allowed Glycine 0 C--N 1.346 1.12 0 N-CA-C 109.7 -1.36 . . . . 44.23 109.7 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.08 -1.44 13.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.64 1.976 . . . . 73.33 112.49 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.7 mm -109.17 128.88 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 124.302 1.041 . . . . 74.42 108.403 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 49.4 mm -103.96 116.63 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.467 1.107 . . . . 74.32 109.168 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.4 m -94.51 134.25 37.24 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 124.503 1.127 . . . . 74.24 107.966 164.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -114.78 137.52 51.84 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.507 -1.664 . . . . 72.21 106.507 161.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.8 m -133.46 114.97 14.22 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.003 -1.48 . . . . 72.14 107.003 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.6 mmm -125.04 125.03 43.2 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 124.804 1.315 . . . . 62.25 108.859 -172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 86.8 m -126.55 118.58 25.16 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.297 0.499 . . . . 72.1 110.73 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.7 tp -120.15 94.7 4.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.35 1.46 . . . . 64.34 107.774 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.95 -126.29 28.9 Favored Glycine 0 CA--C 1.534 1.266 0 N-CA-C 110.057 -1.217 . . . . 74.52 110.057 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.04 -19.3 61.22 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.474 1.51 . . . . 65.24 113.037 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.2 mm -83.77 123.33 38.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.633 0.773 . . . . 63.52 109.847 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.23 94.76 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 107.617 -1.253 . . . . 43.32 107.617 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -80.83 145.91 31.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.697 1.199 . . . . 72.25 110.572 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -136.49 156.19 48.93 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.285 -1.006 . . . . 73.41 108.285 171.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -144.02 130.24 19.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.715 2.006 . . . . 63.42 106.362 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -126.91 119.61 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.264 -1.754 . . . . 61.45 106.264 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.9 m -130.09 153.48 48.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.948 1.299 . . . . 34.43 109.008 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -136.38 138.01 41.14 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.71 1.204 . . . . 71.15 109.922 -173.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -64.19 127.95 33.66 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.051 1.34 . . . . 73.33 113.396 -170.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 103.766 -2.679 . . . . 70.3 103.766 178.61 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 . . . . . 0 N--CA 1.502 2.149 0 N-CA-C 106.561 -1.644 . . . . 73.55 106.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -128.51 -46.25 1.32 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.826 1.25 . . . . 73.41 109.552 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 61.65 -89.65 0.03 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 127.297 2.239 . . . . 62.12 111.682 -173.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -69.68 149.99 47.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.199 0.937 . . . . 64.34 111.404 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -78.71 2.08 20.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.278 1.431 . . . . 62.32 114.497 -168.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -69.22 138.29 53.89 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.71 1.604 . . . . 73.1 110.789 166.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 90.1 t -135.29 137.72 49.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.767 1.227 . . . . 42.51 108.564 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -92.02 178.29 5.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.382 1.473 . . . . 75.2 111.815 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mmm -79.77 46.49 0.78 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.583 1.153 . . . . 75.43 112.401 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -82.7 120.36 25.48 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.212 1.805 . . . . 73.21 108.279 171.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.06 -26.38 67.6 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.577 1.151 . . . . 74.3 113.99 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -54.72 129.3 36.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.722 2.009 . . . . 73.43 114.249 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 153.74 -175.08 32.2 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.104 -1.198 . . . . 62.3 110.104 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -114.01 141.99 46.73 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.226 1.81 . . . . 72.05 108.939 171.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -144.09 113.02 6.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 124.568 1.167 . . . . 73.55 109.203 -175.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.98 137.75 39.21 Favored 'General case' 0 C--N 1.347 0.5 0 C-N-CA 123.093 0.557 . . . . 63.23 110.062 172.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.24 126.94 29.7 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.083 1.753 . . . . 73.22 111.678 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -101.94 -44.73 5.41 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.216 1.806 . . . . 70.53 110.579 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -154.13 164.24 38.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.236 1.414 . . . . 65.41 110.213 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -156.66 155.81 32.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.957 1.303 . . . . 74.31 110.201 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -143.5 142.18 31.05 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.793 1.237 . . . . 45.34 108.077 -166.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 56.64 29.76 16.25 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.768 1.627 . . . . 73.35 112.911 -171.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.61 -57.1 14.45 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 124.291 1.037 . . . . 63.43 113.31 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.73 -39.74 95.04 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.807 1.243 . . . . 73.44 112.735 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.99 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.255 1.422 . . . . 65.25 113.188 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -79.11 -41.18 29.24 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.268 1.027 . . . . 65.33 112.767 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -27.49 67.77 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 124.537 1.148 . . . . 65.41 112.398 177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.81 -46.53 57.86 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.436 1.494 . . . . 62.15 111.616 168.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -32.54 74.18 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.038 1.495 . . . . 42.34 115.038 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 pt -76.22 -17.13 15.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.628 0.973 . . . . 75.12 113.628 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.2 19.34 30.87 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-O 118.267 -1.296 . . . . 70.33 113.075 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.54 139.29 83.73 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 119.466 1.633 . . . . 73.21 109.167 167.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.72 145.11 74.38 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.284 1.989 . . . . 