==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-AUG-11 3TJT . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR W.LI,C.LEI,T.L.YING,H.F.WANG,X.S.TAN . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 70.3 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 . 18 8.9 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 . 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 . 1 0.5 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 1 0 1 2 0 1 0 1 1 0 0 0 0 1 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 . 1 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 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 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 29 A N 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.3 41.5 -35.8 -51.9 2 30 A N + 0 0 81 2,-0.0 3,-0.1 3,-0.0 2,-0.0 0.018 360.0 133.1-101.3 25.8 38.1 -34.7 -50.7 3 31 A K - 0 0 74 1,-0.1 2,-0.1 49,-0.0 48,-0.0 -0.342 67.5 -91.4 -70.6 157.7 39.1 -34.7 -47.0 4 32 A F - 0 0 31 33,-0.2 2,-0.3 34,-0.0 -1,-0.1 -0.411 48.0-155.2 -68.1 146.4 38.1 -31.7 -44.9 5 33 A K - 0 0 127 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.0 -0.915 19.6-110.6-128.2 152.7 40.7 -28.9 -44.8 6 34 A V - 0 0 26 -2,-0.3 28,-0.0 28,-0.0 3,-0.0 -0.698 35.7-129.1 -76.0 124.1 41.8 -26.1 -42.5 7 35 A K - 0 0 89 -2,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.614 30.2-111.0 -72.1 127.2 40.9 -22.8 -44.1 8 36 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.306 43.6 -88.7 -58.6 143.5 44.1 -20.6 -44.0 9 37 A L - 0 0 21 1,-0.2 4,-0.1 -3,-0.0 79,-0.0 -0.295 35.0-134.1 -54.1 133.2 43.7 -17.6 -41.6 10 38 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.330 82.1 19.1 -77.8 7.5 42.2 -14.7 -43.6 11 39 A Y S S- 0 0 32 80,-0.1 5,-0.1 81,-0.0 -2,-0.0 -0.930 104.1 -59.7-161.0 173.5 44.7 -12.1 -42.3 12 40 A A > - 0 0 55 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.284 48.8-116.2 -63.8 153.4 48.1 -12.0 -40.6 13 41 A Y T 3 S+ 0 0 53 1,-0.3 3,-0.3 2,-0.1 12,-0.2 0.752 117.9 43.6 -65.8 -23.0 48.4 -13.8 -37.2 14 42 A D T > S+ 0 0 85 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.279 84.2 103.0 -99.3 10.5 49.2 -10.5 -35.5 15 43 A A T < S+ 0 0 28 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.740 77.7 52.8 -68.5 -22.0 46.4 -8.6 -37.4 16 44 A L T >> S+ 0 0 1 -3,-0.3 3,-1.8 -4,-0.3 4,-1.6 0.356 90.0 157.9 -99.6 5.6 44.0 -8.6 -34.4 17 45 A E T <4 + 0 0 78 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.456 54.5 23.6 -65.3 146.0 46.5 -7.1 -31.9 18 46 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.918 125.8 51.0 -95.9 21.3 46.1 -5.7 -29.4 19 47 A Y T <4 S+ 0 0 72 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.856 124.7 18.4 -84.3 -38.0 42.7 -7.2 -29.0 20 48 A I S < S- 0 0 6 -4,-1.6 -1,-0.3 -6,-0.1 -4,-0.2 -0.993 90.4-120.1-132.0 127.7 43.8 -10.8 -29.5 21 49 A D > - 0 0 15 -2,-0.4 4,-2.1 -3,-0.2 3,-0.2 -0.294 13.1-125.7 -70.7 148.6 47.5 -11.8 -29.2 22 50 A K H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.849 109.5 58.0 -58.1 -38.3 49.5 -13.3 -32.1 23 51 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 108.0 46.8 -62.5 -41.2 50.5 -16.3 -30.0 24 52 A T H > S+ 0 0 2 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.900 108.8 54.0 -67.5 -41.0 46.9 -17.2 -29.4 25 53 A M H X S+ 0 0 1 -4,-2.1 4,-2.4 -12,-0.2 5,-0.4 0.925 110.2 48.7 -58.7 -42.0 46.0 -16.8 -33.0 26 54 A K H X S+ 0 0 89 -4,-2.3 4,-2.4 2,-0.2 5,-0.5 0.942 117.4 39.4 -61.7 -49.6 48.8 -19.2 -33.9 27 55 A L H X>S+ 0 0 78 -4,-2.3 5,-2.2 3,-0.2 4,-1.9 0.937 116.1 51.1 -66.1 -46.5 47.7 -21.8 -31.3 28 56 A H H <>S+ 0 0 5 -4,-3.4 5,-2.4 3,-0.2 -2,-0.2 0.919 123.7 28.0 -61.4 -45.4 44.0 -21.4 -31.9 29 57 A H H <>S+ 0 0 9 -4,-2.4 5,-1.2 -5,-0.3 -2,-0.2 0.943 127.4 39.0 -81.5 -50.6 44.3 -21.8 -35.7 30 58 A D H <5S+ 0 0 56 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.741 131.8 20.3 -79.8 -25.0 47.4 -24.0 -36.2 31 59 A K