==== 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 09-SEP-09 3JS4 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAPLASMA PHAGOCYTOPHILUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 826 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 74.0 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 . 88 10.7 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 . 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 . 32 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 3.9 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 0 6 6 8 3 1 4 0 0 0 4 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 . 8 0 0 0 0 0 4 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 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 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 S 0 0 121 0, 0.0 47,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 18.6 14.4 15.0 12.6 2 1 A M - 0 0 139 46,-0.2 49,-0.4 45,-0.1 2,-0.2 -0.981 360.0-105.2-130.5 157.3 13.4 11.3 13.4 3 2 A F - 0 0 7 -2,-0.3 2,-0.3 31,-0.2 47,-0.1 -0.509 41.6-167.9 -75.2 144.6 11.0 9.0 11.6 4 3 A E - 0 0 138 -2,-0.2 2,-0.8 34,-0.0 -1,-0.0 -0.932 30.7-107.8-133.3 154.8 7.6 8.5 13.3 5 4 A L - 0 0 40 -2,-0.3 2,-0.2 22,-0.0 26,-0.1 -0.771 44.5-135.9 -80.3 111.0 4.6 6.2 13.0 6 5 A S - 0 0 51 -2,-0.8 -1,-0.0 1,-0.1 0, 0.0 -0.470 25.0 -97.7 -73.7 141.4 1.9 8.5 11.5 7 6 A D - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.185 37.5-109.5 -55.3 142.2 -1.6 8.5 13.0 8 7 A L - 0 0 35 2,-0.1 -1,-0.1 1,-0.1 78,-0.0 -0.393 20.3-126.1 -60.8 149.7 -4.2 6.4 11.3 9 8 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.460 92.1 23.8 -76.1 1.8 -7.0 8.3 9.6 10 9 A Y S S- 0 0 29 79,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.933 79.0-114.5-156.9 168.5 -9.6 6.4 11.6 11 10 A E S S- 0 0 201 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.715 87.6 -30.4 -83.7 -26.9 -10.0 4.4 14.9 12 11 A G - 0 0 9 2,-0.1 -1,-0.3 10,-0.0 6,-0.1 -0.979 38.7-130.4-178.5 171.8 -10.6 1.1 13.2 13 12 A L B >> -A 17 0A 4 4,-0.5 4,-1.3 -2,-0.3 3,-0.8 -0.055 50.2-167.9-130.9 30.7 -12.0 -0.9 10.2 14 13 A E T 34 + 0 0 102 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 -0.293 59.1 15.7 -69.0 150.3 -14.2 -3.5 12.0 15 14 A P T 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.986 127.7 52.0 -87.0 2.6 -15.6 -6.0 11.3 16 15 A Y T <4 S+ 0 0 70 -3,-0.8 2,-0.4 1,-0.3 -2,-0.2 0.785 124.6 23.6 -69.7 -36.8 -13.5 -6.2 8.0 17 16 A I B < S-A 13 0A 4 -4,-1.3 -4,-0.5 158,-0.0 -1,-0.3 -0.983 97.7-129.3-127.2 119.2 -10.2 -5.8 9.6 18 17 A S > - 0 0 32 -2,-0.4 4,-2.7 -3,-0.2 5,-0.2 -0.181 17.1-112.7 -70.8 163.0 -10.4 -7.0 13.2 19 18 A S H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 119.0 49.7 -57.7 -45.5 -9.1 -4.9 16.1 20 19 A H H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 111.7 47.8 -59.8 -45.5 -6.4 -7.5 16.8 21 20 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.931 112.1 48.7 -66.9 -43.4 -5.2 -7.5 13.1 22 21 A L H X S+ 0 0 12 -4,-2.7 4,-2.4 2,-0.2 5,-0.4 0.909 112.5 49.9 -61.5 -41.6 -5.2 -3.8 12.9 23 22 A D H X>S+ 0 0 72 -4,-2.4 4,-2.1 -5,-0.2 5,-0.7 0.953 113.9 43.2 -62.5 -50.7 -3.2 -3.6 16.1 24 23 A R H X>S+ 0 0 65 -4,-2.6 5,-1.9 3,-0.2 4,-0.7 0.905 117.1 46.0 -64.6 -39.6 -0.6 -6.1 15.1 25 24 A H H <>S+ 0 0 3 -4,-2.6 5,-2.6 3,-0.2 -1,-0.2 0.931 125.4 30.0 -69.8 -44.2 -0.2 -4.8 11.5 26 25 A Y H <>S+ 0 0 25 -4,-2.4 5,-1.9 -5,-0.3 -3,-0.2 0.964 130.8 31.2 -82.9 -57.6 0.1 -1.1 12.6 27 26 A N H <5S+ 0 0 78 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.580 132.6 35.9 -80.4 -11.4 1.7 -1.2 16.1 28 27 A G T X< S+ 0 0 134 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.886 114.0 48.5 -68.7 -41.2 18.6 2.8 13.7 40 39 A L H 3< S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.792 101.0 60.6 -70.8 -35.8 19.9 2.4 10.1 41 40 A V T >< S+ 0 0 6 -4,-2.3 3,-2.2 -5,-0.2 6,-0.6 0.559 72.4 121.8 -74.5 -8.0 20.2 6.0 8.9 42 41 A V T < S+ 0 0 92 -3,-0.6 3,-0.1 -4,-0.3 -3,-0.0 -0.352 84.0 9.4 -59.9 125.9 22.7 7.0 11.7 43 42 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.511 111.2 105.1 82.0 5.9 25.9 8.3 10.0 44 43 A T S X S- 0 0 51 -3,-2.2 3,-1.6 1,-0.0 -1,-0.3 -0.650 90.2 -97.8-111.0 173.3 24.3 8.4 6.6 45 44 A E T 3 S+ 0 0 139 1,-0.3 -3,-0.1 -2,-0.2 -4,-0.1 0.655 121.2 60.4 -61.2 -16.0 23.0 11.2 4.4 46 45 A F T > S+ 0 0 11 -5,-0.2 3,-1.7 2,-0.1 -1,-0.3 0.549 73.9 118.5 -93.5 -7.8 19.6 10.4 5.6 47 46 A E T < S+ 0 0 103 -3,-1.6 3,-0.1 -6,-0.6 -45,-0.1 -0.332 79.7 18.9 -58.0 136.0 20.2 11.1 9.4 48 47 A G T 3 S+ 0 0 42 -47,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.511 95.1 125.6 79.8 4.7 18.1 13.9 10.8 49 48 A L < - 0 0 61 -3,-1.7 -1,-0.3 -48,-0.2 2,-0.2 -0.596 46.8-146.9 -88.2 158.5 15.5 13.7 7.9 50 49 A G > - 0 0 4 -2,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.479 36.4 -73.2-117.7-171.5 11.8 13.2 8.7 51 50 A N G > S+ 0 0 33 -49,-0.4 3,-1.8 1,-0.3 4,-0.3 0.762 121.2 66.8 -56.5 -30.3 8.8 11.5 7.2 52 51 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.711 98.5 54.2 -66.3 -20.7 8.4 14.1 4.5 53 52 A S G <> S+ 0 0 21 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.445 78.0 100.7 -89.1 -1.9 11.7 12.9 3.0 54 53 A L H <> S+ 0 0 2 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.898 80.4 50.3 -54.4 -46.5 10.5 9.2 2.8 55 54 A G H > S+ 0 0 22 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.923 113.7 46.0 -57.2 -46.0 9.7 9.4 -1.0 56 55 A D H > S+ 0 0 99 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.856 111.5 51.6 -61.3 -41.7 13.2 10.8 -1.7 57 56 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.900 104.7 57.3 -66.1 -42.0 14.9 8.3 0.6 58 57 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.937 