71.41 111.814 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.2 -27.9 37.23 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.697 1.369 . . . . 74.13 114.697 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.78 -46.69 84.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.38 1.472 . . . . 65.14 112.363 172.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.39 -25.0 60.38 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.11 1.364 . . . . 72.24 113.218 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.2 mt -69.71 -52.28 33.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 71.25 110.206 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -70.49 -31.06 68.02 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.315 1.228 . . . . 72.51 114.315 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -85.78 -10.81 54.91 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.081 -0.961 . . . . 74.44 112.857 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.18 -19.9 9.11 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.082 -1.399 . . . . 50.4 112.88 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -64.62 -38.2 90.2 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.467 1.633 . . . . 75.03 113.381 -176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.13 -19.02 44.42 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 72.31 112.86 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -86.33 96.06 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.162 0.985 . . . . 62.22 109.631 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -70.29 124.18 23.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.043 0.937 . . . . 74.41 109.972 167.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.17 -171.75 28.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.722 1.264 . . . . 45.33 111.217 -174.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -129.58 148.8 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.688 1.595 . . . . 70.34 108.397 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 m -128.35 119.91 25.98 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 124.086 0.867 . . . . 54.13 109.891 172.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -78.1 148.07 34.37 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.256 0.973 . . . . 74.12 108.632 160.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -134.2 148.82 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 N-CA-C 106.481 -1.674 . . . . 75.4 106.481 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.06 148.11 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 125.243 1.417 . . . . 72.01 107.624 175.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -136.92 103.62 5.22 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.626 -1.25 . . . . 74.4 107.626 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -110.67 70.81 0.73 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.364 1.866 . . . . 74.22 108.064 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.39 -119.35 7.76 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 109.031 -1.628 . . . . 72.11 109.031 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -74.24 -31.49 62.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 118.059 -0.972 . . . . 73.11 112.612 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -70.36 141.94 52.18 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.749 0.656 . . . . 54.34 111.245 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -129.18 148.53 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.622 1.969 . . . . 75.23 108.799 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -127.13 146.87 50.23 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 107.715 -1.217 . . . . 74.12 107.715 165.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -123.94 142.91 50.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.033 1.333 . . . . 74.03 107.545 162.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.8 m -126.16 125.76 43.0 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 105.338 -2.097 . . . . 73.11 105.338 162.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.47 105.63 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.349 -1.723 . . . . 71.24 106.349 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -116.96 117.83 30.75 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.27 1.028 . . . . 74.21 109.967 -172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.18 146.28 8.94 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.919 1.288 . . . . 71.34 109.084 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.05 25.15 75.98 Favored Glycine 0 CA--C 1.54 1.644 0 CA-C-O 118.871 -0.961 . . . . 72.42 113.378 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.4 t 66.58 37.62 4.41 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.891 2.076 . . . . 74.02 113.282 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 151.76 35.64 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.025 1.33 . . . . 75.24 109.142 172.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -121.17 117.97 54.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 124.795 1.309 . . . . 55.31 108.408 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -94.45 144.22 10.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 N-CA-C 107.39 -1.337 . . . . 72.32 107.39 166.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -131.66 140.5 49.36 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.624 0.578 . . . . 73.31 110.922 167.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -118.05 139.8 50.69 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 124.434 1.084 . . . . 52.35 108.219 169.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -132.19 117.94 18.91 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 106.673 -1.603 . . . . 44.03 106.673 174.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.446 ' CE2' HG11 ' A' ' 83' ' ' VAL . 53.6 p90 -149.44 166.06 30.25 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 124.667 1.229 . . . . 73.04 111.181 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 m -129.48 123.79 32.4 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.686 -1.227 . . . . 74.33 107.686 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.97 122.76 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 O-C-N 124.118 0.886 . . . . 74.41 111.596 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.12 -6.07 59.62 Favored Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.328 1.442 . . . . 74.31 112.638 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -122.1 154.69 37.03 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.568 1.684 . . . . 65.44 110.479 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -78.67 129.71 35.03 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 124.087 0.867 . . . . 71.35 109.63 169.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.5 m -130.62 -164.22 1.4 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.655 1.582 . . . . 73.13 107.685 173.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -127.18 123.97 37.9 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.769 -0.826 . . . . 74.34 108.769 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.07 125.23 50.77 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 125.256 1.423 . . . . 65.33 109.93 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -76.47 162.86 27.48 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.232 1.583 . . . . 64.43 110.754 169.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.4 p -137.36 175.59 9.47 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.148 0.979 . . . . 65.2 110.717 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.8 mmm -51.16 -38.36 51.67 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.23 2.212 . . . . 72.21 114.444 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -78.57 -15.97 57.95 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.189 1.796 . . . . 54.03 114.043 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.92 7.92 73.52 Favored Glycine 0 CA--C 1.541 1.658 0 CA-C-O 118.687 -1.063 . . . . 72.11 112.545 -175.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.42 148.44 48.35 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 118.953 1.377 . . . . 51.14 110.439 166.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -125.1 137.32 54.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.425 1.09 . . . . 73.24 109.055 172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.48 145.87 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 124.227 0.954 . . . . 