==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-MAR-12 4E00 . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.C.TSO,J.L.CHUANG,W.J.GUI,R.M.WYNN,J.LI,D.T.CHUANG . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 74.4 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 . 3 1.0 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 45.1 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 2 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 2 0 0 0 0 0 2 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 39 A R 0 0 115 0, 0.0 7,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.5 7.5 -23.3 27.3 2 40 A L E -A 7 0A 85 307,-0.4 307,-0.4 5,-0.2 5,-0.2 -0.878 360.0-160.7-142.3 169.4 5.2 -22.0 24.6 3 41 A T E > -A 6 0A 23 3,-2.6 3,-1.6 -2,-0.3 2,-0.2 -0.694 61.7 -36.7-135.5-173.1 4.2 -21.7 20.9 4 42 A P T 3 S- 0 0 38 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.323 121.8 -22.6 -62.9 122.1 2.0 -19.2 19.0 5 43 A T T 3 S+ 0 0 132 -2,-0.2 2,-0.3 1,-0.1 -3,-0.0 0.679 128.7 72.2 56.8 22.3 -1.0 -18.1 21.1 6 44 A M E < -A 3 0A 7 -3,-1.6 -3,-2.6 2,-0.0 2,-0.4 -0.988 66.7-138.6-160.4 157.2 -0.8 -21.2 23.2 7 45 A M E -A 2 0A 76 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.947 7.5-144.2-125.9 142.5 1.3 -22.9 25.9 8 46 A L - 0 0 3 -7,-1.7 2,-0.2 -2,-0.4 127,-0.0 -0.909 29.7-134.4-103.5 109.6 2.5 -26.4 26.5 9 47 A Y - 0 0 69 -2,-0.7 2,-0.1 1,-0.1 -7,-0.0 -0.411 16.0-165.0 -72.1 131.8 2.4 -27.1 30.2 10 48 A S + 0 0 36 -2,-0.2 -1,-0.1 141,-0.1 141,-0.0 -0.344 34.1 152.1-108.4 49.9 5.4 -28.8 31.8 11 49 A G + 0 0 28 7,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.245 23.2 176.3 -74.8 167.1 3.8 -29.7 35.1 12 50 A R + 0 0 167 138,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.139 14.7 163.1-162.2 27.0 4.8 -32.7 37.3 13 51 A S > - 0 0 56 1,-0.1 3,-0.8 2,-0.1 5,-0.2 -0.225 37.9-134.2 -60.4 143.3 2.7 -32.7 40.5 14 52 A Q T 3 S+ 0 0 191 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.886 103.8 53.7 -67.2 -43.8 2.6 -36.0 42.5 15 53 A D T 3 S- 0 0 129 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.561 115.9-114.7 -68.8 -6.7 -1.2 -36.0 43.1 16 54 A G S X> S+ 0 0 10 -3,-0.8 3,-0.7 3,-0.0 4,-0.6 0.753 72.9 139.8 77.8 25.8 -1.6 -35.7 39.3 17 55 A S H 3> + 0 0 46 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.703 60.4 68.5 -73.6 -21.6 -3.2 -32.3 39.7 18 56 A H H 3> S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.772 93.6 58.9 -69.3 -26.0 -1.3 -31.0 36.7 19 57 A L H <> S+ 0 0 16 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.864 106.0 48.0 -68.2 -36.6 -3.4 -33.3 34.5 20 58 A L H X S+ 0 0 29 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.869 112.3 48.5 -69.7 -40.0 -6.5 -31.5 35.8 21 59 A K H X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.932 113.4 47.5 -64.5 -47.9 -5.0 -28.1 35.1 22 60 A S H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 113.0 48.6 -56.6 -51.6 -4.0 -29.2 31.6 23 61 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 110.5 49.3 -58.7 -49.0 -7.4 -30.7 30.9 24 62 A R H X S+ 0 0 93 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.873 109.8 54.1 -57.3 -37.3 -9.3 -27.7 32.0 25 63 