==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUN-12 4FFK . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDILOBUS SACCHAROVORANS; . AUTHOR T.N SAFONOVA,E.S.SLUTSKAYA,P.V.DOROVATOVSKY,E.YU.BEZSUDNOVA, . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 12 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 1 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 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 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 12 A S 0 0 147 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.8 27.7 -6.1 -27.9 2 13 A V - 0 0 123 2,-0.0 2,-0.4 54,-0.0 54,-0.1 -0.747 360.0-139.7 -92.0 119.3 29.2 -2.6 -27.9 3 14 A V + 0 0 42 -2,-0.6 2,-0.5 49,-0.2 53,-0.1 -0.587 22.4 177.3 -77.8 127.4 30.2 -1.3 -24.5 4 15 A S - 0 0 106 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.908 18.7-154.2-126.1 104.3 29.5 2.3 -23.6 5 16 A L - 0 0 49 -2,-0.5 2,-0.5 43,-0.1 47,-0.0 -0.566 19.1-117.5 -80.7 144.1 30.6 2.9 -20.0 6 17 A K - 0 0 165 -2,-0.2 2,-0.1 1,-0.0 -1,-0.1 -0.700 35.3-146.7 -82.7 121.5 28.9 5.7 -18.1 7 18 A R - 0 0 70 -2,-0.5 2,-0.3 1,-0.1 35,-0.1 -0.326 15.3-100.4 -87.0 172.4 31.6 8.3 -17.2 8 19 A Y - 0 0 62 33,-0.3 2,-0.4 -2,-0.1 -1,-0.1 -0.632 27.0-154.8 -97.9 147.3 31.8 10.5 -14.1 9 20 A E - 0 0 132 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.957 24.4-114.5-119.7 150.1 30.9 14.1 -13.7 10 21 A L - 0 0 51 -2,-0.4 3,-0.1 24,-0.0 28,-0.1 -0.670 35.9-136.8 -77.8 113.2 32.1 16.6 -11.3 11 22 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.368 25.1-101.4 -68.6 149.8 29.2 17.5 -9.1 12 23 A P - 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.447 42.9 -95.8 -65.9 143.4 28.7 21.2 -8.3 13 24 A L - 0 0 16 1,-0.1 4,-0.1 -2,-0.1 73,-0.0 -0.305 33.3-126.2 -47.8 139.7 29.9 22.4 -4.8 14 25 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.186 90.3 17.8 -80.7 20.6 26.8 22.3 -2.5 15 26 A Y S S- 0 0 27 74,-0.1 -2,-0.1 75,-0.0 2,-0.1 -0.926 102.8 -71.3-174.2 165.7 27.4 26.0 -1.6 16 27 A N > - 0 0 98 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.349 53.4-101.2 -72.6 165.9 29.3 28.9 -3.0 17 28 A Y T 3 S+ 0 0 68 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.581 120.3 45.1 -71.1 -16.4 33.0 28.9 -2.8 18 29 A D T > S+ 0 0 98 1,-0.1 3,-1.4 2,-0.1 -1,-0.3 0.312 82.0 104.2-104.4 13.8 33.4 31.2 0.1 19 30 A A T < S+ 0 0 12 -3,-1.9 72,-1.6 1,-0.3 73,-0.3 0.755 81.1 48.3 -63.6 -25.2 30.6 29.4 2.1 20 31 A L T >> S+ 0 0 0 4,-0.2 4,-1.6 70,-0.2 3,-1.3 0.428 91.9 160.9-100.5 0.5 33.1 27.7 4.4 21 32 A E T <4 + 0 0 79 -3,-1.4 70,-0.4 1,-0.3 4,-0.1 -0.276 55.1 21.2 -58.6 149.1 35.2 30.8 5.2 22 33 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.959 