52.22 111.261 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -69.36 134.22 48.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.05 1.34 . . . . 64.23 112.195 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 t -169.82 153.61 4.95 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.779 1.3 . . . . 74.41 111.341 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.69 148.31 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 125.792 1.637 . . . . 71.31 110.067 170.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG11 ' CE2' ' A' ' 63' ' ' PHE . 32.5 t -119.05 145.5 25.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.156 -1.054 . . . . 75.24 108.156 168.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -122.0 162.98 20.14 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.649 1.58 . . . . 72.33 110.039 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -141.77 129.14 21.21 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.427 1.091 . . . . 74.15 109.775 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -92.09 171.61 8.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.799 1.64 . . . . 65.14 110.896 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.93 4.49 65.72 Favored Glycine 0 CA--C 1.542 1.772 0 CA-C-O 118.745 -1.031 . . . . 74.23 112.963 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.47 36.02 4.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.568 1.947 . . . . 70.11 112.109 -172.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.331 0.0 OUTLIER 55.83 33.82 22.29 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.463 1.905 . . . . 53.43 114.117 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -128.21 115.54 18.51 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.926 1.291 . . . . 75.42 111.297 -168.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.4 mt -83.33 148.69 27.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.691 1.596 . . . . 64.04 109.428 163.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.6 t -145.48 140.67 22.27 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.137 0.975 . . . . 62.55 109.958 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -154.79 166.07 34.62 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.955 1.702 . . . . 74.54 110.108 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.1 m -139.98 127.51 21.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.863 0.865 . . . . 73.45 110.405 173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -142.13 125.11 16.17 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.595 1.558 . . . . 64.14 109.925 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? 60.07 32.38 20.98 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.498 1.519 . . . . 73.3 113.4 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.5 t30 71.91 -2.2 2.59 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.38 2.272 . . . . 72.01 114.253 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.472 HG12 HD12 ' A' ' 115' ' ' LEU . 16.7 mt -84.27 96.97 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 107.367 -1.346 . . . . 73.41 107.367 171.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -66.79 139.3 57.78 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.208 -1.034 . . . . 61.23 108.208 163.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.1 t -135.44 143.1 45.73 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.242 1.017 . . . . 34.33 109.176 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.39 133.35 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.835 1.654 . . . . 74.23 107.002 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -117.45 122.8 44.75 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 108.268 -1.012 . . . . 45.21 108.268 169.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -122.54 104.54 9.43 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.023 1.329 . . . . 63.03 109.796 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.15 146.76 45.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.958 1.703 . . . . 52.4 111.058 173.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.48 68.89 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.53 1.932 . . . . 62.45 107.538 -177.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.86 -104.44 1.32 Allowed Glycine 0 CA--C 1.533 1.21 0 N-CA-C 109.776 -1.329 . . . . 44.23 109.776 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.95 -1.18 57.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.893 1.677 . . . . 73.33 113.243 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mm -112.1 145.93 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 124.199 1.0 . . . . 74.42 109.246 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.9 mm -126.13 119.73 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.974 1.31 . . . . 74.32 107.579 168.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -91.66 137.12 32.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 107.739 -1.208 . . . . 74.24 107.739 162.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.26 126.38 50.45 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 106.271 -1.751 . . . . 72.21 106.271 165.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.7 m -122.71 142.28 50.87 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.142 -1.058 . . . . 72.14 108.142 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.7 mtt -131.85 153.5 50.12 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.919 0.888 . . . . 62.25 110.013 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 55.3 m -138.5 115.2 10.66 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.407 1.083 . . . . 72.1 109.333 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.472 HD12 HG12 ' A' ' 98' ' ' ILE . 2.0 tt -121.19 103.63 9.14 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 105.699 -1.963 . . . . 64.34 105.699 171.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.8 -122.81 23.09 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 109.56 -1.416 . . . . 74.52 109.56 -176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -84.42 -21.94 30.57 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.966 1.307 . . . . 65.24 112.513 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.403 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.9 mp -75.31 114.82 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.463 0.705 . . . . 63.52 109.974 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 67.5 t -108.81 85.41 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 O-C-N 124.615 1.197 . . . . 43.32 108.569 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -66.37 147.65 52.99 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.951 1.3 . . . . 72.25 112.331 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -144.39 155.74 43.91 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.078 0.861 . . . . 73.41 109.935 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -144.64 148.34 34.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 127.546 2.338 . . . . 63.42 108.165 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.87 128.99 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 105.195 -2.15 . . . . 61.45 105.195 166.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -128.18 153.8 46.49 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.025 1.73 . . . . 34.43 108.171 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -142.03 143.67 33.25 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.678 0.791 . . . . 71.15 110.273 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -56.16 132.93 51.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.938 2.095 . . . . 73.33 114.393 -167.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 47.3 pt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 125.505 2.574 . . . . 70.3 107.056 173.736 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 . . . . . 0 N--CA 1.5 2.05 0 N-CA-C 107.045 -1.465 . . . . 73.55 107.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 62.36 -151.98 0.36 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.092 1.357 . . . . 73.41 110.11 -162.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 32.5 m80 37.93 85.51 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.933 2.493 . . . . 62.12 116.052 160.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . 0.283 16.1 p80 52.23 -146.35 0.5 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.318 1.847 . . . . 