A Y H >X S+ 0 0 38 -4,-2.0 3,-1.1 1,-0.2 4,-0.7 0.941 107.2 49.5 -63.2 -47.7 -7.0 -25.5 29.9 26 64 A L H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 3,-0.9 0.893 107.8 54.9 -55.0 -42.6 -7.8 -27.6 26.8 27 65 A Q H 3< S+ 0 0 33 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.675 112.6 42.6 -69.9 -15.7 -11.5 -27.3 27.5 28 66 A Q H << S+ 0 0 157 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.438 124.4 35.9-105.4 -3.8 -11.1 -23.5 27.6 29 67 A E H S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.905 108.9 51.1 -60.4 -36.0 -13.5 -25.1 21.6 32 70 A V H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.942 112.2 45.3 -63.0 -48.4 -12.5 -21.5 20.7 33 71 A R H X S+ 0 0 23 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.852 112.8 50.0 -66.8 -36.5 -10.0 -22.6 18.1 34 72 A I H X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 3,-0.3 0.949 109.0 53.6 -62.7 -45.9 -12.5 -25.1 16.6 35 73 A A H X S+ 0 0 27 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.901 106.5 52.6 -55.9 -41.0 -15.1 -22.3 16.5 36 74 A H H X S+ 0 0 102 -4,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.862 110.0 47.8 -62.1 -38.1 -12.7 -20.1 14.6 37 75 A R H X S+ 0 0 22 -4,-1.5 4,-2.2 -3,-0.3 -2,-0.2 0.869 106.1 56.5 -74.4 -34.8 -12.1 -22.8 12.0 38 76 A I H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.902 105.4 53.1 -59.0 -38.3 -15.8 -23.4 11.6 39 77 A K H X S+ 0 0 124 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.899 104.5 56.3 -61.9 -41.0 -16.1 -19.7 10.7 40 78 A G H < S+ 0 0 17 -4,-1.4 4,-0.5 2,-0.2 3,-0.4 0.928 108.5 45.7 -52.2 -51.1 -13.4 -20.3 8.1 41 79 A F H >< S+ 0 0 6 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.909 109.7 55.7 -60.6 -42.7 -15.6 -23.0 6.5 42 80 A R H 3< S+ 0 0 181 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 109.0 47.3 -59.7 -29.3 -18.6 -20.7 6.7 43 81 A S T 3< S+ 0 0 99 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.412 82.3 119.8 -98.6 -0.8 -16.8 -18.0 4.8 44 82 A L S < S- 0 0 13 -3,-1.2 -3,-0.0 -4,-0.5 74,-0.0 -0.349 84.5 -83.3 -55.3 144.1 -15.5 -20.3 2.0 45 83 A P >> - 0 0 26 0, 0.0 4,-2.7 0, 0.0 3,-1.3 -0.299 46.2-115.8 -48.8 132.5 -16.7 -19.3 -1.5 46 84 A F H 3> S+ 0 0 170 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.811 112.3 52.9 -44.1 -46.8 -20.1 -20.9 -1.9 47 85 A I H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.829 114.4 42.4 -67.6 -31.4 -19.1 -23.2 -4.7 48 86 A I H X4 S+ 0 0 0 -3,-1.3 3,-1.8 2,-0.2 6,-0.2 0.919 111.6 54.0 -75.5 -48.0 -16.2 -24.6 -2.7 49 87 A G H 3< S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.702 103.3 59.1 -60.4 -21.2 -18.1 -24.9 0.5 50 88 A C T 3< S+ 0 0 61 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.594 75.9 115.3 -83.1 -15.6 -20.7 -26.9 -1.3 51 89 A N S <> S- 0 0 38 -3,-1.8 4,-3.0 -4,-0.2 5,-0.2 -0.388 72.4-130.2 -55.9 126.9 -18.2 -29.6 -2.3 52 90 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.831 106.2 48.1 -52.0 -37.5 -19.3 -32.9 -0.5 53 91 A T H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.914 112.1 47.8 -74.1 -41.2 -15.8 -33.5 0.8 54 92 A I H > S+ 0 0 0 -6,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.937 111.4 