==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-AUG-01 1GKX . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.MACHIUS,J.L.CHUANG,R.M.WYNN,D.R.TOMCHICK,D.T.CHUANG . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 1 0 1 1 1 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 38 A V 0 0 80 0, 0.0 9,-0.2 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 42.9 103.9 123.4 67.0 2 39 A R E -A 9 0A 52 7,-1.0 7,-1.4 1,-0.1 2,-0.2 -0.143 360.0-135.2 -69.5 169.9 104.6 121.9 63.6 3 40 A L E +A 8 0A 87 5,-0.2 302,-0.4 7,-0.0 5,-0.2 -0.784 31.1 151.1-129.4 171.4 107.0 123.5 61.1 4 41 A T S S- 0 0 44 3,-1.1 2,-1.7 -2,-0.2 277,-0.1 -0.562 72.0 -15.5-165.5-133.8 107.4 124.4 57.4 5 42 A P S S- 0 0 40 0, 0.0 3,-0.1 0, 0.0 276,-0.0 -0.588 123.8 -52.7 -91.7 87.9 109.4 127.2 55.5 6 43 A T S S+ 0 0 117 -2,-1.7 2,-0.5 1,-0.3 -3,-0.0 0.541 117.8 122.2 53.9 4.1 110.1 129.3 58.6 7 44 A M - 0 0 0 2,-0.0 -3,-1.1 23,-0.0 2,-0.4 -0.820 46.3-165.7 -96.0 149.0 106.5 129.0 59.0 8 45 A M E -A 3 0A 54 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.987 9.6-155.6-129.0 126.3 105.3 127.6 62.3 9 46 A L E -A 2 0A 1 -7,-1.4 -7,-1.0 -2,-0.4 2,-0.2 -0.876 22.0-136.5-100.6 125.2 101.8 126.3 63.1 10 47 A Y - 0 0 68 -2,-0.5 2,-0.3 -9,-0.2 13,-0.0 -0.537 22.0-179.1 -86.8 148.1 101.0 126.4 66.9 11 48 A S + 0 0 46 -2,-0.2 2,-0.3 141,-0.1 140,-0.0 -0.929 30.2 143.8-142.2 110.0 99.3 123.7 68.9 12 49 A G - 0 0 46 -2,-0.3 2,-0.6 -11,-0.0 7,-0.1 -0.846 50.2 -53.1-147.9-176.6 98.8 124.4 72.6 13 50 A R - 0 0 170 -2,-0.3 6,-0.8 1,-0.1 5,-0.4 -0.404 49.2-180.0 -60.1 102.8 97.1 124.5 76.0 14 51 A S + 0 0 71 -2,-0.6 2,-2.9 1,-0.1 4,-0.5 0.577 50.6 84.8 -74.9-127.7 93.6 126.0 75.4 15 52 A Q S S+ 0 0 193 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.351 101.5 42.3 65.9 -73.2 91.4 126.3 78.5 16 53 A D S S- 0 0 125 -2,-2.9 -1,-0.3 -3,-0.2 -2,-0.1 0.760 106.2-128.3 -73.1 -25.6 92.8 129.7 79.5 17 54 A G S S+ 0 0 9 -3,-0.3 3,-0.4 -4,-0.3 4,-0.4 0.647 72.2 129.6 82.7 15.3 92.8 130.8 75.8 18 55 A S >> + 0 0 28 -4,-0.5 4,-1.4 -5,-0.4 3,-0.8 0.790 60.3 63.8 -70.6 -31.2 96.5 131.7 76.4 19 56 A H H 3> S+ 0 0 23 -6,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.770 94.7 61.6 -65.3 -27.7 97.5 129.7 73.3 20 57 A L H 3> S+ 0 0 17 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.738 104.3 47.1 -72.2 -24.3 95.5 132.1 71.1 21 58 A L H <> S+ 0 0 22 -3,-0.8 4,-2.7 -4,-0.4 5,-0.2 0.829 109.4 51.3 -86.2 -35.0 97.6 135.1 72.1 22 59 A K H X S+ 0 0 113 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.829 116.6 43.3 -69.6 -30.0 101.0 133.5 71.7 23 60 A S H X S+ 0 0 6 -4,-1.3 4,-2.9 -5,-0.2 3,-0.3 0.924 114.3 48.9 -78.8 -47.9 99.8 132.5 68.2 24 61 A G H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.910 108.7 52.4 -58.5 -45.3 