111.1 41.4 -52.5 -52.7 13.2 5.4 -1.2 59 58 A V H X S+ 0 0 57 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.947 117.1 47.1 -65.9 -48.0 14.6 6.4 -4.6 60 59 A K H X S+ 0 0 107 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.909 113.5 47.1 -62.0 -44.3 18.1 7.3 -3.4 61 60 A A H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 3,-0.3 0.905 112.0 51.0 -64.5 -42.3 18.5 4.1 -1.3 62 61 A H H >< S+ 0 0 81 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.935 107.9 52.2 -60.1 -46.3 17.3 1.9 -4.2 63 62 A N H 3< S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 99.8 66.3 -61.9 -25.2 19.7 3.6 -6.6 64 63 A S T >< S- 0 0 61 -4,-1.2 3,-0.9 -3,-0.3 -1,-0.3 0.610 87.6-160.7 -72.1 -14.5 22.6 2.8 -4.2 65 64 A G G X> + 0 0 25 -3,-1.7 3,-1.0 -4,-0.4 4,-0.6 -0.482 66.8 4.0 69.3-132.3 22.3 -1.0 -4.6 66 65 A S G >4 S+ 0 0 101 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.842 130.0 56.7 -58.4 -41.5 23.8 -3.1 -1.8 67 66 A A G <4 S+ 0 0 89 -3,-0.9 -1,-0.3 1,-0.2 4,-0.2 0.808 117.8 33.3 -59.7 -32.8 24.8 -0.1 0.4 68 67 A G G <> S+ 0 0 4 -3,-1.0 4,-3.0 -7,-0.3 -1,-0.2 0.369 86.8 102.6-107.2 6.3 21.2 1.2 0.5 69 68 A R H S+ 0 0 51 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.918 116.4 48.8 -64.4 -41.5 18.2 -2.2 4.2 71 70 A I H > S+ 0 0 16 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.938 112.9 48.7 -62.5 -45.3 17.4 1.5 4.2 72 71 A F H X S+ 0 0 11 -4,-3.0 4,-2.9 1,-0.2 5,-0.4 0.952 109.3 51.4 -56.5 -53.9 15.3 1.1 1.0 73 72 A N H X S+ 0 0 26 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.901 117.3 39.3 -51.5 -46.9 13.4 -1.9 2.4 74 73 A N H X S+ 0 0 21 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 117.4 45.6 -74.2 -46.1 12.5 -0.0 5.6 75 74 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.916 115.5 49.1 -59.4 -45.0 11.8 3.5 4.1 76 75 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.3 5,-0.2 0.912 109.8 50.9 -64.6 -43.2 9.7 1.9 1.3 77 76 A Q H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.4 -1,-0.2 0.880 110.8 48.9 -63.9 -34.3 7.7 -0.2 3.8 78 77 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.964 114.2 45.2 -67.0 -49.0 6.9 2.9 5.9 79 78 A W H X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 114.0 50.4 -57.8 -47.3 5.9 4.9 2.8 80 79 A N H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.885 111.2 46.9 -60.2 -44.9 3.8 1.9 1.5 81 80 A H H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.907 109.6 53.5 -65.6 -40.0 2.0 1.3 4.8 82 81 A D H X S+ 0 0 30 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.939 112.7 45.7 -57.6 -44.6 1.2 5.1 5.2 83 82 A F H X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 81,-0.3 0.881 109.8 55.1 -65.6 -39.6 -0.3 4.9 1.6 84 83 A Y H < S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.907 106.0 50.1 -61.9 -46.9 -2.2 1.7 