==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-03 1RKB . COMPND 2 MOLECULE: PROTEIN AD-004; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.REN,Y.LIANG,M.BENNETT,X.D.SU . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 1 0 1 1 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A L 0 0 222 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.7 11.3 -57.3 9.3 2 1 A M - 0 0 110 1,-0.0 2,-0.4 170,-0.0 170,-0.1 -0.707 360.0-117.9 -97.5 145.5 14.9 -57.9 10.4 3 2 A L - 0 0 87 -2,-0.3 168,-0.1 165,-0.2 70,-0.1 -0.706 41.0-160.4 -78.1 129.7 17.4 -55.2 11.3 4 3 A L - 0 0 51 68,-0.5 70,-0.4 -2,-0.4 71,-0.1 -0.891 9.2-121.6-118.7 148.6 20.2 -55.7 8.8 5 4 A P - 0 0 0 0, 0.0 69,-0.6 0, 0.0 2,-0.4 -0.318 15.6-129.8 -83.2 166.9 23.9 -54.6 8.8 6 5 A N - 0 0 3 68,-0.2 85,-2.2 67,-0.2 86,-0.9 -0.951 22.1-163.0-116.6 137.9 25.8 -52.4 6.4 7 6 A I E -ab 76 92A 0 68,-2.7 70,-3.2 -2,-0.4 2,-0.5 -0.963 8.6-151.4-125.7 137.9 29.1 -53.5 5.0 8 7 A L E -ab 77 93A 0 84,-1.9 86,-2.9 -2,-0.4 2,-0.6 -0.927 5.9-167.8-108.8 130.0 31.9 -51.5 3.2 9 8 A L E +ab 78 94A 0 68,-3.1 70,-1.9 -2,-0.5 2,-0.2 -0.979 26.2 157.8-113.6 115.0 34.1 -53.3 0.7 10 9 A T E + b 0 95A 0 84,-2.8 86,-2.7 -2,-0.6 2,-0.2 -0.767 6.5 108.8-131.3 178.9 37.0 -51.1 -0.1 11 10 A G - 0 0 0 68,-0.4 86,-0.1 -2,-0.2 3,-0.1 -0.627 69.4 -36.6 133.6 166.6 40.5 -51.4 -1.4 12 11 A T S > S- 0 0 1 84,-0.4 3,-1.9 -2,-0.2 5,-0.3 -0.142 74.6 -89.0 -56.1 146.5 42.5 -50.5 -4.6 13 12 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 -0.345 116.0 33.3 -57.2 138.7 40.7 -50.9 -7.9 14 13 A G T 3 S+ 0 0 2 -3,-0.1 -2,-0.1 92,-0.1 92,-0.1 0.252 81.5 109.3 99.3 -12.2 41.3 -54.4 -9.2 15 14 A V S < S- 0 0 0 -3,-1.9 82,-0.1 81,-0.1 -3,-0.1 0.647 96.1 -98.6 -73.9 -12.7 41.3 -56.2 -5.8 16 15 A G S > S+ 0 0 13 -4,-0.2 4,-2.0 80,-0.1 5,-0.2 0.663 74.6 140.5 106.6 21.2 37.9 -57.8 -6.4 17 16 A K H > S+ 0 0 12 -5,-0.3 4,-3.0 1,-0.2 5,-0.2 0.917 74.8 46.9 -60.3 -48.0 35.4 -55.6 -4.6 18 17 A T H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 111.8 49.0 -63.1 -47.0 32.7 -55.8 -7.3 19 18 A T H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.917 116.2 44.7 -60.1 -42.8 32.9 -59.6 -7.8 20 19 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.943 112.8 49.1 -67.7 -49.1 32.7 -60.1 -4.0 21 20 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.900 111.1 49.7 -58.6 -42.9 29.9 -57.6 -3.3 22 21 A K H X S+ 0 0 112 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.892 112.8 46.3 -65.0 -39.6 27.7 -59.0 -6.1 23 22 A E H X S+ 0 0 51 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.926 111.7 52.1 -68.7 -42.8 28.1 -62.6 -4.9 24 23 A L H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 6,-0.4 0.895 109.1 49.9 -58.6 -42.8 27.5 -61.5 -1.3 25 24 