98.2 135.8 67.4 25 62 A R H X S+ 0 0 86 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.815 112.4 47.8 -62.3 -28.7 101.3 137.8 68.5 26 63 A Y H X S+ 0 0 44 -4,-0.6 4,-2.7 -3,-0.3 3,-0.5 0.925 111.0 48.6 -75.5 -47.2 103.3 135.6 66.1 27 64 A L H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.875 109.6 54.9 -59.1 -37.0 100.9 136.0 63.2 28 65 A Q H < S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.808 111.3 43.4 -67.3 -31.5 101.0 139.7 63.9 29 66 A Q H X S+ 0 0 123 -4,-0.9 4,-0.9 -3,-0.5 -2,-0.2 0.909 117.5 46.0 -77.9 -45.0 104.8 139.8 63.6 30 67 A E H X S+ 0 0 38 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.896 101.0 60.4 -66.7 -49.3 105.0 137.5 60.5 31 68 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.873 103.2 50.9 -51.7 -46.2 102.3 138.9 58.2 32 69 A P H > S+ 0 0 20 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 110.8 49.4 -59.4 -44.3 103.8 142.4 57.8 33 70 A V H X S+ 0 0 71 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.912 113.6 45.1 -62.6 -43.8 107.2 140.9 56.9 34 71 A R H X S+ 0 0 23 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.879 113.7 49.3 -69.6 -37.1 105.8 138.5 54.3 35 72 A I H X S+ 0 0 11 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.917 110.5 52.9 -66.9 -38.8 103.6 141.3 52.8 36 73 A A H X S+ 0 0 30 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.911 104.3 54.2 -62.0 -44.5 106.7 143.5 52.7 37 74 A H H X S+ 0 0 101 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.871 108.7 49.9 -59.0 -36.5 108.8 141.0 50.8 38 75 A R H X S+ 0 0 15 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.892 106.3 54.8 -70.4 -37.4 106.1 140.8 48.2 39 76 A I H X S+ 0 0 15 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.940 106.5 51.2 -60.8 -44.5 106.0 144.6 47.9 40 77 A K H X S+ 0 0 136 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.918 105.6 59.3 -55.5 -40.8 109.7 144.6 47.2 41 78 A G H < S+ 0 0 13 -4,-1.7 4,-0.5 1,-0.2 3,-0.4 0.919 106.0 45.1 -53.8 -48.4 108.8 141.9 44.6 42 79 A F H >< S+ 0 0 6 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.835 109.9 56.4 -66.7 -31.8 106.6 144.4 42.8 43 80 A R H 3< S+ 0 0 182 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 106.9 48.5 -70.4 -26.3 109.2 147.1 43.0 44 81 A S T 3< S+ 0 0 88 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.480 85.0 113.6 -92.8 -3.3 111.8 145.1 41.3 45 82 A L S < S- 0 0 13 -3,-0.6 74,-0.1 -4,-0.5 2,-0.0 -0.326 87.7 -85.2 -63.9 147.7 109.5 144.1 38.4 46 83 A P >> - 0 0 50 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.378 40.8-121.1 -57.5 132.9 110.6 145.5 35.0 47 84 A F H 3> S+ 0 0 170 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.844 110.6 54.3 -41.7 -50.9 109.1 149.1 34.8 48 85 A I H 34 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.915 