52.8 -60.0 -44.0 -15.4 -29.9 2.1 55 93 A L H X S+ 0 0 69 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.889 106.2 53.8 -58.4 -40.1 -18.8 -30.3 3.7 56 94 A H H X S+ 0 0 85 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.928 110.3 44.8 -61.1 -45.7 -17.7 -33.5 5.4 57 95 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 112.7 53.0 -64.7 -41.8 -14.7 -31.8 7.0 58 96 A H H X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.954 111.1 46.0 -54.1 -55.3 -17.0 -28.8 7.9 59 97 A E H X S+ 0 0 78 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.877 109.0 55.7 -55.0 -42.7 -19.4 -31.2 9.6 60 98 A L H X S+ 0 0 25 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.903 108.0 49.0 -57.9 -43.1 -16.5 -33.0 11.3 61 99 A Y H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.894 110.4 50.2 -66.4 -39.1 -15.4 -29.7 12.8 62 100 A I H X S+ 0 0 57 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.934 110.4 50.9 -60.7 -46.2 -19.0 -28.9 14.0 63 101 A R H X S+ 0 0 129 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.881 108.8 51.1 -59.1 -41.3 -19.1 -32.4 15.6 64 102 A A H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.931 111.1 47.7 -64.1 -46.9 -15.8 -31.8 17.4 65 103 A F H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.921 112.6 50.3 -56.4 -45.6 -17.0 -28.5 18.8 66 104 A Q H X S+ 0 0 105 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.920 110.9 47.8 -62.3 -45.0 -20.3 -30.1 19.9 67 105 A K H X S+ 0 0 73 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.903 113.3 46.9 -63.5 -42.4 -18.6 -33.0 21.7 68 106 A L H >< S+ 0 0 3 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.928 114.6 46.3 -67.2 -42.1 -16.1 -30.8 23.5 69 107 A T H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.8 54.9 -71.9 -27.3 -18.8 -28.3 24.6 70 108 A D H 3< S+ 0 0 128 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.592 85.9 102.2 -76.7 -13.4 -21.1 -31.2 25.7 71 109 A F S << S- 0 0 42 -3,-0.8 3,-0.1 -4,-0.6 -3,-0.0 -0.611 78.7-118.4 -76.9 129.2 -18.3 -32.6 27.9 72 110 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.164 42.3 -75.1 -64.0 159.4 -18.9 -31.7 31.6 73 111 A P - 0 0 103 0, 0.0 2,-0.8 0, 0.0 -49,-0.0 -0.220 50.7-115.4 -51.6 139.4 -16.5 -29.6 33.7 74 112 A I + 0 0 7 1,-0.2 -50,-0.1 -3,-0.1 3,-0.1 -0.745 52.5 151.0 -84.9 111.9 -13.4 -31.5 34.6 75 113 A K + 0 0 136 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.671 58.0 19.2-112.8 -25.7 -13.4 -31.8 38.4 76 114 A D S > S- 0 0 75 1,-0.1 4,-2.6 -56,-0.0 3,-0.4 -0.889 81.1 -95.8-143.9 171.8 -11.6 -35.1 39.2 77 115 A Q H > S+ 0 0 81 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.825 120.8 59.6 -59.4 -33.4 -9.2 -37.7 37.8 78 116 A A H > S+ 0 0 66 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.908 109.2 42.7 -60.3 -45.0 -12.1 -39.8 36.8 79 117 A D H > S+ 0 0 48 -3,-0.4 4,-3.0 2,-0.2 3,-0.4 0.958 111.8 53.8 -62.4 -53.3 -13.4 -37.0 34.5 80 118 A E H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.880 106.3 53.7 -50.4 -42.1 -9.9 -36.3 33.2 81 119 A A H X S+ 0 0 43 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.889 110.5 44.9 -64.0 -41.4 -9.5 -39.9 32.2 82 120 A Q H >X S+ 0 0 