==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUN-10 3AK3 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN/FE]; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR T.NAKAMURA,K.UEGAKI . 843 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 4 0.5 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.6 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 4 0 0 0 4 4 0 4 0 4 4 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 10 0 0 0 0 4 0 4 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 0 0 0 2 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 1 A M 0 0 82 0, 0.0 2,-0.4 0, 0.0 316,-0.2 0.000 360.0 360.0 360.0 140.8 13.4 4.6 53.2 2 2 A V - 0 0 87 315,-3.0 3,-0.1 314,-0.1 318,-0.1 -0.985 360.0-108.9-121.9 132.5 17.1 4.1 52.7 3 3 A S - 0 0 52 -2,-0.4 3,-0.1 1,-0.1 45,-0.1 -0.312 49.4 -93.5 -58.4 139.4 19.3 6.5 50.8 4 4 A F - 0 0 20 43,-0.1 2,-0.5 314,-0.1 -1,-0.1 -0.075 35.9-106.1 -55.8 150.4 20.5 5.1 47.5 5 5 A K - 0 0 109 -3,-0.1 -1,-0.1 345,-0.1 2,-0.1 -0.715 42.8-127.6 -76.7 125.1 23.8 3.3 47.1 6 6 A R - 0 0 97 -2,-0.5 2,-0.2 1,-0.1 -1,-0.0 -0.417 13.3-118.0 -75.2 146.0 26.1 5.7 45.2 7 7 A Y - 0 0 8 33,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.505 31.4-155.1 -73.4 151.1 28.0 4.7 42.1 8 8 A E - 0 0 144 -2,-0.2 29,-0.0 36,-0.0 0, 0.0 -0.979 20.5-111.3-131.8 146.1 31.8 4.9 42.5 9 9 A L - 0 0 52 -2,-0.3 28,-0.1 28,-0.0 23,-0.0 -0.657 36.5-139.9 -73.1 117.3 34.6 5.4 39.9 10 10 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.486 17.4-113.6 -74.8 151.4 36.5 2.1 39.7 11 11 A P - 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.407 38.5-100.2 -70.2 161.4 40.3 2.2 39.4 12 12 A L - 0 0 23 2,-0.2 4,-0.1 1,-0.1 71,-0.0 -0.509 23.5-123.9 -72.2 154.3 41.7 1.0 36.1 13 13 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.389 94.3 20.0 -76.5 5.2 43.1 -2.6 36.1 14 14 A Y S S- 0 0 25 73,-0.1 -2,-0.2 5,-0.0 5,-0.0 -0.939 98.9 -72.0-162.4 168.2 46.4 -1.1 34.9 15 15 A N > - 0 0 121 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.293 47.3-105.8 -72.1 160.0 48.3 2.2 34.8 16 16 A Y T 3 S+ 0 0 50 1,-0.3 3,-0.3 2,-0.1 12,-0.3 0.764 121.5 43.5 -58.1 -28.9 47.4 5.0 32.4 17 17 A N T > S+ 0 0 76 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.401 85.2 99.0 -96.6 5.1 50.3 4.3 30.1 18 18 A A T < S+ 0 0 24 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.607 77.1 56.6 -70.9 -12.8 49.9 0.4 30.1 19 19 A L T >> S+ 0 0 0 -3,-0.3 4,-1.6 4,-0.3 3,-1.1 0.347 89.5 160.6-102.7 7.2 48.0 0.3 26.8 20 20 A E T <4 + 0 0 85 -3,-1.5 4,-0.1 1,-0.3 -3,-0.0 -0.399 51.8 23.8 -66.5 147.6 50.7 2.0 24.8 21 21 A P T 34 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.992 126.7 49.0 -87.5 3.9 51.4 2.2 22.0 22 22 A Y T <4 S+ 0 0 57 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.869 125.8 18.5 -76.6 -38.8 47.8 1.4 21.0 23 23 A I S < S- 0 0 2 -4,-1.6 -4,-0.3 -6,-0.1 -1,-0.3 -0.979 90.4-127.3-131.2 121.5 46.1 3.9 23.3 24 24 A I >> - 0 0 43 -2,-0.4 4,-2.0 -3,-0.2 3,-0.7 -0.280 17.9-114.8 -72.6 152.1 48.3 6.8 24.6 25 25 A E H 