114.6 41.0 -54.4 -45.9 107.1 148.3 31.6 49 86 A I H X4 S+ 0 0 6 -3,-0.7 3,-1.9 1,-0.2 -2,-0.2 0.958 112.7 52.3 -67.1 -53.8 105.4 145.3 33.3 50 87 A G H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.595 101.9 65.0 -60.5 -9.3 104.9 147.0 36.7 51 88 A C T 3< S+ 0 0 56 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.673 70.2 115.2 -86.6 -21.5 103.2 149.9 34.8 52 89 A N S <> S- 0 0 15 -3,-1.9 4,-3.2 -4,-0.4 5,-0.2 -0.278 73.3-127.9 -50.2 130.1 100.3 147.8 33.6 53 90 A P H > S+ 0 0 100 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.875 106.8 45.8 -49.9 -45.7 97.1 149.2 35.2 54 91 A T H >> S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 3,-0.8 0.976 114.1 46.0 -65.9 -55.1 96.0 145.8 36.5 55 92 A I H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.925 111.9 54.1 -52.5 -43.3 99.4 144.8 37.9 56 93 A L H 3X S+ 0 0 72 -4,-3.2 4,-1.6 1,-0.2 -1,-0.3 0.840 106.0 53.5 -60.3 -32.2 99.6 148.2 39.4 57 94 A H H > S- 0 0 73 -56,-0.0 4,-2.0 1,-0.0 3,-0.7 -0.844 85.1 -91.6-139.3 175.9 94.5 140.7 75.4 78 115 A Q H 3> S+ 0 0 83 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.733 121.0 66.0 -62.1 -21.2 91.9 138.3 73.9 79 116 A A H 3> S+ 0 0 60 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.908 105.0 40.2 -67.6 -43.0 90.0 141.4 73.0 80 117 A D H <> S+ 0 0 41 -3,-0.7 4,-3.0 2,-0.2 5,-0.2 0.933 111.4 57.8 -69.8 -47.0 92.6 142.6 70.5 81 118 A E H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.911 104.8 52.2 -49.5 -47.6 93.2 139.0 69.2 82 119 A A H X S+ 0 0 44 -4,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.911 111.6 44.9 -59.1 -43.8 89.6 138.8 68.3 83 120 A Q H >X S+ 0 0 117 -4,-1.3 4,-1.6 1,-0.2 3,-0.8 0.903 107.9 57.9 -67.6 -40.1 89.6 142.0 66.3 84 121 A Y H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.848 101.0 57.5 -57.6 -34.2 92.9 141.1 64.6 85 122 A C H 3X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.3 0.825 104.1 52.9 -66.4 -30.1 91.1 137.9 63.3 86 123 A Q H X S+ 0 0 19 -4,-1.6 4,-2.4 2,-0.2 3,-0.6 0.984 110.7 49.4 -64.8 -56.7 91.4 142.2 60.0 88 125 A V H 3X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.3 5,-0.2 0.874 109.9 51.5 -49.4 -43.4 93.0 139.0 58.7 89 126 A R H 3X S+ 0 0 99 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.863 108.3 51.7 -65.4 -34.4 89.6 137.8 57.4 90 127 A Q H < S+ 0 0 97 -4,-1.4 3,-1.2 -5,-0.2 -1,-0.2 0.879 109.6 52.1 -75.9 -38.3 88.8 138.3 51.1 94 131 A D H 3< S+ 0 0 70 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.791 114.5 44.0 -66.9 -28.4 90.3 141.5 49.6 95 132 A H T >< S+ 0 0 23 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.074 78.8 110.4-104.3 22.2 93.0 139.4 48.0 96 133 A K T < S+ 0 0 129 -3,-1.2 3,-0.2 1,-0.2 4,-0.2 0.815 85.7 38.1 -66.9 -30.8 90.7 136.6 46.8 