122 -4,-1.4 4,-1.9 -3,-0.4 3,-0.7 0.906 108.2 58.4 -69.2 -40.5 -12.8 -39.9 30.2 83 121 A Y H 3X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.893 101.6 56.2 -51.3 -40.6 -11.8 -36.6 28.6 84 122 A C H 3X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.805 103.2 54.3 -64.6 -31.6 -8.6 -38.3 27.3 85 123 A Q H < S+ 0 0 93 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.921 111.9 53.2 -65.0 -48.0 -8.2 -40.3 15.3 93 131 A D H 3< S+ 0 0 69 -4,-3.5 3,-0.3 1,-0.3 -1,-0.2 0.835 116.0 41.9 -55.8 -32.7 -11.4 -39.0 13.7 94 132 A H T >< S+ 0 0 20 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.268 80.7 104.4-100.7 10.2 -9.5 -36.1 12.2 95 133 A K T < S+ 0 0 107 -3,-1.5 3,-0.3 1,-0.3 4,-0.2 0.766 83.1 47.1 -69.7 -24.8 -6.3 -37.7 11.1 96 134 A D T 3> S+ 0 0 85 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.3 0.272 79.3 109.7 -94.6 9.9 -7.2 -37.6 7.4 97 135 A V H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.877 74.0 52.1 -60.1 -40.0 -8.3 -34.0 7.4 98 136 A V H > S+ 0 0 18 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.928 112.7 46.9 -61.3 -40.9 -5.4 -32.6 5.4 99 137 A T H > S+ 0 0 52 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 110.8 51.2 -67.5 -40.8 -6.0 -35.2 2.7 100 138 A L H X S+ 0 0 37 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 110.8 48.2 -64.0 -45.4 -9.7 -34.6 2.6 101 139 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.913 109.7 53.0 -61.5 -43.1 -9.2 -30.8 2.2 102 140 A A H X S+ 0 0 3 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.966 114.2 42.3 -56.6 -50.7 -6.7 -31.3 -0.6 103 141 A E H X S+ 0 0 98 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.894 115.5 48.3 -61.1 -45.7 -9.2 -33.5 -2.5 104 142 A G H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.869 117.9 40.7 -67.7 -34.8 -12.2 -31.3 -1.8 105 143 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.718 93.6 85.1 -84.5 -22.3 -10.4 -28.2 -2.9 106 144 A R H < S+ 0 0 130 -4,-1.7 4,-0.2 -5,-0.3 -1,-0.2 0.913 107.4 18.5 -53.7 -56.4 -8.6 -29.6 -5.8 107 145 A E H >< S+ 0 0 95 -4,-0.7 3,-2.2 1,-0.2 4,-0.3 0.949 121.4 59.1 -75.8 -52.5 -11.4 -29.1 -8.3 108 146 A S H >X S+ 0 0 8 -4,-0.8 3,-1.3 1,-0.3 4,-0.6 0.738 95.8 63.3 -54.2 -28.7 -13.5 -26.6 -6.6 109 147 A R T 3< S+ 0 0 28 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.677 86.7 71.8 -73.3 -15.5 -10.7 -23.9 -6.4 110 148 A K T <4 S+ 0 0 132 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.613 96.5 56.1 -73.3 -10.0 -10.5 -23.6 -10.1 111 149 A H T <4 S+ 0 0 102 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.863 84.0 88.4 -91.1 -42.7 -13.9 -21.9 -10.0 112 150 A I < - 0 0 29 -4,-0.6 5,-0.0 -3,-0.1 -3,-0.0 -0.171 67.9-131.4 -75.0 159.4 -13.6 -18.9 -7.7 113 151 A E S S+ 0 0 201 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 0.953 87.9 66.8 -70.8 -56.3 -12.5 -15.3 -8.5 114 152 A D - 0 0 76 1,-0.1 4,-0.4 2,-0.1 3,-0.3 -0.573 61.1-168.7 -75.5 122.9 -9.9 -14.6 -5.8 115 153 A E S > S+ 0 0 104 -2,-0.4 4,-0.6 1,-0.2 3,-0.3 0.770 83.9 52.2 -86.5 -28.0 -6.8 -16.8 -6.2 116 154 A K H > S+ 0 0 164 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 0.460 89.2 85.9 -85.4 1.8 -5.1 -16.1 -2.9 117 