64.34 113.808 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -73.26 -61.22 1.9 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.426 0.691 . . . . 62.32 111.124 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 56.7 66.95 1.07 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.852 2.061 . . . . 73.1 112.286 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.1 133.09 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 109.021 -0.733 . . . . 42.51 109.021 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -106.31 149.23 27.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.367 1.467 . . . . 75.2 110.116 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.89 40.11 26.16 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.288 1.835 . . . . 75.43 112.678 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -130.17 139.26 50.88 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.816 1.247 . . . . 73.21 109.841 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.489 ' HA ' HD13 ' A' ' 104' ' ' LEU . 77.6 m-85 -61.19 -20.94 63.34 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.066 1.746 . . . . 74.3 114.593 178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 m -55.02 123.54 13.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.648 1.979 . . . . 73.43 113.383 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.09 179.4 31.11 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 110.327 -1.109 . . . . 62.3 110.327 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -118.81 135.95 54.26 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.802 1.641 . . . . 72.05 108.658 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -138.92 116.55 11.39 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.191 1.397 . . . . 73.55 109.707 -168.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HB2' HD13 ' A' ' 127' ' ' ILE . 11.7 tt0 -76.44 141.91 41.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.828 -0.434 . . . . 63.23 109.828 171.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.12 128.62 34.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.204 1.801 . . . . 73.22 111.921 169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.5 -58.51 1.91 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 124.861 1.351 . . . . 70.53 109.369 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -161.44 169.58 21.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.539 1.135 . . . . 65.41 110.191 -177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 pm0 -158.16 149.37 21.06 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.191 1.397 . . . . 74.31 109.865 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.78 142.29 46.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.96 1.304 . . . . 45.34 109.787 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 57.97 39.32 26.63 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.452 2.301 . . . . 73.35 113.161 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.7 -53.16 61.22 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.939 1.296 . . . . 63.43 112.738 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.64 -38.75 92.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.918 1.687 . . . . 73.44 112.408 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.97 88.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.995 1.318 . . . . 65.25 112.9 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.41 -42.79 61.64 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.71 1.204 . . . . 65.33 112.132 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -26.01 62.33 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.578 1.151 . . . . 65.41 112.916 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -73.62 -46.04 49.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.586 1.155 . . . . 62.15 111.309 169.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.67 80.18 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 125.197 1.399 . . . . 42.34 114.379 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 24' ' ' LEU . 50.5 pt -75.24 -16.27 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 N-CA-C 114.024 1.12 . . . . 75.12 114.024 175.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.64 22.26 37.4 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-O 118.503 -1.165 . . . . 70.33 113.12 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 22' ' ' ILE . 2.9 mp -68.54 141.71 93.42 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-N 119.141 1.47 . . . . 73.21 109.036 166.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -62.52 139.06 74.11 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.17 1.914 . . . . 71.41 111.459 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -52.77 -28.1 20.88 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.261 1.424 . . . . 74.13 114.153 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.27 -49.19 78.8 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.798 1.639 . . . . 65.14 112.27 173.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.61 -22.28 65.35 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.998 1.319 . . . . 72.24 113.815 172.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mt -73.88 -55.11 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 CA-C-N 118.822 0.737 . . . . 71.25 110.175 174.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -71.94 -25.46 61.9 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.797 1.036 . . . . 72.51 113.797 -176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -81.6 -35.07 30.54 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.003 0.921 . . . . 74.44 111.466 171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.75 -21.11 64.38 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 118.429 -1.206 . . . . 50.4 113.874 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -68.88 -36.22 77.82 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.014 1.407 . . . . 75.03 112.382 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 -25.6 35.89 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.133 1.373 . . . . 72.31 113.906 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.4 mm -76.13 100.49 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 118.48 0.582 . . . . 62.22 109.508 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 99.89 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.501 1.92 . . . . 74.41 111.188 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 172.65 50.71 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 114.852 -1.067 . . . . 45.33 112.115 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.2 t -137.56 143.93 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 125.208 1.403 . . . . 70.34 107.655 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 t -115.91 147.52 41.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.327 1.451 . . . . 54.13 108.708 169.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -140.46 112.43 7.64 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.659 -1.238 . . . . 74.12 107.659 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mt -111.24 146.88 15.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.029 -1.1 . . . . 75.4 108.029 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.3 104.26 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.917 0.887 . . . . 72.01 108.788 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -83.33 132.95 34.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.539 1.136 . . . . 74.4 109.861 169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -135.8 68.88 1.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.116 1.766 . . . . 74.22 107.748 176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.73 -106.18 1.74 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 109.365 -1.494 . . . . 72.11 109.365 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -37.75 51.1 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.323 1.049 . . . . 73.11 112.625 174.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -74.74 148.15 40.72 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 123.649 0.593 . . . . 54.34 111.812 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.03 115.56 9.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 126.958 2.103 . . . . 75.23 108.804 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -94.1 136.91 33.88 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.802 1.314 . . . . 74.12 107.503 163.