97 134 A D T 3> S+ 0 0 78 -3,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.174 80.9 111.6-107.1 18.9 91.2 137.6 43.1 98 135 A V H <> S+ 0 0 0 -3,-1.0 4,-2.7 1,-0.2 5,-0.2 0.953 80.0 47.3 -55.3 -54.4 94.9 138.6 43.2 99 136 A V H > S+ 0 0 39 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.881 112.1 49.7 -56.7 -42.2 95.9 135.6 41.0 100 137 A T H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 111.8 49.3 -64.2 -41.0 93.2 136.2 38.5 101 138 A L H X S+ 0 0 49 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 110.5 50.5 -64.3 -42.0 94.2 139.9 38.3 102 139 A L H X S+ 0 0 0 -4,-2.7 4,-3.7 2,-0.2 5,-0.4 0.956 108.1 51.3 -60.9 -52.6 97.9 139.0 37.8 103 140 A A H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.944 112.4 47.2 -49.1 -53.5 97.2 136.6 35.0 104 141 A E H X S+ 0 0 81 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.914 115.0 47.2 -55.2 -44.7 95.2 139.3 33.3 105 142 A G H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.910 115.0 43.4 -65.4 -44.0 98.0 141.8 33.9 106 143 A L H < S+ 0 0 2 -4,-3.7 -2,-0.2 2,-0.2 -1,-0.2 0.853 109.0 58.1 -71.6 -34.1 100.8 139.6 32.7 107 144 A R H >< S+ 0 0 107 -4,-3.0 3,-1.4 -5,-0.4 4,-0.3 0.921 106.9 48.3 -60.7 -43.3 98.9 138.4 29.7 108 145 A E H 3< S+ 0 0 83 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.776 111.5 51.1 -67.7 -26.3 98.5 142.0 28.6 109 146 A S T 3X S+ 0 0 4 -4,-1.0 4,-0.6 1,-0.2 -1,-0.3 0.121 78.4 105.9 -97.2 20.0 102.3 142.5 29.2 110 147 A R T X4 S+ 0 0 112 -3,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.883 73.8 56.6 -66.5 -40.0 103.2 139.5 27.1 111 148 A K T 34 S+ 0 0 196 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.862 110.2 45.2 -60.4 -35.7 104.5 141.5 24.2 112 149 A H T 34 S+ 0 0 90 -4,-0.1 2,-0.7 -3,-0.1 -1,-0.2 0.549 79.9 120.2 -86.5 -8.8 106.9 143.3 26.5 113 150 A I << + 0 0 22 -3,-0.8 3,-0.1 -4,-0.6 6,-0.1 -0.427 28.1 162.1 -61.7 105.1 108.1 140.2 28.2 114 151 A E + 0 0 173 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.914 62.1 49.9 -89.4 -56.0 111.8 140.2 27.4 115 152 A D - 0 0 90 3,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.749 66.4-161.8 -88.2 125.5 113.1 137.8 30.1 116 153 A E S > S+ 0 0 167 -2,-0.5 4,-0.8 1,-0.1 3,-0.2 0.835 88.0 49.9 -75.1 -33.9 111.2 134.5 30.2 117 154 A K H >> S+ 0 0 139 1,-0.2 2,-3.1 2,-0.2 4,-2.6 0.950 94.3 70.7 -70.3 -51.6 112.4 133.5 33.6 118 155 A L H 34 S+ 0 0 73 1,-0.3 -1,-0.2 2,-0.2 -3,-0.2 -0.327 105.5 39.5 -70.5 67.0 111.7 136.8 35.5 119 156 A V H 3> S+ 0 0 9 -2,-3.1 4,-2.4 -3,-0.2 -1,-0.3 -0.031 110.5 54.9-174.1 -44.3 107.9 136.2 35.3 120 157 A R H S+ 0 0 10 -5,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.900 113.0 44.7 -66.1 -40.5 107.6 136.3 39.9 123 160 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.837 