==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-APR-09 3H1S . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR B.NOCEK,M.ZHOU,L PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK,CENTER F . 382 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 67.8 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 . 36 9.4 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 0.5 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 . 9 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 4 4 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 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 2 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 . 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 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 2 A K 0 0 210 0, 0.0 2,-0.2 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -34.9 6.2 10.3 -10.5 2 3 A F - 0 0 49 33,-0.2 2,-0.4 34,-0.1 37,-0.1 -0.576 360.0-160.5 -72.1 138.8 7.8 11.3 -7.1 3 4 A E - 0 0 166 -2,-0.2 -1,-0.0 36,-0.0 29,-0.0 -0.916 27.3-108.6-120.3 143.8 7.3 15.0 -6.2 4 5 A L - 0 0 31 -2,-0.4 2,-0.2 28,-0.1 3,-0.1 -0.594 48.5-129.1 -58.4 121.3 8.9 17.4 -3.8 5 6 A P - 0 0 49 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 -0.538 27.9 -90.1 -80.1 150.6 6.2 17.7 -1.2 6 7 A K - 0 0 199 -2,-0.2 -3,-0.0 1,-0.1 0, 0.0 -0.252 42.2-110.5 -61.3 137.6 5.0 21.1 -0.1 7 8 A L - 0 0 20 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.428 24.7-126.3 -63.8 142.4 6.9 22.7 2.9 8 9 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.428 87.3 18.2 -77.9 7.1 4.6 22.8 6.0 9 10 A Y S S- 0 0 29 72,-0.1 -2,-0.1 73,-0.0 5,-0.0 -0.918 101.1 -64.7-161.0 172.1 5.1 26.5 6.5 10 11 A A > - 0 0 56 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.297 50.6-109.6 -68.5 157.5 6.4 29.6 4.6 11 12 A V T 3 S+ 0 0 52 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.740 120.1 41.2 -63.1 -25.8 10.0 29.7 3.5 12 13 A D T > S+ 0 0 81 1,-0.1 3,-1.3 2,-0.1 -1,-0.3 0.304 85.6 100.1-103.0 11.1 10.7 32.4 6.1 13 14 A A T < S+ 0 0 31 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.748 78.1 55.2 -72.2 -22.0 8.6 30.9 8.9 14 15 A L T >> S+ 0 0 2 -4,-0.3 4,-2.0 -3,-0.2 3,-1.3 0.404 86.3 152.5 -95.3 3.1 11.6 29.4 10.7 15 16 A E T <4 + 0 0 104 -3,-1.3 4,-0.1 1,-0.3 -3,-0.0 -0.513 56.3 28.3 -65.2 138.4 13.6 32.6 11.0 16 17 A S T 34 S+ 0 0 118 -2,-0.2 -1,-0.3 0, 0.0 3,-0.2 -0.983 126.2 45.8-100.5 5.4 15.6 33.3 13.1 17 18 A T T <4 S+ 0 0 15 -3,-1.3 2,-0.4 1,-0.3 -2,-0.2 0.947 129.7 16.2 -70.5 -48.7 16.6 29.7 13.7 18 19 A I S < S- 0 0 0 -4,-2.0 -1,-0.3 157,-0.1 -4,-0.1 -0.997 88.1-129.6-126.5 127.1 16.8 28.8 10.0 19 20 A S > - 0 0 22 -2,-0.4 4,-2.5 -3,-0.2 5,-0.1 -0.337 18.9-117.3 -76.1 159.5 17.0 31.5 7.4 20 21 A K H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 118.3 59.1 -59.8 -33.5 14.9 31.8 4.2 21 22 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.961 104.9 47.7 -63.0 -47.6 18.1 31.4 2.3 22 23 A T H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.960 111.0 51.0 -59.4 -47.4 18.8 28.1 3.9 23 24 A I H X>S+ 0 0 1 -4,-2.5 4,-2.0 -12,-0.3 5,-1.4 0.919 108.3 53.3 -53.9 -44.1 