A A H >X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 3,-0.9 0.938 110.6 49.8 -61.7 -47.3 24.2 -59.8 -2.4 26 25 A S H 3< S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 117.2 40.7 -60.2 -36.4 23.0 -62.8 -4.3 27 26 A K H 3< S+ 0 0 117 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.392 125.8 31.5 -96.5 3.3 23.7 -65.1 -1.3 28 27 A S H << S- 0 0 40 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.2 0.565 94.8-123.3-129.7 -23.7 22.5 -62.9 1.5 29 28 A G < + 0 0 67 -4,-2.6 -4,-0.1 1,-0.3 -3,-0.1 0.342 66.2 134.3 92.0 -8.4 19.7 -60.8 0.1 30 29 A L - 0 0 11 -6,-0.4 2,-0.4 -5,-0.1 -1,-0.3 -0.366 63.1-103.0 -71.5 157.4 21.4 -57.6 1.1 31 30 A K E -c 75 0A 111 43,-2.5 45,-3.5 -3,-0.1 2,-0.5 -0.692 29.3-145.5 -86.1 131.4 21.5 -54.8 -1.5 32 31 A Y E -c 76 0A 34 -2,-0.4 2,-0.5 43,-0.2 45,-0.2 -0.823 14.5-171.2 -98.1 130.4 24.8 -54.3 -3.4 33 32 A I E -c 77 0A 11 43,-3.3 45,-2.8 -2,-0.5 2,-0.7 -0.965 12.7-160.4-126.8 118.1 25.8 -50.7 -4.3 34 33 A N E > -c 78 0A 28 -2,-0.5 4,-2.3 43,-0.2 5,-0.2 -0.857 11.9-155.4 -91.7 114.7 28.7 -49.9 -6.6 35 34 A V H > S+ 0 0 0 43,-2.6 4,-2.4 -2,-0.7 5,-0.2 0.891 91.1 52.6 -62.3 -39.5 29.4 -46.2 -5.8 36 35 A G H > S+ 0 0 18 42,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.942 112.0 45.4 -60.5 -47.4 31.1 -45.6 -9.2 37 36 A D H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 112.0 53.4 -62.7 -38.5 28.1 -47.0 -11.0 38 37 A L H X S+ 0 0 30 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.891 107.2 49.6 -64.1 -42.6 25.7 -45.0 -8.8 39 38 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.4 0.860 113.5 47.9 -65.1 -34.7 27.5 -41.7 -9.5 40 39 A R H <5S+ 0 0 151 -4,-1.7 3,-0.4 3,-0.2 -2,-0.2 0.908 112.4 48.1 -71.6 -43.4 27.2 -42.5 -13.2 41 40 A E H <5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.900 123.5 31.7 -63.9 -43.1 23.6 -43.4 -13.0 42 41 A E T <5S- 0 0 87 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.324 106.9-123.2 -98.9 6.9 22.6 -40.4 -11.0 43 42 A Q T 5 + 0 0 150 -4,-0.4 2,-1.3 -3,-0.4 -3,-0.2 0.912 44.2 170.5 49.3 54.6 25.2 -38.1 -12.6 44 43 A L < + 0 0 1 -5,-2.2 14,-2.8 -6,-0.2 2,-0.3 -0.527 27.9 126.8 -93.4 66.7 26.8 -37.2 -9.3 45 44 A Y B -E 57 0B 66 -2,-1.3 2,-0.3 12,-0.3 12,-0.2 -0.915 36.6-176.4-126.8 152.2 29.8 -35.4 -10.6 46 45 A D + 0 0 116 10,-2.8 2,-0.1 -2,-0.3 -2,-0.0 -0.825 64.1 6.3-148.4 102.4 31.4 -32.0 -10.1 47 46 A G - 0 0 43 -2,-0.3 9,-3.2 11,-0.0 -1,-0.3 -0.083 61.2-145.5 104.7 153.3 34.4 -31.1 -12.3 48 47 A Y - 0 0 137 7,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.288 13.7-157.1-127.6-146.4 36.2 -33.0 -15.1 49 48 A D - 0 0 38 -2,-0.1 -2,-0.0 1,-0.1 7,-0.0 -0.967 33.3-137.3 175.0 172.1 39.8 -33.3 -16.3 50 49 A E S S+ 0 0 177 -2,-0.3 -1,-0.1 3,-0.1 0, 0.0 0.508 95.1 