3> S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.834 112.3 57.4 -50.9 -43.1 48.6 7.7 28.3 26 26 A E H 3> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.877 107.6 47.2 -63.7 -39.8 46.9 11.1 27.9 27 27 A I H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.955 112.6 49.4 -62.9 -49.7 43.8 9.6 26.5 28 28 A M H X S+ 0 0 2 -4,-2.0 4,-2.0 -12,-0.3 5,-0.2 0.899 113.6 46.8 -57.3 -43.1 43.6 6.9 29.2 29 29 A K H X S+ 0 0 90 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.935 116.7 40.9 -67.0 -50.5 44.0 9.5 32.0 30 30 A L H X>S+ 0 0 20 -4,-2.3 4,-2.1 -5,-0.2 5,-1.8 0.906 114.6 54.1 -61.6 -42.9 41.5 12.0 30.6 31 31 A H H <>S+ 0 0 3 -4,-2.9 5,-2.9 -5,-0.3 -2,-0.2 0.905 118.8 33.3 -60.7 -43.2 39.0 9.3 29.7 32 32 A H H <>S+ 0 0 13 -4,-2.0 5,-1.5 -5,-0.3 -2,-0.2 0.968 125.7 36.9 -77.2 -56.7 39.1 7.8 33.3 33 33 A Q H <5S+ 0 0 62 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.772 132.2 22.5 -73.8 -30.5 39.6 10.9 35.5 34 34 A K T X5S+ 0 0 82 -4,-2.1 4,-1.8 -5,-0.4 -3,-0.2 0.867 129.5 32.1-100.7 -60.3 37.4 13.3 33.6 35 35 A H H >>S+ 0 0 75 -4,-2.9 5,-2.9 1,-0.2 6,-0.8 0.860 111.7 52.3 -63.1 -36.7 14.8 14.8 47.3 53 53 A H H ><5S+ 0 0 60 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 0.944 110.0 48.0 -58.5 -49.8 11.6 14.5 45.1 54 54 A L H 3<5S+ 0 0 12 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.772 108.6 54.6 -64.9 -27.5 10.5 11.4 47.1 55 55 A K T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.430 115.7-116.4 -85.3 -0.3 11.2 13.2 50.4 56 56 A G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.785 83.7 117.4 70.7 30.7 8.9 16.1 49.3 57 57 A E S - 0 0 55 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 -0.896 28.2-157.9 -88.7 102.8 10.8 17.0 35.9 62 62 A V H > S+ 0 0 14 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.889 88.0 49.0 -53.3 -48.0 10.6 13.2 36.0 63 63 A R H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 112.8 47.8 -58.1 -48.9 11.3 12.7 32.3 64 64 A A H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 113.1 46.6 -59.7 -49.1 14.3 15.0 32.4 65 65 A V H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.897 112.6 50.1 -66.2 -38.8 15.9 13.5 35.5 66 66 A M H X S+ 0 0 5 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.872 108.4 52.9 -68.0 -33.8 15.4 10.0 34.2 67 67 A R H X S+ 0 0 14 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.906 110.7 48.3 -62.4 -41.1 17.0 11.0 30.9 68 68 A D H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.913 113.4 47.0 -63.6 -44.9 20.0 12.3 33.0 69 69 A F H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.936 111.4 51.5 -61.6 -46.6 20.0 9.0 34.9 70 70 A S H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.951 113.1 43.5 -55.4 -54.1 19.8 6.9 31.8 71 71 A F H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.931 120.1 40.1 -61.4 -47.9 22.7 8.7 30.0 72 72 A N H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -29,-0.2 0.912 115.4 49.3 -73.8 -41.8 25.0 8.8 33.0 73 73 A Y H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.937 113.1 49.6 -57.8 -46.2 24.3 5.3 34.4 74 