15.2 26.9 3.2 24 25 A E H <5S+ 0 0 89 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.917 119.7 31.8 -63.6 -45.2 15.6 27.9 -0.5 25 26 A Y H X>S+ 0 0 54 -4,-2.2 5,-2.6 3,-0.2 4,-1.4 0.929 124.5 44.5 -72.2 -48.2 18.8 25.9 -1.0 26 27 A H H <>S+ 0 0 1 -4,-3.3 5,-2.8 -5,-0.3 -3,-0.2 0.985 132.1 19.1 -65.2 -55.4 18.1 23.1 1.4 27 28 A Y T <>S+ 0 0 34 -4,-2.0 5,-1.0 -5,-0.5 -3,-0.2 0.949 129.4 46.9 -77.4 -50.1 14.5 22.5 0.4 28 29 A G T 4>< S+ 0 0 4 -4,-2.7 3,-2.2 -5,-0.1 6,-0.4 0.748 82.4 109.9 -75.0 -26.6 14.0 4.2 -10.5 43 44 A E T 3< S+ 0 0 143 -4,-1.3 3,-0.1 -5,-0.3 4,-0.1 -0.248 88.8 9.8 -59.8 131.5 12.8 4.3 -14.1 44 45 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.553 112.1 103.1 75.2 11.2 13.0 0.9 -15.8 45 46 A T S X S- 0 0 46 -3,-2.2 3,-1.5 1,-0.0 -1,-0.3 -0.606 89.9 -99.1-115.7 178.3 13.8 -0.8 -12.5 46 47 A E T 3 S+ 0 0 151 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.757 121.0 61.9 -70.1 -27.0 11.7 -2.9 -10.0 47 48 A H T > S+ 0 0 8 -5,-0.2 3,-1.2 3,-0.1 2,-0.3 0.500 73.3 120.7 -74.8 -4.2 11.2 0.1 -7.9 48 49 A D T < S+ 0 0 80 -3,-1.5 3,-0.1 -6,-0.4 -5,-0.1 -0.499 90.6 3.9 -69.6 121.2 9.4 1.9 -10.7 49 50 A G T 3 S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.966 103.5 127.5 58.1 54.3 6.0 2.7 -9.3 50 51 A R < - 0 0 81 -3,-1.2 -1,-0.3 1,-0.0 -3,-0.1 -0.886 66.0 -96.6-125.2 160.9 6.9 1.4 -5.9 51 52 A N > - 0 0 79 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.313 28.2-114.3 -80.5 166.0 6.3 3.5 -2.7 52 53 A L H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.929 114.2 47.3 -64.3 -49.2 9.1 5.7 -1.1 53 54 A E H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.833 111.4 51.6 -63.3 -34.4 9.3 3.8 2.2 54 55 A E H > S+ 0 0 94 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.819 109.0 51.2 -68.4 -36.9 9.4 0.4 0.3 55 56 A I H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 3,-0.5 0.904 109.7 49.7 -66.3 -41.5 12.3 1.7 -1.8 56 57 A V H < S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.863 113.4 46.3 -62.8 -38.9 14.2 2.8 1.3 57 58 A K H < S+ 0 0 98 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.687 125.0 30.5 -77.7 -16.2 13.7 -0.6 2.9 58 59 A T H < S+ 0 0 66 -4,-0.9 2,-0.3 -3,-0.5 -2,-0.2 0.172 99.9 83.1-134.6 13.2 14.7 -2.6 -0.3 59 60 A S < - 0 0 19 -4,-0.9 2,-0.2 -3,-0.3 -4,-0.0 -0.796 47.8-164.1-119.1 164.2 17.2 -0.6 -2.4 60 61 A N >> + 0 0 136 -2,-0.3 4,-1.6 4,-0.0 3,-0.9 -0.753 51.7 8.5-132.3-179.9 21.0 -0.2 -2.4 61 62 A G H 3> S- 0 0 44 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 -0.034 123.5 -5.2 52.1-139.4 23.5 2.2 -3.9 62 63 A G H 3> S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.788 134.8 53.7 -55.8 -36.0 22.4 5.3 -5.7 63 64 A I H <> S+ 0 0 27 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.948 111.4 46.0 -67.8 -45.8 18.7 4.5 -5.5 64 65 A F H X S+ 0 0 32 -4,-1.6 4,-3.4 1,-0.2 5,-0.4 0.956 110.8 52.7 -58.0 -51.3 18.9 4.1 -1.7 65 66 A N H X S+ 0 0 43 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.906 115.9 38.9 -52.3 -48.1 20.9 7.3 -1.3 66 67 A N H X S+ 0 0 18 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.910 118.9 46.9 -73.4 -42.4 18.4 9.4 -3.2 67 68 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.941 113.7 47.3 -63.5 -48.6 15.3 7.6 -1.8 68 69 A A H X S+ 0 0 0 -4,-3.4 4,-3.1 -5,-0.2 5,-0.2 0.906 112.4 50.5 -63.4 -42.0 16.5 7.7 1.9 69 70 A Q H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.4 -1,-0.2 0.856 109.1 51.4 -63.0 -36.2 17.4 11.4 1.5 70 71 A V H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.956 115.1 42.1 -61.7 -50.6 14.0 12.2 0.1 71 72 A F H X S+ 0 0 21 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.918 114.6 50.9 -62.1 -44.8 12.4 10.4 3.0 72 73 A N H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.903 110.8 47.6 -62.5 -43.1 14.8 11.9 5.6 73 74 A H H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.919 111.1 49.5 -70.7 -41.3 14.3 15.5 4.4 74 75 A T H X S+ 0 0 39 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.922 112.8 49.8 -59.4 -43.7 10.5 15.3 4.4 75 76 A F H X S+ 0 0 12 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.952 110.0 50.5 -58.4 -49.7 10.7 13.9 7.9 76 77 A Y H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.932 106.8 53.0 -55.4 -50.7 13.0 16.7 9.0 77 78 A W H >< S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.894 108.6 50.9 -57.0 -38.5 10.7 19.5 7.7 78 79 A N H 3< S+ 0 0 53 -4,-1.7 -1,-0.3 1,-0.2 106,-0.2 0.742 101.8 62.9 -68.1 -25.2 7.8 18.0 9.6 79 80 A C T << S+ 0 0 0 -4,-1.3 102,-2.7 -3,-0.9 2,-0.3 0.480 99.2 66.6 -74.1 -6.1 10.0 18.0 12.8 80 81 A L B < +A 180 0A 1 -3,-1.2 100,-0.2 -4,-0.4 3,-0.1 -0.852 60.7 169.4-116.0 155.0 10.2 21.8 12.7 81 82 A T - 0 0 10 98,-2.2 4,-0.1 -2,-0.3 -72,-0.1 -0.976 40.3-143.1-160.2 149.0 7.5 24.4 13.2 82 83 A P S S+ 0 0 61 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.578 83.9 86.7 -77.7 -10.1 6.9 28.2 13.6 83 84 A N S S- 0 0 114 96,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.497 89.3 -99.0 -97.3 158.3 4.1 27.3 16.0 84 85 A K + 0 0 198 -2,-0.2 2,-0.3 97,-0.1 -1,-0.1 -0.582 52.5 163.2 -70.4 127.3 4.0 26.6 19.8 85 86 A T - 0 0 39 -2,-0.3 2,-0.3 95,-0.2 95,-0.1 -0.905 17.5-165.5-137.5 163.8 3.9 22.8 20.4 86 87 A E - 0 0 140 -2,-0.3 2,-0.1 95,-0.0 100,-0.1 -0.987 31.3 -90.6-148.3 162.9 4.5 20.4 23.4 87 88 A A - 0 0 19 -2,-0.3 96,-0.1 1,-0.1 95,-0.1 -0.435 41.5-114.5 -70.4 139.2 5.0 16.7 24.0 88 89 A S > - 0 0 33 94,-0.4 4,-2.5 -2,-0.1 5,-0.2 -0.270 31.4-110.2 -60.5 158.0 2.0 14.5 24.7 89 90 A S H > S+ 0 0 99 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.868 118.9 53.2 -64.6 -37.0 2.0 13.0 28.2 90 91 A Q H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 112.3 45.2 -64.4 -40.0 2.7 9.5 26.8 91 92 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.920 113.8 49.2 -68.6 -40.0 5.8 10.8 24.9 92 93 A K H X S+ 0 0 97 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.926 111.1 50.3 -64.7 -44.4 6.9 12.8 27.9 93 94 A A H X S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.910 110.8 48.4 -56.9 -51.0 6.5 9.7 30.1 94 95 A A H X S+ 0 0 21 -4,-2.3 4,-1.9 1,-0.2 38,-0.3 0.843 110.1 53.2 -60.9 -36.0 8.5 7.6 27.8 95 96 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.890 109.2 48.1 -66.3 -38.6 11.2 10.3 27.6 96 97 A I H X S+ 0 0 82 -4,-2.0 