2.5 85 84 A W H >< S+ 0 0 7 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.883 111.3 48.7 -62.5 -37.9 -4.0 3.2 5.5 86 85 A Q H 3< S+ 0 0 86 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.703 100.7 68.2 -69.9 -19.9 -5.1 6.2 3.4 87 86 A S T 3< S+ 0 0 0 -4,-1.1 106,-2.1 -3,-0.5 2,-0.3 0.332 102.3 49.9 -81.1 3.2 -6.3 3.8 0.8 88 87 A M B < +B 192 0B 2 -3,-1.1 104,-0.2 104,-0.3 103,-0.1 -0.924 59.8 175.6-136.4 160.9 -9.1 2.5 3.1 89 88 A K > - 0 0 62 102,-1.4 3,-1.2 -2,-0.3 2,-0.1 -0.968 43.9 -85.9-153.3 160.5 -11.8 4.1 5.2 90 89 A P T 3 S+ 0 0 59 0, 0.0 -77,-0.1 0, 0.0 101,-0.1 -0.471 120.9 20.4 -60.4 143.9 -14.7 2.9 7.4 91 90 A N T 3 S+ 0 0 159 99,-0.1 100,-0.2 1,-0.1 -78,-0.0 0.846 100.9 141.1 59.0 33.6 -17.7 2.5 5.0 92 91 A G < + 0 0 10 98,-1.5 100,-0.3 -3,-1.2 101,-0.2 -0.040 26.4 54.4 -86.3-164.6 -15.4 2.2 2.1 93 92 A G + 0 0 15 99,-3.0 96,-0.3 97,-0.2 97,-0.2 -0.219 60.8 95.5 74.0-166.4 -15.5 0.0 -1.0 94 93 A G S S- 0 0 38 94,-1.5 -1,-0.1 100,-0.0 96,-0.1 -0.314 83.2 -12.6 80.5-163.0 -18.5 -0.3 -3.4 95 94 A N S S- 0 0 131 1,-0.1 99,-0.1 94,-0.1 3,-0.1 -0.390 74.4-105.3 -74.5 146.5 -18.9 1.6 -6.7 96 95 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.350 44.2 -93.5 -66.3 151.4 -16.7 4.6 -7.6 97 96 A P >> - 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.236 40.6-101.3 -58.7 156.6 -18.2 8.1 -7.4 98 97 A E H >> S+ 0 0 88 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.820 119.8 60.7 -45.2 -43.8 -19.7 9.7 -10.6 99 98 A K H 34 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.577 109.8 42.8 -71.1 -8.4 -16.6 11.8 -11.3 100 99 A L H <> S+ 0 0 0 -3,-2.1 4,-2.1 2,-0.1 -1,-0.2 0.565 89.3 91.6-104.3 -15.6 -14.5 8.6 -11.6 101 100 A R H S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 39,-0.4 0.879 113.3 48.1 -61.4 -38.7 -12.1 6.9 -16.5 104 103 A I H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 6,-0.3 0.938 115.1 44.9 -64.8 -48.2 -12.9 3.6 -14.8 105 104 A E H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.897 113.8 49.6 -62.4 -46.2 -15.0 2.5 -17.8 106 105 A H H < S+ 0 0 135 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.896 118.4 38.9 -55.9 -45.3 -12.5 3.7 -20.3 107 106 A S H < S+ 0 0 26 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.838 133.7 17.5 -81.8 -35.9 -9.6 1.9 -18.6 108 107 A F H < S- 0 0 35 -4,-2.7 2,-0.7 -5,-0.2 -3,-0.2 0.284 96.7-114.4-122.2 7.6 -11.2 -1.4 -17.5 109 108 A G S < S- 0 0 61 -4,-1.8 2,-0.3 -5,-0.2 -4,-0.2 -0.169 87.3 -10.1 86.0 -42.5 -14.4 -1.7 -19.7 110 109 A S S > S- 0 0 46 -2,-0.7 4,-1.9 -6,-0.3 5,-0.1 -0.966 80.8 -84.9-169.3 173.8 -16.6 -1.4 -16.5 111 110 A V H > S+ 0 0 30 -2,-0.3 4,-2.6 2,-0.2 3,-0.4 0.960 129.4 51.2 -56.0 -50.2 -16.6 -1.4 -12.7 112 111 A E H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 106.0 56.5 -57.9 -38.2 -16.8 -5.2 -12.8 113 112 