==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-APR-12 4EP9 . COMPND 2 MOLECULE: CARNITINE O-PALMITOYLTRANSFERASE 2, MITOCHONDRIAL . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.C.RUFER,R.THOMA,J.BENZ,M.STIHLE,B.GSELL,E.DE ROO,D.W.BANNE . 625 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 35 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 1 0 2 1 1 1 3 1 0 1 2 0 2 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 . 2 1 2 3 1 1 2 0 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 0 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 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 32 A D 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.3 -35.6 2.8 61.1 2 33 A D + 0 0 47 131,-0.0 2,-0.4 127,-0.0 132,-0.2 0.142 360.0 99.9 -87.4 20.3 -31.9 2.3 61.4 3 34 A Y - 0 0 63 130,-0.1 128,-0.1 1,-0.1 127,-0.1 -0.901 54.5-161.4-112.2 141.3 -32.1 -1.6 61.7 4 35 A L S S+ 0 0 22 126,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.376 82.3 27.8 -97.3 1.7 -31.6 -4.1 58.9 5 36 A Q - 0 0 18 125,-0.2 134,-0.1 2,-0.1 -1,-0.1 -0.972 59.6-155.1-158.6 152.9 -33.4 -6.9 60.7 6 37 A H - 0 0 108 -2,-0.3 134,-0.2 -3,-0.1 2,-0.1 -0.428 21.1-174.9-134.6 62.0 -36.2 -7.1 63.3 7 38 A S - 0 0 12 132,-3.1 4,-0.1 1,-0.2 133,-0.1 -0.349 20.0-161.4 -65.8 127.6 -35.8 -10.4 65.2 8 39 A I S S+ 0 0 70 -2,-0.1 -1,-0.2 2,-0.1 132,-0.1 0.758 84.0 70.4 -72.9 -26.4 -38.6 -11.2 67.7 9 40 A V S S- 0 0 6 130,-0.1 -2,-0.1 133,-0.0 4,-0.1 -0.827 103.8-109.8 -87.9 120.9 -36.1 -13.7 69.3 10 41 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 129,-0.2 -0.213 24.2-119.4 -51.8 144.1 -33.3 -11.7 71.0 11 42 A T T 3 S+ 0 0 1 127,-1.0 3,-0.3 1,-0.3 132,-0.3 0.848 113.0 40.0 -48.6 -43.0 -30.0 -12.0 69.1 12 43 A M T > S+ 0 0 78 1,-0.2 3,-1.2 130,-0.1 4,-0.5 0.097 79.1 122.1-100.7 22.6 -28.2 -13.5 72.1 13 44 A H T < S+ 0 0 11 -3,-1.8 156,-0.3 1,-0.3 -1,-0.2 0.715 78.4 37.1 -63.3 -26.6 -31.1 -15.7 73.2 14 45 A Y T > S+ 0 0 7 -3,-0.3 3,-0.7 -4,-0.2 4,-0.5 0.470 88.9 93.4-103.5 -5.5 -29.3 -19.0 73.0 15 46 A Q G X S+ 0 0 16 -3,-1.2 3,-0.7 1,-0.2 -2,-0.1 0.839 83.1 53.4 -63.2 -37.1 -25.8 -18.0 74.3 16 47 A D G 3 S+ 0 0 115 -4,-0.5 -1,-0.2 1,-0.2 151,-0.1 0.791 114.9 40.3 -69.2 -29.0 -26.4 -18.9 77.9 17 48 A S G < S+ 0 0 11 -3,-0.7 -1,-0.2 149,-0.4 -2,-0.2 0.279 81.4 133.1-105.4 8.2 -27.5 -22.5 77.1 18 49 A L < - 0 0 12 -3,-0.7 445,-0.1 -4,-0.5 2,-0.1 -0.288 64.8-105.2 -59.2 140.1 -25.0 -23.3 74.4 19 50 A P - 0 0 33 0, 0.0 445,-2.6 0, 0.0 2,-0.1 -0.425 36.1-109.5 -67.0 143.2 -23.3 -26.7 74.8 20 51 A R B -a 464 0A 92 443,-0.2 59,-0.1 1,-0.1 445,-0.1 -0.475 41.0 -94.7 -67.4 144.5 -19.7 -26.6 76.2 21 52 A L - 0 0 5 443,-0.6 59,-0.3 57,-0.2 -1,-0.1 -0.467 47.3-121.2 -62.6 118.7 -17.0 -27.6 73.6 22 53 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 441,-0.0 -0.295 11.7-141.8 -61.4 142.6 -16.3 -31.4 74.2 23 54 A I - 0 0 25 496,-0.1 496,-0.1 57,-0.0 3,-0.1 -0.957 27.7-128.3 -97.8 123.0 -12.8 -32.5 75.1 24 