155 A L H > S+ 0 0 55 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.928 90.7 43.2 -67.9 -46.3 -8.3 -17.0 -1.1 118 156 A V H > S+ 0 0 1 -4,-0.4 4,-3.5 -3,-0.3 5,-0.3 0.923 111.4 54.9 -65.9 -44.6 -7.7 -20.7 -0.9 119 157 A R H X S+ 0 0 64 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.916 111.6 44.9 -51.7 -48.2 -4.0 -20.2 -0.0 120 158 A Y H X S+ 0 0 151 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.936 113.3 50.1 -64.2 -48.5 -5.1 -18.1 2.9 121 159 A F H X S+ 0 0 10 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.929 115.4 43.0 -54.3 -48.7 -7.8 -20.6 4.0 122 160 A L H X S+ 0 0 0 -4,-3.5 4,-3.0 2,-0.2 5,-0.4 0.945 112.8 51.1 -68.4 -44.8 -5.4 -23.5 3.8 123 161 A D H X S+ 0 0 49 -4,-2.9 4,-1.7 -5,-0.3 5,-0.2 0.946 117.3 40.9 -53.5 -49.6 -2.5 -21.7 5.6 124 162 A K H X S+ 0 0 88 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.921 118.4 45.3 -67.6 -42.6 -4.9 -20.7 8.4 125 163 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.930 114.8 45.4 -70.1 -45.3 -6.7 -24.0 8.7 126 164 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.865 115.6 46.2 -69.4 -37.4 -3.7 -26.3 8.5 127 165 A T H X S+ 0 0 12 -4,-1.7 4,-2.3 -5,-0.4 -1,-0.2 0.905 112.5 49.3 -71.4 -41.7 -1.6 -24.3 11.0 128 166 A S H X S+ 0 0 22 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.915 112.2 51.1 -61.3 -39.7 -4.6 -23.9 13.5 129 167 A R H X S+ 0 0 21 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.916 107.1 51.6 -63.3 -43.2 -5.0 -27.6 13.1 130 168 A L H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.930 110.9 49.4 -57.6 -43.7 -1.4 -28.3 13.9 131 169 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 111.3 49.1 -60.8 -44.0 -1.7 -26.2 17.0 132 170 A I H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.944 112.6 46.8 -61.7 -47.0 -4.8 -28.1 18.0 133 171 A R H X S+ 0 0 56 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.872 111.2 52.5 -66.0 -34.3 -3.2 -31.4 17.5 134 172 A M H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.947 111.4 45.6 -65.3 -47.7 -0.0 -30.3 19.4 135 173 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 115.9 46.5 -60.7 -42.7 -2.0 -29.2 22.4 136 174 A A H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.918 114.4 45.6 -69.9 -44.0 -4.1 -32.4 22.4 137 175 A T H X S+ 0 0 43 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.863 110.0 56.0 -66.1 -37.3 -1.2 -34.7 22.0 138 176 A H H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.926 106.2 50.7 -60.6 -44.4 0.7 -32.9 24.7 139 177 A H H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.942 112.6 45.5 -60.9 -46.9 -2.1 -33.4 27.1 140 178 A L H >< S+ 0 0 12 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.903 109.9 55.4 -57.8 -43.0 -2.2 -37.1 26.4 141 179 A A H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.3 10,-0.5 0.693 88.9 76.1 -71.4 -19.4 1.6 -37.4 26.6 142 180 A L T << S+ 0 0 16 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.758 89.9 58.4 -61.2 -24.5 1.6 -35.9 30.1 143 181 A H T < S+ 0 0 80 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.714 93.3 88.3 -75.0 -20.9 0.4 -39.3 31.3 144 182 A E < - 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