128.1 49.5 -87.2 9.7 37.1 31.4 7.4 23 34 A I T <4 S+ 0 0 8 -3,-1.3 2,-0.4 1,-0.3 -2,-0.2 0.941 126.5 16.6 -76.2 -46.0 37.7 27.6 8.0 24 35 A I S < S- 0 0 0 -4,-1.6 -1,-0.3 163,-0.1 -4,-0.2 -0.995 89.9-126.3-129.0 127.9 38.3 26.7 4.4 25 36 A S > - 0 0 14 -2,-0.4 4,-2.8 -3,-0.2 5,-0.1 -0.191 14.8-123.1 -72.8 152.1 39.1 29.3 1.9 26 37 A A H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.864 117.5 56.2 -51.5 -41.5 37.4 30.0 -1.3 27 38 A E H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.928 106.3 47.8 -60.2 -50.4 40.8 29.5 -2.8 28 39 A T H > S+ 0 0 1 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.935 111.4 51.6 -56.4 -45.4 41.1 26.1 -1.3 29 40 A L H X>S+ 0 0 0 -4,-2.8 4,-2.9 -12,-0.3 5,-0.6 0.891 109.5 49.9 -58.3 -39.5 37.6 25.3 -2.6 30 41 A R H X>S+ 0 0 113 -4,-2.3 4,-1.8 3,-0.2 5,-0.5 0.961 119.3 36.1 -64.2 -51.1 38.6 26.4 -6.1 31 42 A Y H X>S+ 0 0 102 -4,-2.7 5,-2.6 3,-0.2 4,-1.4 0.956 122.3 45.7 -64.4 -48.6 41.8 24.3 -6.2 32 43 A H H <>S+ 0 0 1 -4,-3.6 5,-2.8 -5,-0.3 -3,-0.2 0.930 125.2 27.7 -67.6 -44.3 40.3 21.4 -4.2 33 44 A H H <>S+ 0 0 4 -4,-2.9 5,-1.1 -5,-0.4 -3,-0.2 0.943 127.7 36.8 -83.5 -46.9 37.0 21.1 -6.0 34 45 A D H <S+ 0 0 76 -4,-2.5 5,-2.4 1,-0.2 6,-1.2 0.940 113.7 46.7 -63.4 -48.0 38.5 0.6 -26.0 54 65 A Y H ><5S+ 0 0 98 -4,-2.6 3,-1.1 4,-0.2 -1,-0.2 0.939 115.1 46.0 -52.1 -51.4 39.9 -2.7 -25.0 55 66 A L H 3<5S+ 0 0 87 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.767 113.6 47.9 -70.8 -28.7 36.4 -4.3 -24.7 56 67 A N T 3<5S- 0 0 49 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.299 120.8-109.3 -94.6 5.3 35.2 -2.8 -28.0 57 68 A G T < 5S+ 0 0 60 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.533 89.1 113.5 85.4 10.6 38.4 -4.0 -29.7 58 69 A Q S - 0 0 95 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 -0.818 29.1-171.3 -90.0 98.6 47.0 -3.9 -18.3 64 75 A V H > S+ 0 0 99 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.845 80.5 52.4 -67.9 -34.3 44.0 -4.9 -16.2 65 76 A R H > S+ 0 0 154 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.940 112.2 45.3 -64.0 -46.6 45.9 -4.4 -13.0 66 77 A A H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 115.4 45.9 -66.9 -43.8 47.0 -0.9 -14.0 67 78 A V H X S+ 0 0 9 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.900 112.9 50.8 -66.5 -37.5 43.5 0.1 -15.2 68 79 A S H X S+ 0 0 44 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.937 112.6 45.7 -59.7 -53.6 41.9 -1.4 -12.1 69 80 A R H X S+ 0 0 154 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.898 115.4 48.5 -57.7 -44.8 44.3 0.5 -9.8 70 81 A D H X S+ 0 0 65 -4,-2.5 4,-2.1 -5,-0.3 5,-0.3 0.937 113.8 45.1 -62.0 -48.3 43.7 