55 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 495,-0.0 -0.221 27.6 -92.8 -65.1 162.0 -12.3 -35.8 73.2 25 56 A K > - 0 0 126 1,-0.1 4,-1.9 4,-0.0 3,-0.5 -0.583 35.7-125.4 -62.0 137.3 -11.1 -39.0 75.0 26 57 A L H > S+ 0 0 13 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.877 110.7 58.3 -57.5 -40.9 -7.2 -39.1 74.7 27 58 A E H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 107.4 46.4 -53.5 -43.1 -7.3 -42.5 73.1 28 59 A D H > S+ 0 0 45 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.885 112.1 51.6 -67.7 -40.6 -9.6 -41.1 70.3 29 60 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.940 110.6 46.3 -62.7 -48.8 -7.3 -38.1 69.8 30 61 A M H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.896 113.4 50.7 -63.5 -38.3 -4.1 -40.2 69.5 31 62 A K H X S+ 0 0 108 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.935 112.7 45.6 -61.3 -49.2 -5.9 -42.6 67.1 32 63 A R H X S+ 0 0 43 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.894 111.2 53.3 -61.1 -39.9 -7.0 -39.7 64.9 33 64 A Y H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.3 0.963 112.2 44.0 -60.3 -49.7 -3.5 -38.1 65.0 34 65 A L H X S+ 0 0 20 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.844 109.4 57.6 -66.1 -33.4 -2.0 -41.4 63.8 35 66 A N H < S+ 0 0 54 -4,-2.3 441,-0.2 1,-0.2 -1,-0.2 0.861 108.4 46.3 -61.9 -38.4 -4.7 -41.8 61.2 36 67 A A H < S+ 0 0 10 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.774 110.7 53.9 -75.3 -28.6 -3.8 -38.4 59.7 37 68 A Q H >X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 3,-1.7 0.712 87.1 84.1 -72.2 -26.9 -0.1 -39.3 59.8 38 69 A K T 3< S+ 0 0 91 -4,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.893 93.6 41.4 -51.2 -49.7 -0.6 -42.6 57.8 39 70 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 412,-0.2 0.615 119.6 46.5 -70.9 -7.7 -0.5 -40.9 54.4 40 71 A L T <4 S+ 0 0 23 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.2 0.694 99.0 68.8-106.9 -25.5 2.5 -38.6 55.3 41 72 A L S < S- 0 0 18 -4,-1.8 2,-0.1 -3,-0.2 -1,-0.0 -0.770 70.7-129.3-106.7 142.1 5.0 -40.8 57.1 42 73 A D > - 0 0 84 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.339 45.7 -89.3 -75.0 172.7 7.2 -43.6 55.8 43 74 A D H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.859 125.6 41.2 -54.7 -46.2 7.1 -47.0 57.7 44 75 A S H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.812 114.1 52.0 -77.9 -30.6 9.9 -46.2 60.2 45 76 A Q H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 111.3 48.9 -65.0 -48.4 8.7 -42.6 60.8 46 77 A F H X S+ 0 0 22 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.902 111.1 48.6 -55.5 -44.6 5.2 -44.0 61.5 47 78 A R H X S+ 0 0 151 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.926 112.3 49.7 -68.2 -37.8 6.5 -46.6 63.9 48 79 A R H X S+ 0 0 116 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.879 114.8 43.4 -62.8 -42.6 8.6 -44.0 65.7 49 80 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.899 110.4 55.4 -71.0 -41.4 5.6 -41.6 66.0 50 