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.4 5,-0.3 0.925 109.8 50.3 -60.0 -46.4 24.8 4.0 30.9 75 75 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.918 112.5 49.4 -56.5 -41.4 28.1 5.9 30.6 76 76 A H H X S+ 0 0 9 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.979 113.8 41.2 -65.8 -53.2 29.2 4.4 33.9 77 77 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.903 113.7 54.0 -64.7 -37.4 28.4 0.8 33.2 78 78 A M H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.926 113.0 42.1 -65.6 -42.5 29.7 0.9 29.7 79 79 A H H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.854 108.1 61.0 -69.7 -33.2 33.1 2.2 30.9 80 80 A T H < S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.877 113.1 37.6 -59.0 -36.7 33.1 -0.2 33.8 81 81 A I H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.894 112.0 60.9 -77.6 -43.8 33.0 -3.0 31.2 82 82 A F H < S+ 0 0 1 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.864 99.3 53.5 -50.5 -48.1 35.4 -1.2 28.8 83 83 A W T >< S+ 0 0 4 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.951 113.1 38.5 -64.5 -53.9 38.4 -1.0 31.1 84 84 A P T 34 S+ 0 0 31 0, 0.0 110,-0.2 0, 0.0 -1,-0.2 0.668 102.5 74.3 -73.4 -11.6 38.8 -4.7 32.1 85 85 A N T 3< S+ 0 0 0 -4,-1.4 106,-3.1 109,-0.1 2,-0.3 0.582 99.6 57.4 -63.9 -13.3 37.8 -5.6 28.5 86 86 A M B < +A 190 0A 1 -3,-1.6 104,-0.2 104,-0.3 101,-0.0 -0.803 64.2 177.6-117.5 161.9 41.4 -4.4 27.8 87 87 A A - 0 0 2 102,-2.1 3,-0.1 -2,-0.3 -73,-0.1 -0.970 45.0 -76.4-157.0 153.7 44.8 -5.4 29.1 88 88 A P S >> S- 0 0 48 0, 0.0 4,-2.7 0, 0.0 3,-0.9 -0.252 70.6 -83.5 -53.0 141.7 48.4 -4.4 28.4 89 89 A P B 34 S+b 92 0B 54 0, 0.0 2,-0.4 0, 0.0 4,-0.2 -0.217 120.8 41.6 -53.7 138.2 49.6 -6.0 25.1 90 90 A G T 34 S+ 0 0 79 2,-2.5 99,-0.0 98,-0.3 0, 0.0 -0.691 124.6 36.9 116.4 -75.3 50.7 -9.5 25.8 91 91 A K T <4 S+ 0 0 139 -3,-0.9 101,-0.3 -2,-0.4 102,-0.3 0.822 123.8 58.3 -68.8 -34.4 47.9 -10.4 28.2 92 92 A G B < S+b 89 0B 5 -4,-2.7 -2,-2.5 99,-0.1 99,-0.2 -0.647 97.3 25.6 -93.2 154.3 45.8 -8.2 25.8 93 93 A G S S+ 0 0 14 97,-2.2 99,-0.4 -2,-0.2 95,-0.2 -0.461 72.7 87.0 94.5-167.9 45.5 -8.9 22.1 94 94 A G S S- 0 0 58 -2,-0.1 -1,-0.1 97,-0.1 96,-0.1 -0.352 82.7 -45.6 75.5-150.4 45.7 -12.2 20.2 95 95 A T - 0 0 101 -2,-0.1 6,-0.1 97,-0.0 -1,-0.0 -0.980 53.2-117.8-132.3 129.6 43.0 -14.7 19.5 96 96 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.202 26.6-177.4 -66.4 154.1 40.4 -16.1 21.9 97 97 A G > + 0 0 47 95,-0.1 4,-2.0 4,-0.0 3,-0.4 -0.379 46.0 47.5-120.1-153.9 39.9 -19.7 23.0 98 98 A G H > S- 0 0 55 1,-0.2 4,-1.7 2,-0.2 98,-0.0 -0.056 117.5 -23.0 58.1-150.2 37.4 -21.4 25.2 99 99 A R H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.856 135.3 58.9 -66.4 -37.8 33.7 -20.8 25.0 100 100 A V H > S+ 0 0 1 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.932 107.9 46.0 -56.7 -48.6 34.1 -17.4 23.3 101 101 A A H X S+ 0 0 31 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.893 110.8 54.9 -60.6 -39.8 36.0 -19.0 20.4 102 102 A D H X S+ 0 0 58 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.938 111.4 