3.7 -11.9 71 82 A F H X S+ 0 0 52 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.929 115.4 46.7 -60.3 -46.7 40.0 3.3 -11.8 72 83 A E H X S+ 0 0 102 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.879 112.2 48.4 -71.9 -40.9 39.8 2.5 -8.1 73 84 A F H X S+ 0 0 44 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.946 118.5 40.0 -62.4 -49.0 42.0 5.3 -6.9 74 85 A N H X S+ 0 0 20 -4,-2.1 4,-3.1 -5,-0.3 -30,-0.2 0.904 114.2 50.5 -73.4 -36.0 40.3 7.9 -8.9 75 86 A Y H X S+ 0 0 86 -4,-3.5 4,-2.9 -5,-0.3 5,-0.3 0.913 110.6 51.7 -62.1 -41.8 36.8 6.7 -8.3 76 87 A G H X S+ 0 0 5 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.939 110.0 50.5 -55.7 -46.9 37.7 6.6 -4.6 77 88 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.957 113.1 46.3 -56.6 -48.0 38.9 10.3 -5.1 78 89 A H H X S+ 0 0 20 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.952 115.8 41.9 -60.7 -49.8 35.6 11.2 -6.8 79 90 A I H X S+ 0 0 66 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.892 115.6 49.0 -71.7 -37.3 33.3 9.5 -4.4 80 91 A L H X S+ 0 0 11 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.2 0.878 112.9 47.0 -72.4 -34.9 35.1 10.6 -1.3 81 92 A H H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.932 109.7 54.5 -69.3 -43.2 35.3 14.3 -2.4 82 93 A T H X S+ 0 0 32 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.916 113.0 42.6 -52.1 -47.6 31.7 14.2 -3.3 83 94 A L H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.948 110.4 57.4 -59.3 -54.0 30.9 13.0 0.2 84 95 A Y H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 4,-0.2 0.898 108.7 44.2 -46.7 -52.0 33.4 15.5 1.7 85 96 A W H >< S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.884 113.5 51.3 -61.9 -40.7 31.6 18.5 0.1 86 97 A L H 3< S+ 0 0 67 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 102.5 61.3 -66.7 -29.3 28.2 17.3 1.0 87 98 A N T 3< S+ 0 0 0 -4,-2.4 106,-2.8 -5,-0.1 2,-0.3 0.460 98.0 71.3 -77.6 -6.7 29.3 16.8 4.6 88 99 A M B < -A 192 0A 2 -3,-1.3 104,-0.2 104,-0.3 103,-0.1 -0.792 56.6-177.3-112.3 157.9 30.0 20.5 5.0 89 100 A A - 0 0 8 102,-2.0 5,-0.2 -2,-0.3 -74,-0.1 -0.982 46.4 -63.5-151.2 148.0 27.8 23.5 5.2 90 101 A P > - 0 0 42 0, 0.0 4,-2.1 0, 0.0 -70,-0.2 0.100 56.0-105.8 -33.2 141.4 28.4 27.3 5.5 91 102 A K T 4 S+ 0 0 95 -72,-1.6 -71,-0.1 -70,-0.4 -72,-0.1 0.784 122.4 48.3 -48.5 -35.7 30.2 28.3 8.7 92 103 A G T 4 S+ 0 0 72 -73,-0.3 -1,-0.2 1,-0.1 -72,-0.0 0.997 117.4 36.4 -59.7 -66.6 26.9 29.6 9.9 93 104 A K T 4 S+ 0 0 187 98,-0.0 -2,-0.2 100,-0.0 -1,-0.1 0.866 112.1 47.9 -66.7 -51.1 24.6 26.7 9.1 94 105 A G S < S+ 0 0 15 -4,-2.1 99,-0.3 -5,-0.2 98,-0.2 0.045 79.6 64.2 -76.5-170.7 26.7 23.5 9.7 95 106 A G + 0 0 