81 A E H X S+ 0 0 70 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.909 108.4 50.4 -53.9 -42.9 3.3 -44.5 67.0 51 82 A A H X S+ 0 0 53 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 109.8 48.1 -65.2 -43.2 5.8 -45.2 69.8 52 83 A L H X S+ 0 0 20 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.909 109.5 54.7 -63.5 -38.8 5.9 -41.6 71.0 53 84 A C H X S+ 0 0 3 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.917 107.6 48.7 -59.0 -45.6 2.1 -41.6 70.9 54 85 A K H X S+ 0 0 151 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.938 112.2 48.6 -59.5 -49.4 1.9 -44.6 73.2 55 86 A N H X S+ 0 0 94 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 115.3 46.1 -51.9 -51.0 4.4 -43.0 75.7 56 87 A F H <>S+ 0 0 6 -4,-2.8 6,-1.3 1,-0.2 5,-1.0 0.939 111.6 48.8 -61.0 -53.3 2.3 -39.8 75.6 57 88 A E H <5S+ 0 0 57 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 121.1 37.7 -58.6 -30.0 -1.1 -41.5 76.0 58 89 A T H <5S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.724 129.0 22.6 -91.2 -20.3 0.3 -43.5 79.0 59 90 A G T X5S- 0 0 30 -4,-1.9 4,-1.5 -5,-0.2 -3,-0.2 0.561 125.3 -3.0-117.5-112.4 2.5 -40.8 80.5 60 91 A V H >5S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.821 126.9 57.0 -68.4 -31.9 2.7 -37.0 80.4 61 92 A G H > S+ 0 0 103 -6,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.877 114.4 45.6 -56.1 -40.0 -2.6 -38.7 80.3 63 94 A E H X S+ 0 0 109 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.894 111.8 48.6 -76.5 -41.3 -1.6 -36.3 83.0 64 95 A L H X S+ 0 0 9 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.936 112.5 52.1 -57.3 -44.1 -1.9 -33.1 80.9 65 96 A H H X S+ 0 0 27 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.906 104.7 53.2 -61.0 -49.1 -5.4 -34.5 79.9 66 97 A A H X S+ 0 0 47 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.922 114.3 45.1 -47.1 -46.3 -6.6 -35.1 83.5 67 98 A H H X S+ 0 0 100 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.881 108.3 54.5 -71.3 -39.0 -5.6 -31.4 84.1 68 99 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.925 110.8 48.4 -54.4 -47.6 -7.2 -30.1 80.9 69 100 A L H X S+ 0 0 50 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.868 112.3 46.5 -62.4 -43.9 -10.5 -31.8 82.0 70 101 A A H X S+ 0 0 40 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.883 112.1 51.0 -67.7 -41.4 -10.4 -30.4 85.6 71 102 A Q H >< S+ 0 0 73 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.932 110.3 50.7 -58.2 -46.2 -9.6 -26.9 84.3 72 103 A D H >< S+ 0 0 16 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.897 106.7 53.4 -60.1 -42.1 -12.6 -27.2 81.9 73 104 A K H 3< S+ 0 0 122 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.661 109.4 49.7 -70.0 -15.7 -14.9 -28.2 84.7 74 105 A Q T << S+ 0 0 150 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.419 115.2 44.4 -95.1 -5.4 -13.8 -25.1 86.7 75 106 A N X + 0 0 61 -3,-1.4 3,-1.4 -4,-0.4 -1,-0.2 -0.395 62.2 145.7-137.9 57.6 -14.5 -22.9 83.6 76 107 A K T 3 + 0 0 113 -3,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.518 65.2 72.4 -76.0 -7.3 -17.8 -24.0 82.2 77 108 A H T 3 S+ 0 0 122 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.592 109.8 27.1 -77.0 -12.9 -18.6 -20.4 81.2 78 109 A T S < S- 0 0 24 -3,-1.4 2,-0.3 -6,-0.2 -57,-0.2 -0.569 88.1 -93.9-133.9-167.4 -16.1 -20.9 78.5 79 110 A S > - 0 0 5 386,-0.2 4,-0.6 -2,-0.2 3,-0.5 -0.846 26.3-123.9-116.4 152.3 -14.3 -23.4 76.2 80 111 A Y T 4 S+ 0 0 11 -59,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.821 112.0 47.4 -62.7 -28.7 -11.0 -25.2 76.8 81 112 A I T > S+ 0 0 0 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.676 89.8 84.2 -88.6 -16.9 -9.6 -23.9 73.5 82 113 A S H > S+ 0 0 12 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.930 95.5 37.5 -57.9 -59.4 -10.6 -20.3 73.8 83 114 A G H X S+ 0 0 42 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.954 118.6 48.3 -55.8 -57.0 -7.7 -19.0 75.9 84 115 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.896 112.8 49.6 -51.9 -40.8 -5.0 -21.1 74.1 85 116 A W H X S+ 0 0 20 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.902 109.5 48.8 -69.9 -44.2 -6.4 -20.1 70.7 86 117 A F H X S+ 0 0 41 -4,-2.3 4,-3.3 -5,-0.3 5,-0.3 0.944 112.4 51.7 -53.9 -47.7 -6.4 -16.3 71.4 87 118 A D H X S+ 0 0 21 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.849 101.8 59.5 -59.9 -35.9 -2.9 -16.7 72.7 88 119 A M H X S+ 0 0 51 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.939 115.4 35.1 -56.3 -49.6 -1.9 -18.5 69.5 89 120 A Y H < S+ 0 0 20 -4,-1.7 3,-0.5 -3,-0.2 -2,-0.2 0.964 120.3 46.3 -70.8 -50.2 -2.8 -15.4 67.5 90 121 A L H < S+ 0 0 16 -4,-3.3 111,-2.8 1,-0.2 -3,-0.2 0.718 111.5 48.6 -76.1 -23.5 -1.8 -12.7 69.9 91 122 A T H < S+ 0 0 53 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 0.692 83.8 110.0 -84.4 -21.2 1.6 -14.0 70.9 92 123 A A < - 0 0 19 -4,-0.7 109,-0.2 -3,-0.5 4,-0.0 -0.312 52.5-164.9 -51.7 128.2 2.6 -14.6 67.2 93 124 A R + 0 0 42 172,-0.1 172,-2.4 171,-0.1 173,-0.4 0.527 53.4 103.2 -95.9 -9.1 5.3 -12.0 66.4 94 125 A D S S- 0 0 102 170,-0.2 169,-0.1 1,-0.2 171,-0.0 -0.311 88.9 -78.9 -71.4 157.3 5.2 -12.3 62.6 95 126 A S - 0 0 10 1,-0.2 4,-0.3 167,-0.1 -1,-0.2 -0.250 30.4-141.9 -46.1 137.1 3.4 -9.6 60.5 96 127 A I S >>S+ 0 0 0 165,-0.4 5,-2.9 167,-0.4 4,-1.8 0.708 79.5 97.8 -73.2 -22.0 -0.3 -10.1 60.5 97 128 A V T 45S- 0 0 6 165,-0.2 2,-2.6 1,-0.2 216,-0.1 -0.544 107.2 -13.4 -67.9 131.2 -0.2 -9.2 56.8 98 129 A L T 45S+ 0 0 8 3,-0.5 474,-0.6 214,-0.4 -1,-0.2 -0.299 131.7 70.1 71.4 -56.1 -0.3 -12.4 54.7 99 130 A N T 45S- 0 0 53 -2,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.861 125.5 -8.3 -55.1 -39.4 0.5 -14.6 57.7 100 131 A F T <5S+ 0 0 46 -4,-1.8 -3,-0.2 1,-0.1 -4,-0.1 0.699 106.4 88.0-131.1 -44.8 -2.9 -14.1 59.3 101 132 A N < - 0 0 0 -5,-2.9 -3,-0.5 239,-0.1 471,-0.3 -0.551 51.0-178.1 -76.2 121.1 -5.3 -11.5 57.7 102 133 A P - 0 0 17 0, 0.0 237,-1.8 0, 0.0 2,-0.3 -0.513 12.1-139.0-101.4 177.2 -7.5 -12.9 54.9 103 134 A F