41.6 -61.7 -48.3 33.4 -21.7 20.2 103 103 A L H X S+ 0 0 19 -4,-2.5 4,-2.0 1,-0.2 5,-0.4 0.877 111.7 56.2 -69.0 -36.3 30.4 -19.4 19.8 104 104 A I H X S+ 0 0 2 -4,-2.4 6,-1.8 -5,-0.3 4,-1.7 0.900 109.9 47.2 -60.3 -39.1 32.4 -17.2 17.4 105 105 A E H X S+ 0 0 102 -4,-2.2 4,-0.8 4,-0.2 -2,-0.2 0.928 115.7 43.1 -63.8 -47.5 33.0 -20.2 15.2 106 106 A K H < S+ 0 0 93 -4,-2.1 107,-3.7 106,-0.2 108,-2.8 0.728 126.4 28.9 -75.3 -24.2 29.3 -21.4 15.3 107 107 A Q H < S+ 0 0 10 -4,-2.0 -3,-0.2 105,-0.2 -2,-0.2 0.806 130.6 27.8-108.0 -40.6 27.7 -18.0 14.8 108 108 A F H < S- 0 0 11 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.426 105.0-109.9-107.5 -1.4 30.1 -15.8 12.8 109 109 A G S < S- 0 0 21 -4,-0.8 -4,-0.2 -5,-0.4 4,-0.2 0.788 80.0 -36.5 74.3 29.9 31.9 -18.5 10.9 110 110 A G S > S- 0 0 7 -6,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.298 80.3 -64.7 110.4 169.0 35.1 -18.0 12.8 111 111 A F H > S+ 0 0 28 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.850 123.8 52.2 -62.2 -41.1 37.3 -15.3 14.4 112 112 A E H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 111.9 45.8 -67.6 -39.9 38.2 -13.4 11.3 113 113 A K H > S+ 0 0 86 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 115.0 48.4 -66.1 -44.1 34.6 -13.0 10.1 114 114 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.946 111.4 50.0 -58.0 -50.1 33.6 -12.0 13.6 115 115 A K H X S+ 0 0 52 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.876 109.8 50.7 -58.6 -40.5 36.4 -9.5 13.8 116 116 A A H X S+ 0 0 63 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.884 114.0 44.5 -64.2 -40.5 35.5 -7.9 10.5 117 117 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.927 114.5 46.9 -71.9 -47.7 31.9 -7.5 11.5 118 118 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.913 113.4 50.3 -58.4 -45.1 32.6 -6.2 14.9 119 119 A S H X S+ 0 0 4 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.911 111.2 48.8 -60.7 -41.7 35.2 -3.8 13.4 120 120 A A H X S+ 0 0 28 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.921 110.6 50.3 -63.8 -46.8 32.6 -2.6 10.8 121 121 A A H < S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.935 114.6 44.6 -56.3 -45.9 30.0 -2.1 13.5 122 122 A A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.927 113.8 48.4 -65.4 -45.5 32.4 -0.0 15.5 123 123 A K H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 111.6 50.3 -65.6 -32.1 33.7 2.0 12.6 124 124 A T T 3< S+ 0 0 50 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.294 70.7 133.0 -97.4 8.7 30.2 2.9 11.3 125 125 A V < - 0 0 4 -3,-1.1 2,-0.7 -4,-0.3 4,-0.1 -0.426 62.1-124.8 -54.8 127.8 28.7 4.1 14.6 126 126 A E S S- 0 0 6 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.734 74.0 -25.5 -84.9 115.1 27.0 7.3 13.5 127 127 A G S S- 0 0 7 -2,-0.7 2,-0.2 21,-0.1 -2,-0.0 -0.622 122.1 -14.5 76.5-142.7 28.3 10.1 15.7 128 128 A V S S+ 0 0 3 -2,-0.3 21,-2.5 39,-0.1 2,-0.3 -0.635 88.3 90.8 -97.3 150.4 29.6 8.9 19.1 129 129 A G E -C 148 0C 0 19,-0.3 37,-2.9 -2,-0.2 38,-0.4 -0.961 58.2 -65.3 166.9-146.1 28.9 5.5 20.6 130 130 A W E -CD 147 165C 