18 97,-4.1 99,-0.3 1,-0.2 95,-0.2 -0.388 54.0 84.7 98.1-167.6 28.8 22.6 12.8 96 107 A G S S- 0 0 47 -2,-0.1 -1,-0.2 2,-0.0 96,-0.1 -0.162 88.4 -36.5 64.3-156.8 28.0 21.9 16.4 97 108 A T - 0 0 105 1,-0.0 2,-0.1 97,-0.0 6,-0.1 -0.768 62.1-109.2-109.7 146.5 26.9 18.6 17.7 98 109 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.466 31.1-178.7 -72.1 142.3 24.6 16.0 16.0 99 110 A G > + 0 0 54 -2,-0.1 4,-1.8 4,-0.1 3,-0.3 -0.400 46.8 53.5-112.3-162.5 21.1 15.3 17.1 100 111 A G H > S- 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.2 -0.167 116.8 -36.0 67.4-162.8 18.7 12.7 15.5 101 112 A A H > S+ 0 0 30 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.907 139.5 55.2 -64.1 -38.2 19.5 9.1 14.9 102 113 A I H > S+ 0 0 0 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.930 106.5 48.9 -63.0 -46.3 23.2 9.9 14.1 103 114 A G H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.900 115.6 44.9 -58.0 -44.6 23.8 11.8 17.3 104 115 A D H X S+ 0 0 112 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.893 111.3 52.7 -65.9 -41.9 22.3 8.9 19.2 105 116 A A H X S+ 0 0 6 -4,-3.5 4,-2.8 2,-0.2 5,-0.3 0.940 109.3 50.3 -60.3 -42.9 24.3 6.4 17.2 106 117 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.5 0.945 111.3 47.9 -62.1 -46.8 27.5 8.3 18.0 107 118 A N H X S+ 0 0 72 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.946 113.1 49.4 -57.4 -43.3 26.7 8.3 21.6 108 119 A K H < S+ 0 0 161 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.931 120.3 33.3 -60.8 -44.0 25.9 4.5 21.5 109 120 A F H < S+ 0 0 51 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.731 133.4 25.3 -95.0 -17.8 29.1 3.5 19.6 110 121 A F H < S- 0 0 33 -4,-2.5 2,-0.5 -5,-0.3 -3,-0.2 0.431 99.5-119.4-124.0 -2.3 31.6 6.0 21.1 111 122 A G S < S+ 0 0 53 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.1 -0.245 84.0 6.3 99.7 -47.6 30.1 6.9 24.4 112 123 A S S > S- 0 0 34 -2,-0.5 4,-2.3 -6,-0.2 5,-0.2 -0.963 76.4-104.9-157.8 160.3 29.6 10.6 23.7 113 124 A F H > S+ 0 0 22 -2,-0.3 4,-3.7 1,-0.2 5,-0.2 0.872 120.9 53.8 -55.5 -39.6 30.0 13.1 20.9 114 125 A D H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 108.2 47.4 -66.9 -38.9 33.2 14.3 22.6 115 126 A K H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 116.3 45.6 -67.2 -40.9 34.8 10.8 22.8 116 127 A F H X S+ 0 0 0 -4,-2.3 4,-4.1 2,-0.2 5,-0.4 0.971 112.1 51.2 -63.0 -54.5 33.8 10.3 19.1 117 128 A K H X S+ 0 0 68 -4,-3.7 4,-2.8 1,-0.2 5,-0.2 0.884 112.2 47.5 -49.9 -45.4 35.1 13.7 18.2 118 129 A K H X S+ 0 0 124 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.909 116.5 41.2 -62.4 -44.7 38.4 13.0 19.9 119 130 A L H X S+ 0 0 92 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.929 