E -BC 338 570B 4 467,-2.2 467,-1.8 235,-0.2 2,-0.3 -0.955 9.7-162.4-131.1 159.3 -10.1 -11.1 52.6 104 135 A M E -BC 337 569B 16 233,-1.9 233,-2.8 -2,-0.3 2,-0.4 -0.971 19.2-146.2-134.4 132.3 -13.5 -11.8 51.2 105 136 A A E -BC 336 568B 0 463,-3.6 462,-2.6 -2,-0.3 463,-0.8 -0.781 12.9-126.7-101.5 135.8 -14.7 -9.7 48.2 106 137 A F E - C 0 566B 5 229,-2.2 229,-0.4 -2,-0.4 460,-0.2 -0.450 22.9-116.0 -70.5 150.0 -18.4 -8.7 47.7 107 138 A N - 0 0 53 458,-2.3 -1,-0.1 1,-0.1 228,-0.1 -0.420 48.9 -88.2 -70.1 158.8 -20.1 -9.4 44.4 108 139 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.243 44.7 -93.8 -64.2 162.2 -21.1 -6.1 42.7 109 140 A D - 0 0 4 2,-0.2 6,-0.1 1,-0.2 5,-0.1 -0.665 37.7-131.9 -65.9 131.4 -24.4 -4.4 43.4 110 141 A P S S+ 0 0 100 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.782 92.9 82.1 -62.9 -22.4 -26.5 -6.0 40.6 111 142 A K S > S- 0 0 79 1,-0.2 3,-1.4 250,-0.1 4,-0.3 -0.749 81.1-145.8 -81.0 116.5 -27.7 -2.4 39.8 112 143 A S G > S+ 0 0 102 -2,-0.7 3,-1.8 1,-0.3 -1,-0.2 0.857 91.0 52.8 -53.8 -47.4 -24.8 -1.1 37.6 113 144 A E G > S+ 0 0 129 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.656 96.0 70.0 -69.4 -15.1 -24.9 2.5 38.6 114 145 A Y G < S+ 0 0 42 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.546 82.6 73.6 -76.8 -6.7 -24.8 1.6 42.3 115 146 A N G < + 0 0 28 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.303 64.8 125.4 -92.6 5.7 -21.1 0.5 41.9 116 147 A D S <> S- 0 0 81 -3,-1.0 4,-2.6 1,-0.1 5,-0.3 -0.440 72.8-121.4 -54.3 135.7 -20.1 4.1 41.6 117 148 A Q H > S+ 0 0 19 214,-0.6 4,-2.8 1,-0.2 5,-0.2 0.923 107.3 42.5 -57.7 -47.8 -17.4 4.5 44.3 118 149 A L H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 115.7 48.6 -64.8 -41.3 -19.1 7.3 46.3 119 150 A T H > S+ 0 0 1 2,-0.2 4,-2.5 -6,-0.2 247,-0.2 0.922 116.9 42.1 -64.6 -47.2 -22.5 5.7 46.2 120 151 A R H X S+ 0 0 5 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.905 111.5 53.3 -73.1 -43.6 -21.2 2.3 47.2 121 152 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.916 114.6 44.3 -52.5 -44.2 -18.8 3.5 49.9 122 153 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.931 115.9 45.4 -68.2 -48.0 -21.8 5.4 51.4 123 154 A N H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.900 115.7 46.1 -62.8 -43.8 -24.3 2.5 51.1 124 155 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.888 114.6 48.1 -66.7 -42.5 -21.8 -0.1 52.4 125 156 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.933 113.5 46.6 -58.9 -51.7 -20.8 2.1 55.3 126 157 A V H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.900 112.4 50.7 -61.3 -40.7 -24.4 2.9 56.3 127 158 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.913 109.0 51.4 -64.9 -40.8 -25.3 -0.8 56.0 128 159 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.889 111.2 47.6 -60.3 -42.0 -22.4 -1.7 58.3 129 160 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.854 109.2 53.7 -65.4 -38.3 -23.5 0.9 60.9 130 161 A R H X S+ 0 0 35 -4,-2.2 4,-2.7 2,-0.2 -126,-0.5 0.864 