0 17,-2.8 17,-2.1 -2,-0.3 2,-0.5 -0.984 18.0-134.3-145.2 143.2 30.0 1.9 21.1 131 131 A G E -CD 146 164C 0 33,-2.1 33,-2.2 -2,-0.3 2,-0.4 -0.901 38.5-162.0 -93.7 132.1 30.6 -1.4 19.2 132 132 A V E -CD 145 163C 0 13,-2.7 13,-2.3 -2,-0.5 2,-0.6 -0.968 26.9-167.5-129.2 126.9 29.0 -4.1 21.3 133 133 A L E -CD 144 162C 0 29,-3.1 28,-3.2 -2,-0.4 29,-1.8 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L H X>S+ 0 0 26 -4,-2.6 5,-2.1 1,-0.2 4,-2.0 0.919 116.2 53.6 -61.4 -43.9 -3.9 -6.6 17.7 242 31 B H H <>S+ 0 0 2 -4,-3.1 5,-2.5 -5,-0.3 -1,-0.2 0.882 120.4 30.3 -62.6 -43.1 -1.1 -6.0 20.1 243 32 B H H <>S+ 0 0 9 -4,-2.1 5,-1.3 -5,-0.3 -2,-0.2 0.947 125.8 39.3 -80.6 -54.0 -0.1 -9.6 20.3 244 33 B Q H <5S+ 0 0 99 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.746 132.8 19.4 -75.0 -26.7 -1.0 -11.1 16.9 245 34 B K T X5S+ 0 0 110 -4,-2.0 4,-1.9 -5,-0.4 -3,-0.2 0.810 129.2 35.3-107.4 -61.4 0.1 -8.1 14.8 246 35 B H H >>S+ 0 0 77 -4,-2.2 5,-2.2 1,-0.2 6,-1.2 0.861 112.0 52.5 -61.3 -36.1 24.1 -13.6 4.3 264 53 B H H ><5S+ 0 0 23 -4,-2.4 3,-1.3 4,-0.2 -1,-0.2 0.933 110.1 47.4 -60.0 -49.6 26.6 -10.8 4.9 265 54 B L H 3<5S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.795 108.3 54.5 -64.7 -33.7 28.9 -13.2 6.9 266 55 B K T 3<5S- 0 0 103 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.460 115.0-119.6 -77.0 -2.6 28.6 -15.9 4.2 267 56 B G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 2,-0.3 -2,-0.1 0.609 82.1 121.8 72.4 13.6 29.8 -13.3 1.7 268 57 B E 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-33,-2.4 -33,-2.0 -2,-0.4 2,-0.6 -0.994 19.3-136.7-121.4 128.5 1.8 12.9 6.5 801 165 D D E +S 766 0H 0 -2,-0.5 -35,-0.2 -35,-0.2 -43,-0.0 -0.722 24.6 173.9 -78.6 114.7 1.4 12.2 10.2 802 166 D V + 0 0 0 -37,-2.9 -36,-0.2 -2,-0.6 -1,-0.1 0.088 32.3 129.9-114.3 22.4 2.0 8.5 10.8 803 167 D W S > S- 0 0 7 -38,-0.4 3,-1.8 -39,-0.2 4,-0.3 -0.471 73.6-112.6 -56.9 147.0 1.8 8.6 14.6 804 168 D E G >> S+ 0 0 7 1,-0.3 4,-2.9 2,-0.2 3,-1.7 0.851 115.2 63.0 -57.9 -36.2 -0.6 5.9 15.7 805 169 D H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.685 91.6 68.7 -62.6 -17.9 -3.2 8.4 16.9 806 170 D A G <4 S- 0 0 2 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.662 125.0 -0.6 -74.7 -16.8 -3.5 9.6 13.3 807 171 D Y T X>>S+ 0 0 6 -3,-1.7 4,-3.1 -4,-0.3 3,-1.4 0.542 98.1 100.3-145.4 -17.8 -5.1 6.4 12.1 808 172 D Y H 3X5S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.3 -3,-0.1 0.804 80.9 55.4 -60.3 -38.4 -5.6 3.7 14.8 809 173 D L H 345S+ 0 0 24 -4,-0.2 -1,-0.3 -5,-0.2 -4,-0.1 0.781 125.7 23.9 -63.8 -26.0 -9.3 4.2 15.7 810 174 D Q H <45S+ 0 0 52 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.840 136.6 27.0-103.3 -54.6 -10.1 3.7 12.0 811 175 D Y H ><5S- 0 0 30 -4,-3.1 3,-2.1 1,-0.3 -3,-0.2 0.435 85.7-158.8 -93.1 -0.4 -7.3 1.6 10.4 812 176 D K T 3< + 0 0 71 -3,-2.1 4,-1.4 1,-0.2 3,-0.3 -0.428 32.5 158.8 -80.3 73.6 -2.8 -1.0 9.3 815 179 D R H > S+ 0 0 30 -2,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.845 70.7 65.2 -58.4 -35.5 -0.8 2.1 8.7 816 180 D G H > S+ 0 0 21 