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -123.81 139.81 53.6 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.528 1.531 . . . . 74.03 107.658 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.7 m -133.3 142.3 48.41 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.146 -1.427 . . . . 73.11 107.146 173.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -140.97 141.7 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.785 -1.561 . . . . 71.24 106.785 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -137.42 126.47 24.37 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.023 -1.102 . . . . 74.21 108.023 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.3 154.02 10.11 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 71.34 109.892 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.42 -84.18 0.97 Allowed Glycine 0 CA--C 1.531 1.091 0 N-CA-C 110.088 -1.205 . . . . 72.42 110.088 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 84.9 p -163.91 24.74 0.08 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.02 1.728 . . . . 74.02 111.362 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 152.91 40.56 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.385 1.074 . . . . 75.24 110.902 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.37 131.94 62.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 125.048 1.468 . . . . 55.31 109.0 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mt -104.23 141.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 128.025 2.53 . . . . 72.32 108.349 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -139.8 131.03 26.59 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.359 1.037 . . . . 73.31 109.32 166.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -123.34 138.44 54.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.158 1.783 . . . . 52.35 107.291 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -135.0 125.84 27.38 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.359 1.064 . . . . 44.03 108.282 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 83' ' ' VAL . 54.8 p90 -152.57 157.78 41.54 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 124.684 1.24 . . . . 73.04 111.231 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -122.04 126.34 48.27 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.141 -1.429 . . . . 74.33 107.141 172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.21 126.75 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 123.915 0.759 . . . . 74.41 111.978 -169.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 3.87 68.95 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 125.18 1.372 . . . . 74.31 112.644 -171.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -129.03 146.45 51.0 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.273 1.536 . . . . 65.44 110.128 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.88 118.88 18.33 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.014 0.926 . . . . 71.35 110.681 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.28 152.13 44.25 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.336 1.455 . . . . 73.13 109.183 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -90.61 110.43 21.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.484 0.49 . . . . 74.34 111.339 -172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.71 140.34 29.67 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.469 1.508 . . . . 65.33 110.387 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.2 158.26 20.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.215 1.806 . . . . 64.43 111.203 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 p -129.36 162.6 27.64 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.601 1.56 . . . . 65.2 109.945 172.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.8 mmt -53.22 -29.47 32.55 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.107 1.763 . . . . 72.21 115.692 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.1 p -78.25 -8.88 58.88 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.276 1.431 . . . . 54.03 114.065 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.72 81.39 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 118.476 -1.18 . . . . 72.11 112.375 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.8 146.67 52.68 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 119.012 1.406 . . . . 51.14 110.35 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -128.21 137.25 51.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 124.331 1.019 . . . . 73.24 109.763 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.8 m -143.56 140.88 25.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.49 1.116 . . . . 52.22 111.55 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -70.1 137.69 51.36 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.904 1.681 . . . . 64.23 111.179 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -167.59 147.41 5.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.362 1.065 . . . . 74.41 110.582 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.7 t -91.88 114.55 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.532 -0.914 . . . . 71.31 108.532 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 63' ' ' PHE . 41.6 t -85.64 147.19 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 N-CA-C 108.497 -0.927 . . . . 75.24 108.497 168.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -121.03 156.5 32.05 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.427 1.091 . . . . 72.33 110.129 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.0 126.78 52.52 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 124.982 1.426 . . . . 74.15 108.27 169.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -91.79 165.51 13.23 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.892 1.677 . . . . 65.14 110.073 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.31 -1.74 81.98 Favored Glycine 0 CA--C 1.539 1.574 0 CA-C-O 118.32 -1.267 . . . . 74.23 114.675 -172.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.42 51.85 1.06 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.389 1.476 . . . . 70.11 111.271 -172.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.17 41.06 19.13 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.617 2.367 . . . . 53.43 114.297 179.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -133.88 143.97 48.61 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.405 1.482 . . . . 75.42 111.119 -171.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.0 mt -116.11 149.67 38.61 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.648 1.979 . . . . 64.04 108.422 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.9 t -142.08 139.71 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.152 0.981 . . . . 62.55 109.44 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.6 t -155.0 170.26 22.17 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.371 1.468 . . . . 74.54 110.171 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.4 m -140.27 129.02 23.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.07 0.948 . . . . 73.45 109.141 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -140.15 131.88 27.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.981 1.313 . . . . 64.14 108.067 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 49.53 47.9 22.02 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.75 1.62 . . . . 73.3 114.903 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 73.75 -3.57 2.46 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.387 1.875 . . . . 72.01 113.858 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.49 HG12 HD13 ' A' ' 115' ' ' LEU . 3.3 mt -98.79 104.77 16.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 125.457 1.503 . . . . 73.41 108.473 -175.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.77 127.78 33.57 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.803 0.689 . . . . 61.23 109.412 168.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 t -117.25 140.69 49.23 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.142 1.377 . . . . 34.33 109.602 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.8 t -133.5 135.47 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 106.992 -1.485 . . . . 74.23 106.992 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.8 m -127.02 145.47 50.7 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.137 0.975 . . . . 45.21 108.774 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -146.57 141.14 26.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.499 0.72 . . . . 