117.2 48.1 -74.7 -42.0 38.9 9.6 18.3 120 131 A F H X S+ 0 0 0 -4,-4.1 4,-2.5 2,-0.2 5,-0.2 0.935 112.4 49.6 -62.3 -46.7 37.7 10.7 14.9 121 132 A G H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.4 -1,-0.2 0.903 112.2 48.0 -53.8 -44.4 39.9 13.8 15.0 122 133 A D H X S+ 0 0 48 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.895 108.3 54.2 -67.5 -33.8 42.8 11.6 16.0 123 134 A A H < S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.2 42.8 -65.2 -40.5 42.0 9.2 13.2 124 135 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.911 115.0 47.9 -70.0 -45.6 42.1 12.1 10.7 125 136 A K H 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 113.3 50.6 -68.6 -25.9 45.2 13.7 12.2 126 137 A N T 3< + 0 0 111 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 0.141 69.2 129.1-107.3 22.2 47.0 10.4 12.2 127 138 A V < - 0 0 5 -3,-1.4 2,-0.7 2,-0.1 4,-0.1 -0.626 63.6-128.1 -66.0 128.4 46.4 9.3 8.7 128 139 A E S S- 0 0 154 -2,-0.4 2,-0.5 2,-0.1 -2,-0.1 -0.720 76.2 -16.5 -86.0 117.9 49.9 8.4 7.7 129 140 A G S S- 0 0 51 -2,-0.7 2,-0.3 21,-0.1 -2,-0.1 -0.772 122.2 -28.5 88.9-132.0 50.6 10.2 4.5 130 141 A V S S+ 0 0 39 -2,-0.5 21,-2.5 39,-0.1 2,-0.3 -0.881 85.2 92.9-122.9 157.3 47.4 11.4 2.8 131 142 A G E -B 150 0B 0 -2,-0.3 37,-3.0 19,-0.3 38,-0.5 -0.953 59.4 -73.5 163.0-139.5 44.0 10.1 2.9 132 143 A W E -BC 149 167B 0 17,-1.9 17,-2.7 -2,-0.3 2,-0.4 -0.948 16.0-134.8-150.0 154.1 40.7 10.4 4.9 133 144 A A E -BC 148 166B 0 33,-2.0 33,-2.6 -2,-0.3 2,-0.4 -0.972 32.1-168.4-113.2 143.1 39.1 9.7 8.1 134 145 A I E -BC 147 165B 3 13,-2.5 13,-3.2 -2,-0.4 2,-0.6 -0.993 24.2-148.2-135.0 134.0 35.6 8.3 7.6 135 146 A L E -BC 146 164B 0 29,-2.7 28,-3.6 -2,-0.4 29,-1.6 -0.937 38.7-177.4 -95.7 117.9 32.7 7.7 10.0 136 147 A A E -BC 145 162B 0 9,-3.2 9,-2.9 -2,-0.6 2,-0.5 -0.886 30.5-127.7-121.8 157.6 31.0 4.7 8.4 137 148 A Y E -BC 144 161B 24 24,-3.4 24,-3.1 -2,-0.3 7,-0.2 -0.892 20.2-145.5 -98.1 128.4 28.0 2.6 9.0 138 149 A D >> - 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0 0 54 -2,-1.6 2,-0.3 -6,-0.2 -1,-0.2 -0.173 55.6-166.1 -65.1 157.9 39.6 1.1 3.4 157 168 A T - 0 0 99 1,-0.1 3,-0.1 -3,-0.1 -3,-0.0 -0.871 20.7 -86.0-138.5-179.5 37.6 -1.8 2.4 158 169 A T S S+ 0 0 104 -2,-0.3 2,-2.3 1,-0.2 -1,-0.1 -0.008 92.5 37.6 -82.8 176.1 34.2 -2.5 1.0 159 170 A N S S+ 0 0 35 1,-0.1 -1,-0.2 -21,-0.1 51,-0.1 -0.185 82.8 110.5 77.9 -46.9 30.6 -2.9 2.4 160 171 A L - 0 0 39 -2,-2.3 -22,-0.2 -22,-0.1 -1,-0.1 -0.357 67.0-137.1 -50.8 136.4 31.2 -0.2 5.1 161 172 A I E -C 137 0B 38 -24,-3.1 -24,-3.4 -3,-0.1 2,-0.2 -0.903 11.8-137.8-108.4 114.1 29.0 2.8 4.2 162 173 A P E +C 136 0B 47 0, 0.0 -26,-0.3 