107.2 52.5 -61.8 -39.4 -27.1 -0.5 60.6 131 162 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.957 109.6 48.2 -60.4 -45.2 -25.6 -3.9 61.3 132 163 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 113.5 47.7 -60.3 -43.6 -23.9 -2.4 64.5 133 164 A K H X S+ 0 0 17 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.908 111.2 49.2 -61.5 -46.6 -27.3 -0.9 65.5 134 165 A T H X>S+ 0 0 0 -4,-2.7 5,-2.2 -132,-0.2 6,-0.8 0.885 111.0 50.9 -64.3 -41.3 -29.3 -4.0 64.9 135 166 A L H ><5S+ 0 0 31 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.911 110.0 50.0 -57.4 -48.9 -26.7 -6.0 67.0 136 167 A Q H 3<5S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.854 110.4 50.3 -57.8 -38.7 -26.9 -3.5 69.8 137 168 A A H 3<5S- 0 0 48 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.570 108.9-121.6 -80.2 -12.2 -30.8 -3.7 69.8 138 169 A G T <<5S+ 0 0 21 -3,-0.9 -127,-1.0 -4,-0.6 -3,-0.2 0.710 80.8 121.2 73.8 24.6 -30.8 -7.5 70.0 139 170 A L < + 0 0 41 -5,-2.2 -132,-3.1 -6,-0.2 2,-0.4 0.415 36.8 100.6-100.0 -7.2 -32.8 -7.4 66.7 140 171 A L S S- 0 0 0 -6,-0.8 3,-0.1 -134,-0.2 -135,-0.0 -0.698 86.8-107.7 -74.9 131.7 -30.3 -9.4 64.6 141 172 A E - 0 0 67 -2,-0.4 -130,-0.1 1,-0.1 -2,-0.1 -0.388 40.3 -99.8 -59.0 137.2 -31.7 -13.0 64.3 142 173 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 -130,-0.1 -0.244 40.6-105.6 -49.9 145.9 -29.7 -15.5 66.4 143 174 A E + 0 0 30 38,-0.3 38,-2.7 -132,-0.3 2,-0.3 -0.705 52.6 171.7 -74.6 128.8 -27.2 -17.4 64.3 144 175 A V E -I 180 0C 32 -2,-0.4 2,-0.7 36,-0.3 318,-0.0 -0.980 31.3-144.6-148.1 127.0 -28.6 -20.9 63.9 145 176 A F E -I 179 0C 126 34,-3.5 34,-2.5 -2,-0.3 2,-0.4 -0.840 25.6-158.3 -96.5 111.5 -27.6 -23.9 61.8 146 177 A H E -I 178 0C 36 -2,-0.7 32,-0.2 32,-0.2 31,-0.1 -0.762 24.5-173.4 -94.6 131.1 -30.8 -25.7 60.7 147 178 A L S S+ 0 0 95 30,-2.7 -1,-0.2 -2,-0.4 31,-0.1 0.890 97.6 24.0 -80.3 -48.0 -31.0 -29.4 59.6 148 179 A N S >> S+ 0 0 60 29,-0.5 3,-1.7 28,-0.4 4,-1.4 -0.796 73.0 178.1-113.0 85.3 -34.6 -29.0 58.5 149 180 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.799 79.4 61.7 -56.3 -29.7 -35.0 -25.2 57.9 150 181 A S H 34 S+ 0 0 113 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 0.705 110.3 39.8 -69.9 -20.1 -38.6 -25.7 56.8 151 182 A K H <4 S+ 0 0 115 -3,-1.7 -1,-0.2 25,-0.1 3,-0.2 0.688 131.5 20.6 -95.7 -23.8 -39.5 -27.1 60.3 152 183 A S H < S+ 0 0 1 -4,-1.4 2,-1.1 1,-0.1 -2,-0.2 0.663 104.9 71.5-127.8 -25.7 -37.4 -24.7 62.5 153 184 A D S < S+ 0 0 76 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.1 -0.446 82.9 118.4 -88.2 58.7 -36.6 -21.5 60.6 154 185 A T S > S- 0 0 40 -2,-1.1 4,-2.5 -3,-0.2 3,-0.4 -0.944 77.2-125.6-128.1 146.4 -40.3 -20.5 60.9 155 186 A D H > S+ 0 0 120 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.855 112.3 62.2 -51.1 -37.5 -42.2 -17.7 62.5 156 187 A A H > S+ 0 0 63 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.901 108.3 38.8 -58.7 -47.2 -44.1 -20.4 64.4 157 188 A F H > S+ 0 0 27 -3,-0.4 4,-3.4 