4,-1.2 3,-0.2 -2,-0.2 0.879 111.7 48.8 -71.7 -40.6 11.5 10.4 31.4 97 98 A E H < S+ 0 0 131 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.913 121.3 35.5 -60.2 -45.7 11.8 6.6 31.8 98 99 A T H < S+ 0 0 52 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.938 134.1 21.1 -80.2 -49.7 14.4 6.2 29.1 99 100 A F H < S- 0 0 18 -4,-2.4 2,-0.5 -5,-0.2 -3,-0.2 0.433 99.2-118.3-103.4 -2.8 16.5 9.4 29.5 100 101 A G S < S+ 0 0 45 -4,-1.2 2,-0.3 -5,-0.3 -4,-0.2 -0.261 86.2 8.5 91.9 -47.3 15.6 10.3 33.1 101 102 A S S > S- 0 0 40 -2,-0.5 4,-2.1 -6,-0.3 5,-0.1 -0.980 75.6-106.7-157.1 167.2 14.1 13.7 32.1 102 103 A V H > S+ 0 0 42 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.950 121.2 50.6 -64.5 -47.0 13.1 15.7 29.1 103 104 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 108.3 52.8 -57.5 -40.6 16.0 18.0 29.5 104 105 A N H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.863 106.8 53.5 -64.8 -35.4 18.4 15.0 29.7 105 106 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.898 109.2 48.1 -58.1 -43.1 16.9 13.8 26.5 106 107 A K H X S+ 0 0 31 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.916 111.9 49.0 -69.5 -40.7 17.7 17.1 24.9 107 108 A E H X S+ 0 0 125 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.985 115.1 44.0 -57.1 -56.9 21.3 17.2 26.2 108 109 A Q H X S+ 0 0 92 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.862 114.4 49.3 -60.3 -41.1 21.9 13.6 25.0 109 110 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.3 0.906 112.1 48.6 -64.9 -39.2 20.3 14.2 21.7 110 111 A S H X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.918 110.5 50.9 -66.1 -43.1 22.3 17.4 21.2 111 112 A K H X S+ 0 0 164 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.930 111.8 48.2 -58.8 -44.5 25.5 15.6 22.1 112 113 A A H X S+ 0 0 22 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.907 112.2 48.4 -63.0 -45.8 24.7 12.9 19.6 113 114 A A H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.889 115.1 44.7 -60.9 -44.2 23.9 15.4 16.8 114 115 A I H < S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 111.3 53.0 -70.4 -35.8 27.1 17.4 17.5 115 116 A A H < S+ 0 0 74 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.2 0.616 78.5 114.2 -78.6 -14.5 29.3 14.2 17.7 116 117 A T < - 0 0 13 -4,-0.9 2,-0.4 -3,-0.4 4,-0.1 -0.444 64.3-139.2 -62.6 120.3 28.2 12.8 14.3 117 118 A F - 0 0 56 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 -0.672 59.6 -11.8 -92.5 138.1 31.2 12.9 12.2 118 119 A G S S- 0 0 3 -2,-0.4 2,-0.3 20,-0.1 192,-0.1 -0.469 116.7 -18.3 75.5-155.0 30.9 14.0 8.6 119 120 A S S S+ 0 0 0 -2,-0.1 20,-2.7 38,-0.1 2,-0.3 -0.622 89.9 92.4 -86.5 146.0 27.4 14.3 7.0 120 121 A G E -B 138 0B 0 18,-0.3 36,-2.4 -2,-0.3 37,-0.6 -0.981 57.1 -80.5 167.3-155.9 24.5 12.6 8.6 121 122 A W E -BC 137 155B 0 16,-2.2 16,-2.8 -2,-0.3 2,-0.4 -0.989 15.4-140.8-147.8 145.2 21.5 12.6 10.9 122 123 A A E -BC 136 154B 0 32,-2.1 32,-1.9 -2,-0.3 2,-0.4 -0.925 31.1-167.6-108.2 138.3 20.6 12.3 14.6 123 124 A W E -BC 135 153B 0 12,-3.0 12,-2.0 -2,-0.4 2,-0.5 -0.963 28.7-155.8-131.7 139.3 17.4 10.4 15.4 124 125 A L E +BC 134 152B 0 28,-2.2 27,-3.3 -2,-0.4 