81.4-115.4 -28.2 42.3 -34.0 -19.0 51 50 A E S S- 0 0 113 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.909 119.6 -5.0 -40.7 -69.6 44.2 -36.1 -16.5 52 51 A Y S S- 0 0 103 2,-0.2 -1,-0.2 64,-0.0 -2,-0.1 0.214 92.1-119.0-117.9 13.2 42.2 -39.3 -16.7 53 52 A D S S+ 0 0 108 1,-0.2 -3,-0.1 0, 0.0 -2,-0.1 0.829 75.4 120.8 52.3 37.1 39.4 -38.2 -19.1 54 53 A C - 0 0 58 -6,-0.0 -2,-0.2 0, 0.0 -1,-0.2 -0.989 67.8-110.6-135.3 140.1 36.8 -38.9 -16.3 55 54 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.279 40.9-109.8 -61.9 151.1 34.2 -36.7 -14.5 56 55 A I - 0 0 85 -9,-3.2 -10,-2.8 1,-0.0 2,-0.1 -0.751 29.8-118.1 -90.3 125.8 35.0 -36.1 -10.8 57 56 A L B -E 45 0B 28 -2,-0.5 2,-1.1 -12,-0.2 -12,-0.3 -0.359 18.3-133.8 -63.8 133.2 32.8 -37.8 -8.3 58 57 A D > - 0 0 27 -14,-2.8 4,-1.9 1,-0.2 3,-0.3 -0.771 19.4-167.8 -90.5 95.1 30.8 -35.4 -6.0 59 58 A E H > S+ 0 0 88 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.868 81.9 51.8 -53.2 -46.3 31.3 -36.9 -2.6 60 59 A D H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 110.6 48.0 -61.8 -39.3 28.7 -34.9 -0.8 61 60 A R H > S+ 0 0 118 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.842 108.6 54.9 -70.5 -32.6 26.0 -35.7 -3.3 62 61 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.934 109.4 47.6 -64.3 -44.6 26.9 -39.4 -3.1 63 62 A V H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 113.8 46.3 -61.9 -45.3 26.4 -39.3 0.7 64 63 A D H < S+ 0 0 126 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.887 109.7 55.6 -64.7 -38.4 23.0 -37.5 0.4 65 64 A E H < S+ 0 0 88 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.870 119.4 30.2 -61.5 -39.0 22.0 -39.9 -2.3 66 65 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 -5,-0.1 3,-0.5 0.652 91.6 94.0 -98.0 -18.3 22.6 -43.0 -0.1 67 66 A D H X S+ 0 0 25 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.857 85.3 47.9 -45.5 -55.7 21.9 -41.8 3.4 68 67 A N H > S+ 0 0 120 -4,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.891 115.6 45.9 -56.4 -41.1 18.3 -42.8 3.9 69 68 A Q H > S+ 0 0 61 -3,-0.5 4,-0.7 -4,-0.2 3,-0.3 0.896 112.9 49.8 -68.8 -40.8 18.9 -46.2 2.5 70 69 A M H >< S+ 0 0 3 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.894 105.2 57.7 -64.7 -39.3 22.0 -46.7 4.6 71 70 A R H 3< S+ 0 0 153 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.7 52.7 -60.0 -31.8 20.1 -45.6 7.7 72 71 A E H 3< S- 0 0 154 -4,-1.1 -68,-0.5 -3,-0.3 -1,-0.3 0.664 107.5-140.1 -79.0 -17.3 17.6 -48.4 7.1 73 72 A G << + 0 0 17 -3,-1.0 -67,-0.2 -4,-0.7 -1,-0.1 0.037 65.9 97.5 82.7 168.4 20.4 -51.0 6.9 74 73 A G + 0 0 6 -69,-0.6 -43,-2.5 -70,-0.4 2,-0.4 0.813 56.2 133.9 81.8 35.6 21.2 -54.1 4.7 75 74 A V E - c 0 31A 2 -70,-0.4 -68,-2.7 -45,-0.2 2,-0.6 -0.949 43.6-156.7-124.9 137.3 23.5 -52.5 2.2 76 75 A I E -ac 7 32A 0 -45,-3.5 -43,-3.3 -2,-0.4 2,-0.4 -0.947 21.3-160.1-108.4 113.0 26.9 -53.7 0.8 77 76 A V E -ac 8 33A 0 -70,-3.2 -68,-3.1 -2,-0.6 2,-0.5 -0.829 5.0-163.0-101.8 134.4 28.8 -50.6 -0.5 78 77 A D E +ac 9 34A 6 -45,-2.8 -43,-2.6 -2,-0.4 -42,-0.4 -0.957 28.0 131.1-120.0 117.9 31.6 -50.9 -2.9 79 78 A Y - 0 0 27 -70,-1.9 2,-0.4 -2,-0.5 -68,-0.4 -0.949 56.3-128.3-165.1 146.2 34.2 -48.1 -3.5 80 79 A H S S+ 0 0 85 -2,-0.3 2,-0.3 -70,-0.2 -70,-0.1 -0.161 96.9 51.5 -87.3 39.3 37.9 -47.5 -3.7 81 80 A G + 0 0 6 -2,-0.4 48,-0.0 -69,-0.1 -2,-0.0 -0.940 48.9 165.6-165.5 153.5 37.6 -44.7 -1.2 82 81 A C > + 0 0 0 -2,-0.3 3,-1.0 -72,-0.1 -1,-0.1 0.454 51.5 95.0-154.1 -9.3 36.0 -44.4 2.3 83 82 A D T 3 S+ 0 0 92 1,-0.2 4,-0.1 54,-0.0 -2,-0.0 0.723 88.3 51.9 -66.4 -19.9 37.1 -41.3 4.2 84 83 A F T 3 S+ 0 0 32 2,-0.1 -1,-0.2 3,-0.0 -21,-0.1 0.570 84.8 99.9 -93.7 -8.2 34.0 -39.3 3.1 85 84 A F S < S- 0 0 9 -3,-1.0 2,-0.1 1,-0.1 5,-0.1 -0.521 88.8-100.3 -75.8 142.7 31.3 -41.8 4.1 86 85 A P > - 0 0 30 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.425 29.0-131.5 -60.8 136.3 29.7 -41.0 7.5 87 86 A E G > S+ 0 0 108 1,-0.3 3,-1.0 2,-0.2 51,-0.1 0.863 103.1 65.4 -58.8 -35.0 31.3 -43.3 10.0 88 87 A R G 3 S+ 0 0 139 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.666 84.8 77.7 -61.5 -19.2 27.9 -44.4 11.4 89 88 A W G < S+ 0 0 2 -3,-1.6 2,-0.4 1,-0.1 -1,-0.2 0.868 86.8 60.1 -60.4 -41.9 27.1 -46.0 8.0 90 89 A F < - 0 0 9 -3,-1.0 -83,-0.2 -4,-0.4 3,-0.1 -0.776 45.2-175.1-106.7 139.9 29.1 -49.2 8.4 91 90 A H S S+ 0 0 68 -85,-2.2 2,-0.3 -2,-0.4 -84,-0.2 0.636 86.6 11.0 -92.9 -21.1 29.0 -52.0 11.0 92 91 A I E -b 7 0A 5 -86,-0.9 -84,-1.9 2,-0.0 2,-0.4 -0.983 65.4-153.2-157.0 148.5 32.1 -53.6 9.4 93 92 A V E -bd 8 142A 0 48,-3.1 50,-2.6 -2,-0.3 2,-0.5 -0.988 5.6-165.3-131.2 125.1 34.7 -52.7 6.9 94 93 A F E -bd 9 143A 13 -86,-2.9 -84,-2.8 -2,-0.4 2,-0.7 -0.940 4.8-160.9-112.9 125.8 36.7 -55.0 4.7 95 94 A V E -bd 10 144A 1 48,-2.9 50,-2.5 -2,-0.5 2,-0.3 -0.912 17.6-145.0-103.9 107.0 39.8 -53.8 2.9 96 95 A L E - d 0 145A 0 -86,-2.7 2,-0.4 -2,-0.7 -84,-0.4 -0.584 16.3-162.4 -75.3 133.6 40.5 -56.3 0.1 97 96 A R E - d 0 146A 47 48,-3.1 50,-2.6 -2,-0.3 2,-0.4 -0.943 8.6-172.4-119.9 139.5 44.2 -56.8 -0.6 98 97 A T - 0 0 3 -2,-0.4 50,-0.1 48,-0.2 5,-0.1 -0.997 35.5-102.8-132.9 134.1 45.8 -58.3 -3.7 99 98 A D > - 0 0 107 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.261 36.6-120.3 -52.7 139.4 49.5 -59.1 -4.1 100 99 A T H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 111.7 51.1 -53.2 -42.9 51.1 -56.4 -6.3 101 100 A N H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 113.4 45.1 -62.4 -45.1 52.1 -58.8 -9.0 102 101 A V H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 