63.03 111.168 -174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 3' ' ' PHE . 8.5 tp -111.59 94.11 4.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.664 1.986 . . . . 52.4 108.743 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -95.17 78.05 3.5 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.007 0.923 . . . . 62.45 109.007 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.77 -113.73 5.2 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 109.433 -1.467 . . . . 44.23 109.433 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -91.42 0.3 57.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.892 1.677 . . . . 73.33 113.465 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 mm -105.94 136.7 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 124.619 1.168 . . . . 74.42 108.285 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 47.0 mm -111.26 128.11 67.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.296 1.038 . . . . 74.32 108.754 172.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.3 m -105.98 141.72 36.9 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.551 1.157 . . . . 74.24 108.488 167.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.25 147.95 47.71 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.243 1.417 . . . . 72.21 107.636 162.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 88.8 m -136.68 135.4 38.18 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.183 1.393 . . . . 72.14 107.414 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.6 mmt -122.07 144.89 48.64 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.179 1.392 . . . . 62.25 108.178 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.8 m -138.29 89.62 2.4 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.032 0.933 . . . . 72.1 108.582 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.49 HD13 HG12 ' A' ' 98' ' ' ILE . 12.7 tp -101.78 105.35 16.2 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 125.687 1.595 . . . . 64.34 109.256 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.27 -102.75 0.32 Allowed Glycine 0 CA--C 1.536 1.351 0 O-C-N 124.775 1.297 . . . . 74.52 111.685 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -95.15 -11.77 27.58 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.122 1.769 . . . . 65.24 112.751 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.7 mm -101.94 136.71 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.06 1.344 . . . . 63.52 110.315 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.1 t -120.41 94.25 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 124.548 1.139 . . . . 43.32 108.134 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -84.44 146.9 27.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.051 1.341 . . . . 72.25 111.125 173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -145.62 150.36 36.2 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 108.398 -0.964 . . . . 73.41 108.398 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.03 139.8 26.35 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 126.018 1.727 . . . . 63.42 108.675 -169.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mp -133.6 129.29 55.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 107.363 -1.347 . . . . 61.45 107.363 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -133.51 155.37 49.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.669 1.588 . . . . 34.43 108.362 175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -139.68 143.07 36.93 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.598 0.759 . . . . 71.15 110.285 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.3 129.8 43.45 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.974 1.71 . . . . 73.33 114.055 -169.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 8' ' ' GLN . 30.2 pt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 125.378 2.513 . . . . 70.3 107.558 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 N--CA 1.501 2.12 0 N-CA-C 106.833 -1.543 . . . . 73.55 106.833 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' HIS . . . . . . . . . . . . . 7.1 p80 50.26 16.22 0.25 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 129.09 2.956 . . . . 73.41 117.604 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' HIS . . . . . . . . . . . . . 62.5 m80 66.57 153.51 0.08 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.791 2.436 . . . . 62.12 112.829 -165.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -56.8 -49.87 74.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.587 1.555 . . . . 64.34 114.886 -166.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -175.23 -45.96 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.406 1.483 . . . . 62.32 110.246 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -148.83 178.08 8.98 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.008 2.123 . . . . 73.1 108.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' VAL . . . . . . . . . . . . . 34.1 m -55.83 119.47 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.466 1.106 . . . . 42.51 112.684 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -130.88 46.61 2.64 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.634 1.573 . . . . 75.2 109.194 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ptm -153.66 33.08 0.45 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.304 1.442 . . . . 75.43 110.779 -176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.6 p -76.34 144.8 39.94 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.088 0.555 . . . . 73.21 110.445 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' A' ' 41' ' ' ILE . 47.9 m-85 -65.4 -18.45 65.33 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.186 1.18 . . . . 74.3 114.186 175.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.6 m -57.01 138.0 54.94 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.349 1.859 . . . . 73.43 114.377 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.27 -175.04 23.02 Favored Glycine 0 CA--C 1.535 1.341 0 O-C-N 124.281 0.988 . . . . 62.3 110.913 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -109.15 141.12 41.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.627 1.971 . . . . 72.05 108.966 174.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -142.56 106.1 4.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.012 1.325 . . . . 73.55 110.062 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -70.6 141.16 51.78 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.743 0.817 . . . . 63.23 111.16 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 36' ' ' LYS . 64.3 tp -57.27 124.66 19.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.726 1.61 . . . . 73.22 111.308 167.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -98.79 -49.13 4.68 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 124.516 1.135 . . . . 70.53 110.608 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.7 167.52 20.95 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 124.369 1.068 . . . . 65.41 111.07 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -157.99 150.03 22.0 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.512 1.125 . . . . 74.31 110.769 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -129.51 141.56 50.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.747 1.619 . . . . 45.34 109.551 -174.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 58.7 29.3 18.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.153 2.181 . . . . 73.35 112.84 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.21 -52.72 64.39 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 125.56 1.544 . . . . 63.43 111.871 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.99 -35.25 80.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.718 1.261 . . . . 73.44 113.632 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.84 76.15 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.726 1.211 . . . . 65.25 112.791 174.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -76.63 -40.14 50.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.357 1.463 . . . . 65.33 113.333 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -26.84 62.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.5 1.12 . . . . 65.41 112.244 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -72.03 -40.26 68.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.477 1.111 . . . . 62.15 111.581 166.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.58 -22.31 65.38 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.882 1.438 . . . . 