0, 0.0 3,-0.1 -0.548 27.3 171.2 -73.6 136.7 30.8 6.1 4.7 163 174 A L E + 0 0 0 -28,-3.6 2,-0.4 1,-0.4 -27,-0.2 0.714 68.3 13.5-108.0 -37.6 28.6 8.7 6.3 164 175 A L E -C 135 0B 0 -29,-1.6 -29,-2.7 36,-0.1 -1,-0.4 -0.993 67.3-177.0-146.3 138.6 31.1 11.5 7.0 165 176 A A E -C 134 0B 0 -2,-0.4 2,-0.5 -31,-0.2 -31,-0.2 -1.000 13.6-159.7-144.0 140.7 34.6 12.0 5.7 166 177 A V E -C 133 0B 0 -33,-2.6 -33,-2.0 -2,-0.4 2,-0.4 -0.992 20.8-135.7-120.7 128.4 37.3 14.5 6.2 167 178 A D E +C 132 0B 0 -2,-0.5 -35,-0.2 -35,-0.2 -43,-0.0 -0.687 22.3 177.2 -77.8 126.8 40.0 14.8 3.6 168 179 A V + 0 0 0 -37,-3.0 2,-0.2 -2,-0.4 -36,-0.2 0.115 35.3 127.5-122.1 26.1 43.5 15.0 5.0 169 180 A F S > S- 0 0 20 -38,-0.5 3,-2.2 -39,-0.2 4,-0.5 -0.567 75.8-113.0 -61.0 145.4 45.4 15.1 1.8 170 181 A E G >> S+ 0 0 102 1,-0.3 4,-3.1 -2,-0.2 3,-1.7 0.820 114.1 65.6 -57.5 -32.4 47.6 18.2 2.2 171 182 A H G 34 S+ 0 0 32 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.776 89.6 66.6 -64.9 -16.9 45.7 20.0 -0.5 172 183 A A G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.756 126.2 5.3 -69.4 -23.8 42.6 20.0 1.6 173 184 A Y T <>>S+ 0 0 5 -3,-1.7 4,-3.2 -4,-0.5 5,-0.6 0.503 98.3 97.8-137.9 -12.6 44.3 22.3 4.1 174 185 A Y H X5S+ 0 0 99 -4,-3.1 4,-1.2 1,-0.3 -3,-0.1 0.806 86.4 51.2 -64.1 -32.2 47.7 23.5 2.9 175 186 A I H 45S+ 0 0 51 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.891 124.2 29.6 -67.9 -36.8 46.6 26.8 1.5 176 187 A D H 45S+ 0 0 50 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.698 140.3 15.3 -95.2 -26.4 44.8 27.7 4.8 177 188 A Y H ><5S- 0 0 26 -4,-3.2 3,-2.4 1,-0.3 -3,-0.2 0.351 80.4-153.6-132.8 -2.5 46.8 25.8 7.4 178 189 A R T 3< + 0 0 67 -3,-2.4 4,-2.2 1,-0.2 3,-0.3 -0.405 31.5 155.9 -82.6 67.1 48.9 22.2 10.5 181 192 A R H > S+ 0 0 31 -2,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.857 70.4 59.5 -54.0 -38.6 46.5 19.4 9.7 182 193 A A H > S+ 0 0 36 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.894 104.5 47.5 -61.3 -41.3 45.5 19.2 13.3 183 194 A K H > S+ 0 0 115 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.902 113.0 51.4 -74.8 -34.9 44.2 22.8 13.3 184 195 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.960 110.9 45.1 -58.8 -51.1 42.4 22.1 10.1 185 196 A V H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.938 111.7 54.8 -61.3 -42.9 40.7 18.9 11.4 186 197 A D H < S+ 0 0 77 -4,-2.7 3,-0.4 1,-0.2 4,-0.2 0.907 114.5 39.4 -55.8 -44.1 39.8 20.8 14.6 187 198 A S H >< S+ 0 0 25 -4,-2.1 3,-2.2 1,-0.2 4,-0.2 0.804 100.4 72.7 -78.1 -29.7 38.1 23.6 12.7 188 199 A W H >X S+ 0 0 0 -4,-2.6 3,-2.6 1,-0.3 4,-0.6 0.856 82.6 73.3 -57.1 -30.3 36.5 21.3 10.2 189 200 A W G >< S+ 0 0 6 -4,-1.2 