2,-0.2 3,-0.5 0.919 114.5 55.1 -68.8 -43.7 -41.0 -21.7 66.2 158 189 A K H X S+ 0 0 30 -4,-2.5 4,-1.5 1,-0.3 -2,-0.2 0.855 105.0 52.7 -57.7 -42.2 -39.7 -18.2 66.7 159 190 A R H < S+ 0 0 170 -4,-2.7 -1,-0.3 -5,-0.2 4,-0.2 0.813 116.9 40.5 -60.2 -34.5 -42.9 -17.1 68.4 160 191 A L H >< S+ 0 0 126 -4,-0.9 3,-1.6 -3,-0.5 4,-0.4 0.932 110.9 52.8 -81.9 -49.5 -42.5 -20.1 70.8 161 192 A I H >< S+ 0 0 5 -4,-3.4 3,-1.9 1,-0.3 -2,-0.2 0.822 95.0 69.8 -60.3 -34.0 -38.8 -20.1 71.5 162 193 A R T 3< S+ 0 0 118 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.699 97.4 53.8 -60.1 -19.8 -38.7 -16.4 72.5 163 194 A F T < S+ 0 0 166 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.606 87.1 93.8 -88.5 -16.4 -40.7 -17.4 75.7 164 195 A V S < S- 0 0 44 -3,-1.9 5,-0.1 -4,-0.4 -4,-0.0 -0.667 87.6-114.3 -76.3 128.6 -38.1 -20.1 76.6 165 196 A P >> - 0 0 68 0, 0.0 3,-2.8 0, 0.0 4,-1.4 -0.338 22.6-113.8 -63.2 147.0 -35.5 -18.6 79.1 166 197 A P T 34 S+ 0 0 55 0, 0.0 4,-0.4 0, 0.0 -149,-0.4 0.700 115.9 67.7 -53.8 -21.8 -31.9 -18.4 77.7 167 198 A S T 34 S+ 0 0 68 1,-0.2 -153,-0.1 -151,-0.1 -3,-0.0 0.701 120.0 19.0 -71.6 -15.9 -30.9 -20.9 80.4 168 199 A L T X> S+ 0 0 93 -3,-2.8 4,-1.0 2,-0.1 3,-0.5 0.445 96.0 98.5-127.2 -6.8 -33.0 -23.5 78.4 169 200 A S H 3X S+ 0 0 0 -4,-1.4 4,-1.3 -156,-0.3 3,-0.5 0.845 76.6 61.2 -64.5 -36.6 -33.5 -22.1 74.9 170 201 A W H >> S+ 0 0 26 -4,-0.4 4,-2.7 1,-0.2 3,-0.6 0.926 101.0 55.8 -55.2 -46.0 -30.7 -24.1 73.2 171 202 A Y H <> S+ 0 0 128 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.857 101.5 57.2 -54.7 -38.0 -32.6 -27.3 74.1 172 203 A G H 3< S+ 0 0 22 -4,-1.0 -1,-0.2 -3,-0.5 4,-0.2 0.862 111.1 42.4 -61.9 -37.6 -35.7 -26.1 72.4 173 204 A A H X<>S+ 0 0 0 -4,-1.3 5,-2.3 -3,-0.6 3,-1.8 0.897 109.2 57.8 -72.4 -46.0 -33.8 -25.7 69.1 174 205 A Y H ><5S+ 0 0 114 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.901 100.2 59.2 -49.2 -43.4 -31.9 -29.0 69.5 175 206 A L T 3<5S+ 0 0 131 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.617 108.4 44.3 -67.0 -13.5 -35.2 -30.8 69.7 176 207 A V T < 5S- 0 0 26 -3,-1.8 -28,-0.4 -4,-0.2 -1,-0.3 0.034 122.6-103.5-115.0 24.2 -36.1 -29.5 66.2 177 208 A N T < 5S+ 0 0 58 -3,-1.9 -30,-2.7 1,-0.2 -29,-0.5 0.852 79.8 132.6 58.6 38.6 -32.7 -30.2 64.7 178 209 A A E < -I 146 0C 0 -5,-2.3 -32,-0.2 -32,-0.2 -1,-0.2 -0.923 43.0-155.0-116.1 143.2 -31.6 -26.6 64.8 179 210 A Y E -I 145 0C 62 -34,-2.5 -34,-3.5 -2,-0.4 -9,-0.0 -0.891 7.0-147.7-128.9 100.0 -28.2 -25.7 66.2 180 211 A P E -I 144 0C 0 0, 0.0 2,-0.3 0, 0.0 -36,-0.3 -0.330 20.9-136.8 -59.6 143.8 -27.7 -22.1 67.6 181 212 A L - 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0 0 46 -169,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.355 51.6-116.6 -43.1 136.9 6.8 -7.6 63.1 265 296 A R H > S+ 0 0 0 -172,-2.4 4,-2.0 1,-0.2 -1,-0.1 0.810 112.8 48.2 -63.6 -34.8 4.7 -7.3 66.3 266 297 A D H > S+ 0 0 72 -173,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.897 113.0 48.7 -69.1 -41.4 7.7 -6.5 68.6 267 298 A V H > S+ 0 0 57 -174,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.938 115.8 43.4 -61.0 -49.4 9.0 -3.8 66.2 268 299 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.866 108.7 58.8 -66.2 -36.2 5.6 -2.3 65.9 269 300 A A H X S+ 0 0 5 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.878 110.4 42.8 -59.5 -37.9 5.1 -2.5 69.7 270 301 A E H X S+ 0 0 114 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.832 113.8 49.9 -79.0 -35.1 8.2 -0.4 70.2 271 302 A L H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.835 108.0 54.0 -72.7 -35.3 7.4 2.1 67.5 272 303 A R H X S+ 0 0 21 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.924 108.0 50.1 -63.0 -45.4 3.8 2.6 68.8 273 304 A Q H X S+ 0 0 111 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.884 109.6 51.3 -58.0 -39.4 5.3 3.4 72.3 274 305 A K H X S+ 0 0 77 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.910 106.4 54.9 -64.5 -39.0 7.6 5.9 70.5 275 306 A L H <>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 -2,-0.2 0.924 109.5 46.7 -58.4 -45.6 4.5 7.3 68.9 276 307 A I H ><5S+ 0 0 48 -4,-2.2 3,-2.4 3,-0.2 5,-0.4 0.950 109.5 52.9 -58.0 -54.0 3.0 7.8 72.3 277 308 A F H 3<5S+ 0 0 182 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.850 105.9 56.5 -48.0 -37.9 6.2 9.4 73.7 278 309 A D T 3<5S- 0 0 39 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.219 128.0 -98.3 -88.7 15.7 6.1 11.8 70.8 279 310 A G T < 5S+ 0 0 62 -3,-2.4 3,-0.3 -5,-0.1 -3,-0.2 0.689 86.8 122.8 91.0 21.9 2.5 13.0 71.8 280 311 A N >< + 0 0 4 -5,-1.8 4,-2.6 1,-0.2 5,-0.3 0.252 31.8 109.7-100.6 12.1 0.3 10.9 69.5 281 312 A E H > S+ 0 0 129 -5,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.854 80.3 50.6 -61.8 -38.1 -1.9 9.1 72.0 282 313 A E H > S+ 0 0 146 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.899 111.8 47.3 -63.3 -46.2 -5.0 11.2 71.1 283 314 A T H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.928 113.8 46.4 -61.9 -47.8 -4.5 10.4 67.4 284 315 A L H X S+ 0 0 1 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.857 107.9 58.3 -65.6 -35.7 -4.0 6.7 68.0 285 316 A K H X S+ 0 0 97 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.894 107.2 46.9 -59.8 -44.5 -7.0 6.6 70.3 286 317 A K H X S+ 0 0 56 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.847 115.1 46.2 -64.7 -38.5 -9.2 7.9 67.5 287 318 A V H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.965 114.6 48.1 -65.1 -49.6 -7.7 5.4 65.0 288 319 A D H 3< S+ 0 0 9 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.851 114.8 41.9 -63.2 -40.6 -8.1 2.5 67.5 289 320 A S H 3< S+ 0 0 4 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.410 81.3 124.5 -97.2 2.2 -11.6 3.1 68.6 290 321 A A S << S- 0 0 0 -3,-1.0 -98,-0.3 -4,-0.6 -78,-0.2 -0.236 75.3-110.9 -62.3 154.9 -13.3 3.9 65.3 291 322 A V S S- 0 0 1 -80,-2.5 -100,-1.2 -100,-0.2 -99,-0.4 0.902 86.9 -44.7 -56.7 -45.1 -16.3 1.8 64.3 292 323 A F - 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