112.9 50.9 -64.5 -42.7 48.6 -60.3 -9.2 103 102 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.892 106.4 54.8 -63.2 -40.9 46.9 -56.8 -9.1 104 103 A Y H X S+ 0 0 86 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.920 107.9 49.1 -57.9 -47.2 49.1 -55.5 -12.0 105 104 A E H X S+ 0 0 93 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.896 111.5 50.1 -59.9 -43.6 48.1 -58.4 -14.2 106 105 A R H X S+ 0 0 67 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.933 114.0 42.9 -62.1 -48.9 44.4 -57.8 -13.5 107 106 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 -1,-0.2 0.843 113.0 52.8 -68.6 -32.9 44.5 -54.1 -14.2 108 107 A E H ><5S+ 0 0 93 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.944 108.2 51.1 -66.5 -45.2 46.7 -54.6 -17.3 109 108 A T H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 102.2 61.2 -60.5 -29.4 44.1 -57.1 -18.5 110 109 A R T 3<5S- 0 0 141 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.495 124.0-107.1 -76.1 -2.8 41.4 -54.5 -17.9 111 110 A G T < 5 + 0 0 63 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.767 58.2 168.0 84.5 26.3 43.2 -52.3 -20.4 112 111 A Y < - 0 0 47 -5,-2.1 -1,-0.2 1,-0.1 2,-0.0 -0.514 30.5-128.7 -73.3 141.0 44.8 -49.8 -18.0 113 112 A N > - 0 0 83 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.229 32.8 -91.9 -79.4 176.9 47.4 -47.6 -19.6 114 113 A E H > S+ 0 0 159 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 125.1 51.1 -58.0 -41.9 50.9 -47.2 -18.1 115 114 A K H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 113.8 41.4 -63.0 -51.2 49.8 -44.1 -16.1 116 115 A K H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.870 114.0 55.0 -65.5 -36.4 46.8 -45.7 -14.5 117 116 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.947 111.2 43.3 -60.9 -49.9 48.7 -48.9 -13.9 118 117 A T H X S+ 0 0 65 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.897 112.6 52.6 -64.5 -42.3 51.4 -47.1 -12.0 119 118 A D H X S+ 0 0 61 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.932 116.2 39.2 -59.9 -47.0 49.0 -44.9 -10.0 120 119 A N H X S+ 0 0 25 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.857 112.3 55.4 -73.0 -35.9 47.0 -47.9 -8.8 121 120 A I H X S+ 0 0 29 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.890 111.8 44.5 -65.5 -37.2 50.0 -50.2 -8.3 122 121 A Q H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 6,-0.2 0.859 107.6 59.1 -73.6 -34.2 51.5 -47.6 -6.0 123 122 A C H <>S+ 0 0 26 -4,-1.6 5,-2.2 -5,-0.2 6,-0.4 0.913 113.6 39.2 -59.1 -40.8 48.2 -47.1 -4.3 124 123 A E H ><5S+ 0 0 4 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.939 115.2 49.0 -75.3 -49.1 48.2 -50.8 -3.4 125 124 A I H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.799 113.5 49.1 -63.9 -25.5 51.9 -51.1 -2.5 126 125 A F T 3<5S- 0 0 133 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.514 107.1-132.4 -87.1 -8.2 51.6 -48.0 -0.3 127 126 A Q T <>5 + 0 0 85 -3,-1.5 4,-2.0 -5,-0.2 5,-0.2 0.849 46.6 161.3 58.7 38.0 48.5 -49.6 1.3 128 127 A V H >< + 0 0 57 -5,-2.2 4,-2.5 -6,-0.2 5,-0.2 0.910 68.0 45.3 -55.0 -52.1 46.7 -46.3 0.9 129 128 A L H > S+ 0 0 7 -6,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.866 110.5 53.7 -64.6 -37.4 43.1 -47.7 1.2 130 129 A Y H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 112.8 44.7 -62.4 -42.1 44.0 -49.8 4.2 131 130 A E H X S+ 0 0 114 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.892 112.0 52.0 -67.3 -41.6 45.4 -46.7 5.9 132 131 A E H X S+ 0 0 41 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.911 111.2 48.1 -61.7 -42.5 42.4 -44.6 4.9 133 132 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.5 0.955 111.6 47.6 -64.0 -51.1 40.0 -47.2 6.3 134 133 A T H < S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.8 49.2 -60.5 -32.5 41.8 -47.6 9.7 135 134 A A H < S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.766 116.3 42.5 -77.3 -25.0 41.9 -43.8 10.0 136 135 A S H < S+ 0 0 28 -4,-1.4 2,-0.3 -3,-0.5 -2,-0.2 0.703 119.2 32.3 -94.9 -23.5 38.2 -43.4 9.2 137 136 A Y S < S- 0 0 6 -4,-2.3 5,-0.1 -5,-0.1 2,-0.1 -0.894 95.5 -81.7-132.6 163.2 36.8 -46.3 11.2 138 137 A K > - 0 0 112 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.392 38.9-128.4 -63.0 136.3 37.5 -48.0 14.5 139 138 A E G > S+ 0 0 170 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.767 104.1 69.8 -59.8 -24.5 40.2 -50.6 14.0 140 139 A E G 3 S+ 0 0 127 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.733 105.3 39.6 -66.1 -22.4 38.1 -53.2 15.7 141 140 A I G < S+ 0 0 34 -3,-1.9 -48,-3.1 -49,-0.1 2,-0.5 0.411 97.3 91.6-107.2 1.9 35.7 -53.2 12.7 142 141 A V E < +d 93 0A 14 -3,-0.8 2,-0.4 -4,-0.5 -48,-0.2 -0.854 52.2 175.5 -99.4 129.4 38.3 -52.9 9.9 143 142 A H E -d 94 0A 76 -50,-2.6 -48,-2.9 -2,-0.5 2,-0.4 -0.997 25.2-137.1-137.6 133.9 39.6 -56.2 8.4 144 143 A Q E -d 95 0A 80 -2,-0.4 -48,-0.2 -50,-0.2 -50,-0.0 -0.718 20.5-161.6 -88.4 137.4 42.0 -56.9 5.6 145 144 A L E -d 96 0A 20 -50,-2.5 -48,-3.1 -2,-0.4 2,-0.1 -0.973 17.4-128.9-122.8 122.7 41.0 -59.7 3.2 146 145 A P E +d 97 0A 67 0, 0.0 -48,-0.2 0, 0.0 10,-0.1 -0.480 29.3 177.2 -67.6 138.1 43.4 -61.5 0.9 147 146 A S + 0 0 9 -50,-2.6 -130,-0.0 -2,-0.1 -2,-0.0 -0.555 34.0 116.7-145.1 74.1 41.9 -61.5 -2.6 148 147 A N S S+ 0 0 24 1,-0.2 -1,-0.1 -50,-0.1 -50,-0.1 0.482 74.2 18.5-118.9 -9.2 44.2 -63.1 -5.1 149 148 A K S >> S- 0 0 114 -3,-0.1 4,-2.0 1,-0.1 3,-1.3 -0.991 81.5 -96.4-159.7 161.1 42.4 -66.2 -6.4 150 149 A P H 3> S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.834 120.8 59.7 -48.3 -36.9 