3,-0.9 -3,-0.4 -1,-0.3 0.821 89.7 59.8 -46.8 -35.1 34.1 20.2 13.0 190 201 A D G <4 S+ 0 0 62 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.491 102.7 51.8 -77.5 -6.5 32.4 23.6 12.6 191 202 A L G <4 S+ 0 0 0 -3,-2.6 -102,-2.0 -4,-0.2 -1,-0.2 0.502 77.0 127.1-102.3 -9.3 31.5 22.9 9.0 192 203 A I B << -A 88 0A 0 -3,-0.9 -97,-4.1 -4,-0.6 2,-1.4 -0.296 52.6-147.5 -61.8 121.5 29.9 19.6 9.4 193 204 A N > - 0 0 40 -106,-2.8 4,-1.9 -99,-0.3 3,-0.3 -0.739 18.5-177.4 -77.7 89.7 26.5 19.4 7.9 194 205 A W H > S+ 0 0 17 -2,-1.4 4,-2.6 -99,-0.3 -1,-0.2 0.693 78.5 58.4 -66.5 -17.3 25.1 16.9 10.4 195 206 A D H > S+ 0 0 128 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.886 104.3 50.6 -76.0 -44.2 21.8 16.8 8.6 196 207 A D H > S+ 0 0 26 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.934 113.7 45.6 -52.1 -51.1 23.5 15.6 5.5 197 208 A V H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.951 112.7 50.6 -60.6 -52.0 25.2 12.9 7.6 198 209 A E H X S+ 0 0 34 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.923 110.0 49.7 -46.2 -50.9 21.9 12.1 9.3 199 210 A A H X S+ 0 0 48 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.895 113.0 46.9 -63.3 -39.6 20.2 11.7 5.9 200 211 A R H X S+ 0 0 46 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.921 111.5 50.9 -67.3 -41.1 23.0 9.5 4.7 201 212 A Y H X S+ 0 0 16 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.893 107.9 52.5 -64.8 -38.8 22.9 7.5 7.9 202 213 A Q H X S+ 0 0 80 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.947 111.5 46.8 -59.1 -50.2 19.1 7.1 7.5 203 214 A K H < S+ 0 0 144 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.882 112.5 50.8 -53.6 -46.2 19.7 5.8 3.9 204 215 A A H >< S+ 0 0 2 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.912 105.6 54.9 -59.6 -45.5 22.4 3.5 5.2 205 216 A L H 3< S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 111.9 45.9 -57.7 -30.3 20.1 2.1 7.9 206 217 A N T 3< S+ 0 0 142 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.081 84.0 111.9-103.9 16.7 17.6 1.2 5.2 207 218 A T S < S- 0 0 53 -3,-1.7 2,-0.1 -5,-0.1 3,-0.0 -0.771 76.8-110.5 -85.0 137.7 20.1 -0.4 2.7 208 219 A P - 0 0 101 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.422 37.9 -97.3 -66.0 141.6 19.5 -4.2 2.4 209 220 A K - 0 0 114 1,-0.2 -69,-0.0 2,-0.1 -3,-0.0 -0.537 43.3-169.3 -57.7 111.7 22.3 -6.3 3.9 210 221 A L S S+ 0 0 137 -2,-0.6 -1,-0.2 2,-0.2 -70,-0.0 0.844 73.2 0.4 -78.9 -34.6 24.2 -7.0 0.7 211 222 A I 0 0 125 1,-0.4 -2,-0.1 -3,-0.1 -1,-0.0 0.754 360.0 360.0-121.1 -49.4 26.5 -9.7 2.0 212 223 A L 0 0 137 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.995 360.0 360.0-153.7 360.0 26.1 -10.5 5.6