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 102.1 45.5 -55.7 -47.5 -0.3 1.0 5.1 817 181 D S H > S+ 0 0 44 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.852 111.8 52.9 -66.2 -35.6 -4.0 1.3 4.3 818 182 D Y H X S+ 0 0 2 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.927 110.3 47.8 -63.9 -44.5 -4.2 4.7 6.0 819 183 D V H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.919 111.7 49.2 -63.9 -45.6 -1.3 6.0 3.9 820 184 D E H < S+ 0 0 86 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.900 115.0 45.7 -57.0 -42.4 -2.9 4.7 0.7 821 185 D N H >< S+ 0 0 49 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.797 99.6 68.5 -72.1 -32.1 -6.2 6.4 1.7 822 186 D W H >< S+ 0 0 1 -4,-2.1 3,-2.4 1,-0.3 4,-0.4 0.825 84.9 70.5 -59.3 -34.6 -4.5 9.7 2.7 823 187 D W G >< S+ 0 0 8 -4,-1.0 3,-0.9 -3,-0.4 -1,-0.3 0.794 88.3 66.1 -52.7 -28.9 -3.6 10.4 -0.9 824 188 D N G < S+ 0 0 64 -3,-1.6 -1,-0.3 -4,-0.3 -98,-0.2 0.484 106.1 39.9 -76.5 -2.9 -7.3 11.0 -1.6 825 189 D V G < S+ 0 0 0 -3,-2.4 -102,-2.5 -97,-0.1 -1,-0.2 0.320 79.9 131.5-124.4 6.8 -7.4 14.1 0.6 826 190 D V B < -U 722 0I 0 -3,-0.9 -97,-2.5 -4,-0.4 2,-1.2 -0.416 53.5-139.8 -63.8 130.6 -4.1 15.7 -0.3 827 191 D N >> - 0 0 12 -106,-3.4 4,-1.8 -99,-0.2 3,-0.6 -0.742 22.7-179.5 -94.0 86.6 -4.5 19.4 -1.0 828 192 D W H 3> S+ 0 0 15 -2,-1.2 4,-2.3 -101,-0.4 -1,-0.2 0.722 78.4 59.1 -65.3 -23.4 -2.2 19.8 -4.0 829 193 D D H 3> S+ 0 0 100 -102,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.889 106.3 49.2 -68.7 -40.0 -3.0 23.5 -4.3 830 194 D D H <> S+ 0 0 21 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.933 111.4 48.4 -60.7 -48.0 -1.7 24.0 -0.8 831 195 D V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.911 110.8 52.5 -58.8 -43.7 1.4 22.0 -1.6 832 196 D E H X S+ 0 0 27 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 107.4 50.5 -58.4 -46.8 1.9 24.2 -4.7 833 197 D K H X S+ 0 0 130 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.911 111.3 50.0 -57.6 -44.3 1.6 27.4 -2.8 834 198 D R H X S+ 0 0 42 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.878 110.0 49.0 -63.7 -41.4 4.3 26.2 -0.3 835 199 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.875 109.9 52.5 -65.6 -37.9 6.7 25.1 -3.1 836 200 D E H X S+ 0 0 85 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.929 111.2 45.9 -63.6 -46.3 6.3 28.5 -4.8 837 201 D Q H X S+ 0 0 72 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.915 112.8 51.6 -60.1 -44.5 7.1 30.3 -1.5 838 202 D A H X>S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.5 0.890 108.5 49.9 -60.9 -43.5 10.0 28.0 -1.0 839 203 D L H <5S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 118.1 41.8 -62.5 -35.7 11.4 28.7 -4.5 840 204 D N H <5S+ 0 0 110 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.855 131.3 16.2 -76.2 -39.4 11.1 32.4 -3.8 841 205 D N H <5S+ 0 0 18 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.685 103.2 74.8-116.0 -26.1 12.4 32.6 -0.2 842 206 D A T <5S+ 0 0 0 -4,-1.9 4,-0.2 -5,-0.4 3,-0.2 0.935 89.8 52.0 -69.1 -54.0 14.3 29.6 1.0 843 207 D K S >