42.34 114.882 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 24' ' ' LEU . 44.7 pt -92.44 -11.48 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 124.059 0.944 . . . . 75.12 113.064 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.84 22.43 39.17 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-O 118.137 -1.368 . . . . 70.33 113.961 170.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD13 ' CD1' ' A' ' 22' ' ' ILE . 3.0 mp -67.0 145.72 98.96 Favored Pre-proline 0 CA--C 1.551 0.986 0 CA-C-N 119.625 1.712 . . . . 73.21 110.502 170.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.22 138.14 65.04 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.842 2.361 . . . . 71.41 112.413 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -59.77 -26.42 65.68 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.486 1.662 . . . . 74.13 115.486 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -64.84 -43.0 94.47 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 65.14 112.869 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -71.23 -18.64 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.833 1.253 . . . . 72.24 112.941 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.96 -53.85 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.551 0.741 . . . . 71.25 110.368 168.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.61 -26.19 65.23 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.1 1.519 . . . . 72.51 115.1 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -98.18 -26.04 14.69 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 118.157 -0.925 . . . . 74.44 112.098 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -74.49 -25.72 69.59 Favored Glycine 0 CA--C 1.536 1.356 0 CA-C-O 118.94 -0.922 . . . . 50.4 112.412 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -72.06 -29.47 64.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.226 1.013 . . . . 75.03 112.176 171.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.13 -45.15 20.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.602 1.561 . . . . 72.31 111.257 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.461 HG21 ' H ' ' A' ' 55' ' ' GLY . 9.9 mm -66.26 114.46 3.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.562 1.145 . . . . 62.22 111.227 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HA ' HD23 ' A' ' 9' ' ' LEU . 60.4 mttp -74.65 127.01 32.06 Favored 'General case' 0 C--N 1.344 0.366 0 O-C-N 124.51 1.132 . . . . 74.41 109.855 168.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.07 -174.97 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 125.102 1.501 . . . . 45.33 110.225 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.0 t -136.67 138.79 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.94 1.296 . . . . 70.34 107.768 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -113.21 134.68 54.46 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.757 1.223 . . . . 54.13 108.274 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.75 144.35 41.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 108.574 -0.898 . . . . 74.12 108.574 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.425 HG21 ' HB3' ' A' ' 3' ' ' PHE . 24.3 mt -126.83 143.69 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 106.843 -1.539 . . . . 75.4 106.843 177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 t -140.92 94.53 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.319 -0.993 . . . . 72.01 108.319 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -76.06 122.96 25.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.353 1.061 . . . . 74.4 109.906 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -129.86 67.08 1.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.247 1.819 . . . . 74.22 107.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.59 -121.73 6.92 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 108.685 -1.766 . . . . 72.11 108.685 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -31.38 68.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.031 0.932 . . . . 73.11 112.593 171.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -71.58 150.17 44.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.052 0.941 . . . . 54.34 112.167 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -140.08 141.75 36.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 126.848 2.059 . . . . 75.23 109.157 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -106.41 148.88 27.59 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 124.631 1.207 . . . . 74.12 109.754 153.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -135.57 93.12 2.91 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.67 1.988 . . . . 74.03 107.967 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.6 m -84.66 141.65 30.47 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.099 0.96 . . . . 73.11 109.292 170.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -140.24 115.2 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 107.386 -1.339 . . . . 71.24 107.386 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -111.84 121.54 45.33 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.384 1.074 . . . . 74.21 108.989 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -169.24 136.49 1.79 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.552 1.141 . . . . 71.34 109.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.461 ' H ' HG21 ' A' ' 35' ' ' ILE . . . 77.16 26.78 61.2 Favored Glycine 0 CA--C 1.539 1.544 0 CA-C-O 118.886 -0.952 . . . . 72.42 113.066 174.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.5 m 63.97 40.74 7.04 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.678 1.991 . . . . 74.02 113.433 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.48 150.74 32.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.689 1.596 . . . . 75.24 108.061 171.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -122.4 114.68 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 124.599 1.187 . . . . 55.31 108.625 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -81.0 141.46 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 107.884 -1.154 . . . . 72.32 107.884 164.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -129.4 138.54 51.55 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 124.387 1.054 . . . . 73.31 108.533 160.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -131.8 138.25 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 52.35 107.949 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -122.14 139.99 53.09 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 125.597 1.811 . . . . 44.03 109.193 172.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.445 ' CE1' HG11 ' A' ' 83' ' ' VAL . 38.3 p90 -155.55 163.29 40.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 124.948 1.405 . . . . 73.04 110.614 171.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -133.05 121.99 23.51 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.247 -1.39 . . . . 74.33 107.247 176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -72.15 128.04 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 123.922 0.764 . . . . 74.41 111.824 -171.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.95 1.98 69.64 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.297 -1.28 . . . . 74.31 112.297 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -130.51 153.08 49.2 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 125.633 1.573 . . . . 65.44 110.007 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.18 122.93 29.03 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.715 0.806 . . . . 71.35 110.62 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 99.4 m -138.34 161.36 37.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.089 1.356 . . . . 73.13 110.372 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.1 99.76 9.29 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.294 1.038 . . . . 74.34 110.654 -162.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.27 139.72 30.38 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.849 1.26 . . . . 65.33 111.969 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.86 153.14 25.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.517 1.927 . . . . 64.43 110.349 169.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -115.03 160.66 19.34 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.612 1.565 . . . . 65.2 109.702 168.