112.9 51.9 -71.5 -33.0 104.5 134.1 39.7 124 161 A D H X S+ 0 0 49 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.984 113.4 43.1 -64.1 -57.0 106.2 131.4 41.7 125 162 A K H X S+ 0 0 125 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.848 116.7 48.1 -57.1 -38.9 107.2 133.8 44.5 126 163 A T H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.926 114.4 43.9 -70.9 -45.2 103.8 135.4 44.5 127 164 A L H X S+ 0 0 2 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.890 117.4 44.8 -68.5 -39.9 101.7 132.3 44.5 128 165 A T H >X S+ 0 0 15 -4,-2.8 4,-3.1 -5,-0.2 3,-1.2 0.969 111.6 49.1 -71.0 -52.0 103.8 130.5 47.2 129 166 A S H 3X S+ 0 0 15 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.895 111.3 54.4 -52.6 -38.0 104.1 133.4 49.6 130 167 A R H 3X S+ 0 0 46 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.3 0.805 108.9 47.0 -64.4 -31.5 100.4 133.7 49.2 131 168 A L H < S+ 0 0 2 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.925 114.2 48.6 -56.7 -46.1 95.3 130.8 63.5 141 178 A L H >< S+ 0 0 28 -4,-2.3 3,-1.8 1,-0.3 4,-0.4 0.909 108.0 55.3 -60.2 -42.0 91.7 131.3 62.7 142 179 A A H >< S+ 0 0 5 -4,-2.5 3,-0.9 1,-0.3 10,-0.5 0.709 90.3 74.2 -64.6 -22.1 91.1 127.6 62.9 143 180 A L T << S+ 0 0 24 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.633 91.6 58.4 -67.4 -11.0 92.4 127.5 66.4 144 181 A H T < S+ 0 0 81 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.733 99.0 68.2 -87.1 -27.2 89.1 129.2 67.4 145 182 A E S < S- 0 0 98 -3,-0.9 7,-0.2 -4,-0.4 0, 0.0 -0.323 73.5-143.5 -84.7 173.2 87.1 126.3 66.0 146 183 A D + 0 0 156 -2,-0.1 -3,-0.1 5,-0.1 5,-0.1 -0.392 29.9 165.5-139.3 61.4 87.0 122.8 67.5 147 184 A K > - 0 0 99 -5,-0.3 3,-1.1 5,-0.1 2,-0.3 -0.381 44.6 -99.9 -74.5 153.4 86.7 120.3 64.7 148 185 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.612 104.7 10.4 -79.2 132.7 87.4 116.6 65.4 149 186 A D T 3 S+ 0 0 69 -2,-0.3 7,-2.7 1,-0.2 8,-0.6 0.618 107.7 108.5 77.4 16.3 90.9 115.4 64.4 150 187 A F E < -B 155 0B 50 -3,-1.1 2,-0.6 5,-0.3 5,-0.2 -0.985 45.7-174.8-131.5 130.5 92.1 119.0 63.7 151 188 A V E > S-B 154 0B 40 3,-2.7 3,-1.3 -2,-0.4 2,-0.6 -0.835 83.1 -52.9-115.4 83.9 94.5 121.2 65.6 152 189 A G T 3 S- 0 0 6 -2,-0.6 -5,-0.1 -10,-0.5 -13,-0.1 -0.730 120.2 -23.6 83.6-121.6 93.9 124.4 63.5 153 190 A I T 3 S+ 0 0 14 -2,-0.6 2,-0.6 -18,-0.1 47,-0.3 0.409 117.0 103.5-101.9 -1.3 94.5 123.3 59.9 154 191 A I E < -B 151 0B 0 -3,-1.3 -3,-2.7 44,-0.2 2,-0.5 -0.725 64.7-148.6 -83.3 117.8 96.6 120.4 60.9 155 192 A C E > -BC 150 197B 13 42,-2.7 42,-2.5 -2,-0.6 3,-0.6 -0.773 1.5-153.7 -86.0 127.8 94.7 117.1 60.6 156 193 A T E 3 S+ 0 0 52 -7,-2.7 -1,-0.1 -2,-0.5 -6,-0.1 0.627 89.7 20.7 -78.0 -13.5 96.0 114.7 63.3 157 194 A R E 3 S+ 0 0 112 -8,-0.6 -1,-0.2 40,-0.1 2,-0.1 -0.316 