28,-1.6 -0.978 38.7 169.1 -97.5 130.3 15.0 9.6 18.2 125 126 A V E -BC 133 150B 0 8,-2.4 8,-1.7 -2,-0.5 2,-0.5 -0.853 38.8-118.5-136.2 164.9 13.3 6.3 17.3 126 127 A K E -BC 132 149B 46 23,-2.3 23,-2.5 -2,-0.3 6,-0.2 -0.957 35.5-154.7-108.1 125.4 11.1 3.7 18.8 127 128 A N > - 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0 0 20 -2,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.281 17.4-118.1 -79.7 152.6 37.3 33.3 -1.0 212 21 B K H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.880 118.2 55.4 -44.7 -47.3 39.2 34.9 1.8 213 22 B E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.912 105.2 51.2 -60.9 -43.1 36.2 34.0 4.0 214 23 B T H > S+ 0 0 0 1,-0.2 4,-3.8 2,-0.2 5,-0.4 0.950 111.3 47.4 -60.0 -46.7 36.4 30.4 3.0 215 24 B I H X>S+ 0 0 1 -4,-2.4 4,-1.9 -12,-0.3 5,-1.6 0.927 108.5 56.2 -58.0 -46.2 40.1 30.3 4.0 216 25 B E H <5S+ 0 0 98 -4,-2.6 4,-0.3 3,-0.2 -1,-0.2 0.907 120.4 29.9 -49.2 -48.5 39.2 32.1 7.2 217 26 B Y H X>S+ 0 0 42 -4,-2.3 5,-2.4 3,-0.2 4,-1.7 0.942 123.3 45.5 -80.3 -51.7 36.8 29.4 8.2 218 27 B H H <>S+ 0 0 1 -4,-3.8 5,-2.0 -5,-0.2 -3,-0.2 0.945 129.8 21.6 -61.2 -54.6 38.3 26.3 6.5 219 28 B Y T <>S+ 0 0 36 -4,-1.9 5,-1.2 -5,-0.4 -3,-0.2 0.940 129.3 44.1 -74.0 -53.0 41.9 26.9 7.5 220 29 B G T 4< S+ 0 0 2 -4,-2.6 3,-3.0 -5,-0.2 6,-0.6 0.812 81.0 116.7 -72.9 -29.7 46.5 11.9 21.8 235 44 B E T 3< S+ 0 0 123 -4,-1.9 3,-0.1 -5,-0.3 -42,-0.0 -0.096 88.8 3.0 -52.8 124.4 47.7 13.4 25.0 236 45 B G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.440 108.3 109.5 84.5 -3.9 48.9 10.6 27.4 237 46 B T S X S- 0 0 42 -3,-3.0 3,-1.4 1,-0.0 -1,-0.3 -0.529 88.4 -99.1 -93.3 174.9 48.3 7.8 24.8 238 47 B E T 3 S+ 0 0 153 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.670 122.1 63.5 -65.5 -22.4 50.8 5.7 22.9 239 48 B H T > S+ 0 0 25 -5,-0.2 3,-2.3 2,-0.1 2,-0.4 0.666 74.3 105.1 -75.6 -20.2 50.2 8.0 19.9 240 49 B D T < S+ 0 0 65 -3,-1.4 3,-0.1 -6,-0.6 -47,-0.1 -0.503 90.8 19.2 -63.4 115.0 51.6 11.0 21.9 241 50 B G T 3 S+ 0 0 62 -2,-0.4 -1,-0.3 1,-0.4 2,-0.1 0.225 96.7 121.2 107.0 -16.6 55.0 11.4 20.3 242 51 B R S < S- 0 0 84 -3,-2.3 -1,-0.4 1,-0.1 2,-0.1 -0.453 70.9-101.9 -78.4 149.8 54.3 9.5 17.1 243 52 B N > - 0 0 103 -2,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.424 34.1-112.2 -67.0 150.0 54.7 11.2 13.7 244 53 B L H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 114.5 54.7 -53.3 -41.7 51.4 12.3 12.1 245 54 B E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 108.3 49.1 -65.1 -38.8 51.6 9.7 9.2 246 55 B E H > S+ 0 0 79 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 109.6 51.4 -62.4 -46.4 52.0 6.9 11.6 247 56 B I H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.943 110.9 49.2 -52.8 -50.8 49.1 8.0 13.7 248 57 B V H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 114.0 46.2 -51.8 -45.0 46.9 8.2 10.5 249 58 B K H 3< S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.680 124.4 29.2 -72.0 -23.5 48.1 4.7 9.5 250 59 B T H << S+ 0 0 81 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.431 99.2 86.2-126.0 -2.4 47.5 3.1 12.8 251 60 B S < - 0 0 19 -4,-1.9 2,-0.3 -5,-0.2 -4,-0.0 -0.443 