A G H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 107.8 48.1 -58.0 -41.9 -13.7 -5.1 -15.2 114 113 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 -3,-0.4 5,-0.3 0.962 110.2 50.3 -62.1 -51.4 -11.8 -3.1 -12.6 115 114 A N H X S+ 0 0 50 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 112.0 49.7 -54.2 -43.0 -12.8 -5.5 -9.7 116 115 A N H X S+ 0 0 90 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.886 112.2 45.7 -64.0 -39.9 -11.6 -8.4 -11.9 117 116 A A H X S+ 0 0 32 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 114.4 48.1 -70.5 -43.7 -8.3 -6.8 -12.8 118 117 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.904 114.8 45.5 -62.7 -42.3 -7.6 -5.8 -9.2 119 118 A T H X S+ 0 0 17 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.927 113.0 49.6 -69.1 -44.1 -8.5 -9.3 -7.9 120 119 A T H X S+ 0 0 99 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.870 110.6 51.5 -59.5 -41.5 -6.5 -11.1 -10.5 121 120 A S H X S+ 0 0 19 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.912 109.9 48.8 -67.0 -40.4 -3.5 -8.9 -9.7 122 121 A G H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.894 114.4 43.3 -67.3 -40.1 -3.7 -9.6 -6.0 123 122 A L H < S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.696 111.3 59.3 -77.8 -18.0 -3.9 -13.4 -6.4 124 123 A G H < S+ 0 0 59 -4,-1.2 2,-1.0 -5,-0.2 -1,-0.2 0.623 79.1 93.3 -85.8 -18.0 -1.2 -13.2 -9.1 125 124 A Q S < S- 0 0 30 -4,-0.9 2,-0.3 -3,-0.5 4,-0.1 -0.684 70.7-149.9 -81.9 103.2 1.5 -11.7 -6.8 126 125 A F - 0 0 43 -2,-1.0 2,-0.2 2,-0.1 -2,-0.1 -0.525 60.1 -8.0 -81.3 134.1 3.4 -14.7 -5.6 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43.6-136.9 -85.5 108.4 -4.9 -9.9 -53.1 214 5 B S - 0 0 40 -2,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.385 24.7 -99.4 -68.9 144.1 -2.3 -7.7 -51.5 215 6 B D - 0 0 152 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.234 35.8-113.9 -57.9 144.5 1.3 -7.8 -52.9 216 7 B L - 0 0 36 2,-0.2 -1,-0.1 1,-0.1 78,-0.1 -0.426 18.5-124.7 -68.0 156.5 3.9 -9.9 -51.2 217 8 B P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.510 91.4 29.7 -80.4 -2.2 6.8 -8.1 -49.6 218 9 B Y S S- 0 0 19 1,-0.1 -2,-0.2 79,-0.0 3,-0.1 -0.917 76.9-118.3-149.6 165.6 9.3 -10.2 -51.7 219 10 B E S S- 0 0 195 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.720 87.9 -34.7 -77.4 -28.1 9.7 -12.0 -55.0 220 11 B G - 0 0 14 2,-0.1 -1,-0.3 10,-0.0 6,-0.1 -0.980 39.4-124.5 178.3 173.7 10.2 -15.3 -53.3 221 12 B L B >> -E 225 0D 5 4,-0.6 4,-1.8 -2,-0.3 3,-1.1 -0.081 51.7-164.0-133.2 30.3 11.6 -17.3 -50.4 222 13 B E T 34 + 0 0 116 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 -0.334 59.6 11.5 -67.9 145.7 13.7 -19.9 -52.2 223 14 B P T 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.969 128.3 51.8 -94.6 11.7 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