81.5 177.2-151.0 60.1 95.0 111.6 61.4 158 195 A L E < - C 0 195B 9 37,-2.5 37,-1.8 -3,-0.6 3,-0.1 -0.378 19.8-146.5 -71.2 145.5 94.6 112.4 57.7 159 196 A S > - 0 0 6 35,-0.2 4,-2.6 1,-0.2 5,-0.3 -0.929 3.7-160.4-114.1 106.1 93.8 109.7 55.2 160 197 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.903 96.5 52.7 -51.9 -40.4 95.4 110.3 51.8 161 198 A K H > S+ 0 0 56 32,-0.3 4,-3.1 29,-0.2 5,-0.2 0.941 109.0 49.8 -60.0 -46.6 92.9 107.9 50.4 162 199 A K H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.948 114.6 42.0 -57.6 -53.4 90.0 109.8 51.9 163 200 A I H X S+ 0 0 11 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.899 114.0 52.5 -65.0 -37.6 91.2 113.2 50.6 164 201 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.959 109.2 50.1 -62.1 -46.6 92.1 111.7 47.2 165 202 A E H X S+ 0 0 68 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.912 105.1 57.5 -56.9 -44.0 88.6 110.3 46.9 166 203 A K H X S+ 0 0 107 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.936 112.5 40.3 -51.2 -51.6 87.0 113.6 47.9 167 204 A W H X S+ 0 0 43 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.743 108.1 61.3 -72.8 -23.3 88.7 115.3 44.9 168 205 A V H X S+ 0 0 13 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.957 107.6 45.9 -64.6 -48.6 88.1 112.3 42.6 169 206 A D H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.938 113.7 48.9 -56.5 -50.1 84.4 112.9 43.1 170 207 A F H X S+ 0 0 86 -4,-1.9 4,-1.7 -5,-0.2 3,-0.2 0.967 115.7 43.2 -53.9 -56.4 84.8 116.6 42.6 171 208 A A H X S+ 0 0 2 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.871 109.6 55.9 -60.7 -41.4 86.8 116.0 39.4 172 209 A R H X S+ 0 0 49 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.890 105.9 52.3 -60.8 -38.9 84.6 113.3 38.0 173 210 A R H X S+ 0 0 157 -4,-2.0 4,-2.4 -3,-0.2 5,-0.2 0.951 109.2 47.7 -62.1 -50.6 81.6 115.6 38.1 174 211 A L H X S+ 0 0 89 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.882 114.2 50.7 -57.0 -36.6 83.3 118.4 36.2 175 212 A C H >X S+ 0 0 9 -4,-2.0 4,-2.3 -5,-0.2 3,-0.7 0.937 109.4 46.9 -67.6 -49.6 84.4 115.8 33.7 176 213 A E H 3X S+ 0 0 90 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.892 108.8 54.7 -60.5 -41.9 81.0 114.2 33.1 177 214 A H H 3< S+ 0 0 177 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.743 117.1 39.6 -64.2 -20.4 79.3 117.5 32.7 178 215 A K H << S+ 0 0 116 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.728 134.1 15.1-101.3 -27.0 81.8 118.2 30.0 179 216 A Y H < S- 0 0 48 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.508 97.5-110.6-125.9 -11.8 82.2 114.9 28.2 180 217 A G S < S+ 0 0 63 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.2 0.315 94.8 32.4 95.3 -8.8 79.2 112.8 29.3 181 218 A N - 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