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.1 mmt -56.64 -22.45 34.41 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 116.359 1.985 . . . . 72.21 116.359 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.8 p -78.98 -23.11 44.71 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.699 1.6 . . . . 54.03 113.685 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.24 6.02 29.87 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.799 1.19 . . . . 72.11 112.986 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 157.77 30.59 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.3 1.55 . . . . 51.14 109.676 172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -132.4 144.21 50.35 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.134 0.974 . . . . 73.24 111.269 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 m -146.81 150.28 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.665 1.186 . . . . 52.22 111.473 175.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.73 146.05 36.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.472 1.509 . . . . 64.23 111.792 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -170.73 142.56 1.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.386 1.474 . . . . 74.41 110.5 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.42 127.74 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 123.497 0.719 . . . . 71.31 109.231 169.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 63' ' ' PHE . 21.7 t -102.12 150.63 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 124.74 1.275 . . . . 75.24 108.331 173.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -130.64 155.62 46.27 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.353 1.061 . . . . 72.33 110.455 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -121.65 133.49 54.97 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 125.105 1.503 . . . . 74.15 108.226 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.05 168.2 9.6 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.961 1.413 . . . . 65.14 110.426 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 1.45 21.23 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.581 1.563 . . . . 74.23 115.893 -170.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -118.37 37.5 4.01 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.655 1.582 . . . . 70.11 112.163 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . 0.334 0.0 OUTLIER 56.74 38.08 29.25 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.675 1.99 . . . . 53.43 113.99 178.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -127.21 134.58 50.09 Favored 'General case' 0 C--N 1.345 0.413 0 C-N-CA 124.614 1.166 . . . . 75.42 111.096 -171.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 mt -105.83 149.52 26.43 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.618 1.567 . . . . 64.04 109.196 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -142.88 135.38 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 62.55 109.361 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -148.3 159.84 43.59 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.886 1.674 . . . . 74.54 110.358 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.2 m -138.27 110.17 7.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.39 0.676 . . . . 73.45 110.809 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -133.14 133.45 42.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.214 1.406 . . . . 64.14 109.848 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt 40.67 63.14 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 127.249 2.22 . . . . 73.3 114.927 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . 0.289 4.3 p30 67.1 -9.07 0.4 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.753 2.421 . . . . 72.01 116.084 -176.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.5 mt -95.41 110.7 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 124.948 1.299 . . . . 73.41 109.29 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -79.94 101.08 8.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.603 1.561 . . . . 61.23 108.016 168.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.4 t -99.1 140.95 32.5 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.485 1.114 . . . . 34.33 110.874 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -133.42 140.8 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 126.434 1.894 . . . . 74.23 107.381 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -128.61 150.7 50.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.061 0.944 . . . . 45.21 108.7 169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -143.82 118.05 9.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.039 0.936 . . . . 63.03 109.557 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -75.73 135.93 40.34 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.768 1.292 . . . . 52.4 108.582 160.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.36 73.16 1.23 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.092 -1.077 . . . . 62.45 108.092 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.8 -100.93 1.37 Allowed Glycine 0 C--N 1.346 1.104 0 N-CA-C 108.715 -1.754 . . . . 44.23 108.715 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -109.61 -6.14 15.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.317 1.847 . . . . 73.33 112.369 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.49 130.11 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.403 1.081 . . . . 74.42 108.452 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 44.9 mm -113.25 115.75 50.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 108.348 -0.982 . . . . 74.32 108.348 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.8 m -96.65 139.27 32.97 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.127 0.892 . . . . 74.24 108.631 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -123.53 137.7 54.71 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 106.979 -1.489 . . . . 72.21 106.979 168.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 59.0 m -134.53 137.64 44.0 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.47 1.108 . . . . 72.14 108.721 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 59.5 mtt -137.5 101.78 4.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.319 1.047 . . . . 62.25 109.906 -175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 99.8 m -85.46 110.65 19.32 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.504 1.122 . . . . 72.1 110.03 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tt -111.46 90.84 3.45 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.886 2.074 . . . . 64.34 107.18 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.78 -102.88 0.81 Allowed Glycine 0 CA--C 1.536 1.38 0 N-CA-C 110.213 -1.155 . . . . 74.52 110.213 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.51 -6.08 19.7 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.455 1.502 . . . . 65.24 112.439 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -92.73 144.01 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.762 1.225 . . . . 63.52 108.721 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.7 t -131.19 93.56 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.905 -0.776 . . . . 43.32 108.905 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -70.89 151.59 44.57 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.418 1.087 . . . . 72.25 111.867 170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -149.62 144.67 26.33 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.632 1.208 . . . . 73.41 108.977 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -122.23 158.14 30.1 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.528 1.131 . . . . 63.42 110.14 161.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.68 127.01 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 105.75 -1.944 . . . . 61.45 105.75 165.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 m -126.69 160.15 31.61 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.734 1.614 . . . . 34.43 108.518 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -146.83 140.01 25.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.611 0.764 . . . . 71.15 110.25 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.21 136.17 57.87 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 126.304 1.841 . . . . 73.33 113.81 -171.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 CA--C 1.515 -0.37 0 N-CA-C 103.301 -2.852 . . . . 70.3 103.301 175.161 . . . . . . . . 0 0 . 1 stop_ save_