39.0 -67.9 -6.7 151 150 A E H 3> S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.862 106.7 44.2 -62.8 -38.8 39.8 -69.8 -3.6 152 151 A E H <> S+ 0 0 40 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.854 110.2 55.3 -75.9 -34.1 40.2 -66.7 -1.5 153 152 A L H X S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.928 109.4 48.6 -61.0 -42.9 37.1 -65.1 -3.0 154 153 A E H X S+ 0 0 119 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.895 110.9 49.1 -63.6 -42.0 35.3 -68.2 -1.8 155 154 A N H X S+ 0 0 72 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.874 111.8 50.1 -65.5 -36.8 36.7 -68.0 1.7 156 155 A N H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.923 110.1 48.6 -67.6 -46.0 35.7 -64.3 1.8 157 156 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.928 113.9 47.7 -58.8 -46.8 32.2 -65.0 0.7 158 157 A D H X S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.926 113.6 45.9 -62.2 -47.7 31.9 -67.8 3.3 159 158 A Q H X S+ 0 0 115 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.899 115.0 46.5 -65.6 -39.8 33.3 -65.7 6.2 160 159 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.898 109.8 53.1 -71.2 -37.8 31.2 -62.7 5.4 161 160 A L H X S+ 0 0 44 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.903 111.5 47.4 -62.7 -38.8 28.0 -64.6 5.0 162 161 A K H X S+ 0 0 110 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.866 110.1 52.1 -69.5 -36.1 28.6 -66.2 8.4 163 162 A W H X S+ 0 0 67 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 109.7 50.4 -63.7 -43.9 29.4 -62.8 9.9 164 163 A I H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.919 109.1 50.4 -60.4 -45.9 26.1 -61.5 8.5 165 164 A E H X S+ 0 0 145 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.930 112.9 45.6 -60.0 -46.7 24.1 -64.4 10.0 166 165 A Q H X S+ 0 0 94 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.900 112.5 51.6 -64.1 -40.7 25.7 -63.9 13.5 167 166 A W H X S+ 0 0 24 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.919 108.5 50.3 -62.8 -45.0 25.1 -60.1 13.3 168 167 A I H < S+ 0 0 39 -4,-2.6 -1,-0.2 2,-0.2 -165,-0.2 0.916 112.5 47.6 -60.5 -42.0 21.5 -60.5 12.4 169 168 A K H >< S+ 0 0 144 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.956 112.5 48.2 -62.9 -50.9 20.9 -62.9 15.3 170 169 A D H 3< S+ 0 0 91 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.749 116.9 43.5 -62.0 -26.2 22.7 -60.6 17.8 171 170 A H T 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -168,-0.2 0.142 109.3 54.2-110.8 19.8 20.8 -57.6 16.7 172 171 A N < 0 0 48 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.414 360.0 360.0-144.2 57.1 17.3 -59.0 16.4 173 172 A S 0 0 162 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.1 0.880 360.0 360.0 -75.8 360.0 16.9 -60.5 19.9