45.5-169.7 -97.6 173.0 44.7 4.8 14.8 252 61 B N >> + 0 0 133 -2,-0.1 4,-1.9 4,-0.0 3,-0.7 -0.824 49.1 21.2-144.8-178.3 41.0 4.5 14.9 253 62 B G H 3> S- 0 0 45 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.106 122.2 -14.9 58.3-141.4 38.0 6.4 16.3 254 63 B G H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.824 136.0 57.1 -67.5 -34.5 38.3 10.1 17.2 255 64 B I H <> S+ 0 0 32 -3,-0.7 4,-3.2 1,-0.2 5,-0.2 0.955 110.3 45.9 -60.0 -50.5 42.1 10.1 17.0 256 65 B F H X S+ 0 0 36 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.931 110.7 51.7 -56.3 -53.0 42.0 8.8 13.5 257 66 B N H X S+ 0 0 41 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.896 117.1 38.6 -54.4 -46.4 39.3 11.2 12.4 258 67 B N H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 117.7 49.4 -72.3 -43.4 41.2 14.2 13.7 259 68 B A H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.937 113.3 45.2 -59.0 -50.2 44.7 12.9 12.6 260 69 B A H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.936 113.0 51.3 -66.9 -41.5 43.7 12.0 9.1 261 70 B Q H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.4 5,-0.2 0.875 108.0 52.0 -64.5 -35.2 41.8 15.4 8.7 262 71 B V H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.966 115.5 42.4 -61.8 -48.3 44.9 17.3 9.9 263 72 B F H X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.915 113.9 50.5 -60.9 -47.7 47.0 15.5 7.3 264 73 B N H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.881 111.8 47.7 -63.4 -42.7 44.4 15.8 4.5 265 74 B H H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.910 111.3 49.6 -68.7 -42.1 44.0 19.5 5.0 266 75 B T H X S+ 0 0 38 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.949 112.7 48.7 -59.9 -45.5 47.7 20.2 5.1 267 76 B F H X S+ 0 0 12 -4,-2.8 4,-1.1 -5,-0.2 3,-0.4 0.955 109.7 52.5 -56.3 -49.5 48.0 18.2 1.9 268 77 B Y H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.899 106.4 51.5 -55.3 -47.5 45.1 20.2 0.3 269 78 B W H >< S+ 0 0 4 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.843 109.6 51.4 -61.9 -32.6 46.6 23.6 1.0 270 79 B N H 3< S+ 0 0 56 -4,-1.5 -1,-0.3 -3,-0.4 106,-0.2 0.677 102.1 60.9 -73.8 -23.5 49.9 22.4 -0.6 271 80 B C T << S+ 0 0 0 -4,-1.1 102,-3.1 -3,-0.8 2,-0.3 0.450 101.5 66.0 -77.1 -10.2 47.9 21.3 -3.7 272 81 B L B < +D 372 0C 2 -3,-0.8 100,-0.2 -4,-0.4 97,-0.0 -0.841 59.5 162.2-114.1 153.2 46.7 24.9 -4.3 273 82 B T - 0 0 10 98,-2.2 4,-0.1 -2,-0.3 101,-0.1 -0.969 42.4-137.9-163.9 147.2 48.7 28.0 -5.2 274 83 B P S S+ 0 0 63 0, 0.0 2,-0.2 0, 0.0 98,-0.1 0.495 83.4 91.1 -82.0 -2.0 48.3 31.5 -6.6 275 84 B N S S- 0 0 116 96,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.562 86.7-100.6 -96.2 159.6 51.4 30.9 -8.8 276 85 B K + 0 0 211 -2,-0.2 2,-0.3 97,-0.1 -1,-0.1 -0.574 50.2 165.4 -74.6 132.9 51.7 29.5 -12.3 277 86 B T - 0 0 35 -2,-0.3 2,-0.3 95,-0.2 95,-0.1 -0.934 19.5-163.7-144.1 162.7 52.8 25.8 -12.4 278 87 B E - 0 0 137 -2,-0.3 2,-0.1 95,-0.0 100,-0.1 -0.982 34.0 -93.2-146.1 155.7 52.9 22.9 -14.8 279 88 B A - 0 0 9 -2,-0.3 96,-0.1 1,-0.1 95,-0.1 -0.452 45.2-109.9 -66.3 139.7 53.3 19.2 -14.5 280 89 B S > - 0 0 34 94,-0.4 4,-2.8 -2,-0.1 5,-0.2 -0.204 31.2-107.9 -53.6 158.2 56.9 17.8 -14.8 281 90 B S H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 121.8 52.3 -61.7 -37.8 57.7 15.8 -17.9 282 91 B Q H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 111.3 44.4 -64.2 -48.1 57.7 12.6 -15.8 283 92 B L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 113.5 52.0 -62.7 -42.4 54.2 13.3 -14.3 284 93 B K H X S+ 0 0 74 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.942 109.6 48.5 -56.9 -49.2 52.9 14.3 -17.7 285 94 B A H X S+ 0 0 43 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.892 112.1 49.2 -60.3 -41.5 54.1 11.1 -19.3 286 95 B A H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.916 111.6 48.6 -64.1 -42.8 52.6 9.0 -16.5 287 96 B L H X>S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.6 0.907 113.2 48.5 -63.3 -42.8 49.2 10.8 -16.8 288 97 B I H X5S+ 0 0 84 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.952 113.8 45.3 -63.6 -46.9 49.2 10.3 -20.6 289 98 B E H <5S+ 0 0 166 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.845 121.4 37.1 -70.5 -35.7 50.1 6.7 -20.4 290 99 B T H <5S+ 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.863 134.2 18.9 -80.2 -43.4 47.5 5.9 -17.6 291 100 B F H <5S- 0 0 23 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.507 102.4-111.6-114.0 -8.2 44.6 8.1 -18.6 292 101 B G S < S- 0 0 34 -6,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.971 75.5-102.7-165.0 164.6 46.0 12.6 -21.7 294 103 B V H > S+ 0 0 43 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.907 123.0 52.2 -61.9 -40.1 46.3 15.2 -19.0 295 104 B E H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 106.5 53.4 -64.9 -39.8 42.8 16.5 -20.0 296 105 B N H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 107.9 50.9 -60.3 -43.3 41.3 13.0 -19.7 297 106 B F H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.957 109.3 50.4 -59.1 -47.1 42.8 12.7 -16.2 298 107 B K H X S+ 0 0 45 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.913 111.4 49.3 -59.8 -37.8 41.2 16.1 -15.3 299 108 B E H X S+ 0 0 113 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.942 113.8 43.7 -64.0 -51.1 37.9 14.9 -16.6 300 109 B Q H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.858 115.5 49.0 -60.1 -42.9 37.9 11.6 -14.7 301 110 B F H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.936 110.8 49.8 -67.4 -44.0 39.1 13.2 -11.5 302 111 B S H X S+ 0 0 21 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.906 111.1 49.7 -60.2 -41.5 36.5 15.9 -11.7 303 112 B K H X S+ 0 0 160 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.926 111.1 48.8 -65.8 -43.2 33.8 13.3 -12.2 304 113 B A H X S+ 0 0 22 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.888 112.4 48.7 -61.7 -44.1 35.0 11.2 -9.2 305 114 B A H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.879 111.9 48.4 -61.7 -42.7 35.1 14.3 -7.0 306 115 B I H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.6 49.6 -67.8 -35.5 31.5 15.4 -8.1 307 116 B A H < S+ 0 0 75 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.552 76.7 115.7 -84.8 -10.3 30.1 11.9 -7.5 308 117 B T < - 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