T X5S+ 0 0 139 -4,-1.9 4,-2.0 -5,-0.5 -3,-0.2 0.814 129.1 33.7-105.7 -59.7 46.8 -26.4 -33.2 32 60 A H H >< S+ 0 0 53 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.910 108.0 50.6 -61.4 -44.0 40.2 -39.8 -39.1 43 71 A A H >< S+ 0 0 20 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.771 108.1 53.2 -66.0 -28.1 36.7 -40.7 -38.0 44 72 A L H >< S+ 0 0 0 -4,-1.5 3,-1.1 -3,-0.2 6,-0.3 0.519 79.7 90.9 -89.6 -4.0 35.3 -40.6 -41.5 45 73 A E T << S+ 0 0 120 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.846 87.3 53.9 -56.9 -32.3 37.9 -43.0 -43.0 46 74 A K T < S+ 0 0 137 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.723 120.0 31.6 -73.3 -24.3 35.4 -45.8 -42.1 47 75 A Y S X S+ 0 0 54 -3,-1.1 3,-2.5 -4,-0.2 -1,-0.3 -0.576 70.9 173.2-133.6 68.5 32.7 -44.1 -44.1 48 76 A P G > S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.682 70.5 72.7 -62.2 -18.9 34.4 -42.2 -46.9 49 77 A E G > S+ 0 0 139 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.778 85.8 69.0 -62.6 -23.1 31.1 -41.2 -48.6 50 78 A L G X S+ 0 0 7 -3,-2.5 3,-1.5 1,-0.3 -1,-0.3 0.681 79.5 75.0 -71.1 -15.2 30.7 -38.7 -45.7 51 79 A Y G < S+ 0 0 18 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.714 90.5 60.4 -65.6 -17.8 33.7 -36.7 -47.1 52 80 A N G < S+ 0 0 117 -3,-1.6 -1,-0.3 -4,-0.3 2,-0.2 0.521 86.8 90.2 -89.2 -5.6 31.1 -35.6 -49.7 53 81 A Y S < S- 0 0 89 -3,-1.5 2,-0.1 -4,-0.1 3,-0.0 -0.605 81.6-121.8 -77.2 150.3 28.8 -34.0 -47.0 54 82 A S > - 0 0 53 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.483 27.5-107.8 -79.0 164.0 29.4 -30.4 -46.2 55 83 A L H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 123.4 54.1 -58.6 -39.8 30.2 -29.6 -42.5 56 84 A C H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 106.2 50.8 -61.0 -42.9 26.8 -28.1 -42.3 57 85 A E H > S+ 0 0 87 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.903 110.0 50.2 -62.2 -42.0 25.2 -31.3 -43.6 58 86 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.950 112.6 46.7 -57.9 -48.0 27.1 -33.2 -41.0 59 87 A L H 3< S+ 0 0 3 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.769 110.9 52.6 -67.5 -25.7 25.9 -30.9 -38.3 60 88 A Q H 3< S+ 0 0 103 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.541 115.3 40.4 -84.9 -9.0 22.3 -31.0 -39.5 61 89 A N XX + 0 0 66 -3,-1.1 3,-1.8 -4,-0.7 4,-0.9 0.025 68.7 126.7-130.6 28.6 22.2 -34.8 -39.4 62 90 A L G >4 S+ 0 0 24 -3,-0.5 3,-0.6 1,-0.3 12,-0.1 0.857 76.0 53.2 -56.9 -39.6 24.0 -35.8 -36.3 63 91 A D G 34 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.505 112.6 44.2 -79.0 -4.0 21.1 -37.9 -35.0 64 92 A S G <4 S+ 0 0 87 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.414 87.2 104.8-117.9 -1.0 21.0 -39.9 -38.3 65 93 A L S << S- 0 0 8 -4,-0.9 5,-0.1 -3,-0.6 -3,-0.0 -0.323 94.1 -69.7 -67.0 161.9 24.7 -40.6 -38.8 66 94 A P >> - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.312 50.4-120.6 -54.2 137.7 26.0 -44.1 -38.1 67 95 A K G >4 S+ 0 0 179 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.787 105.1 62.0 -54.8 -34.9 25.8 -44.6 -34.3 68 96 A D G 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.675 114.6 30.5 -74.7 -15.7 29.6 -45.3 -33.9 69 97 A I G <> S+ 0 0 7 -3,-1.7 4,-2.7 2,-0.1 5,-0.3 0.416 87.9 101.5-117.8 0.1 30.7 -41.9 -35.1 70 98 A A H S+ 0 0 94 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.923 114.6 50.3 -70.1 -43.1 29.5 -38.1 -31.1 72 100 A T H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.881 113.1 47.8 -65.9 -34.7 33.0 -37.7 -32.6 73 101 A V H X>S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.9 0.923 108.8 54.0 -69.5 -42.5 31.4 -36.0 -35.6 74 102 A R H X5S+ 0 0 111 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.950 116.6 38.5 -52.7 -49.6 29.4 -33.7 -33.3 75 103 A N H X5S+ 0 0 64 -4,-2.5 4,-1.9 3,-0.2 -2,-0.2 0.917 125.6 33.8 -71.4 -42.5 32.5 -32.6 -31.5 76 104 A N H X5S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 -3,-0.2 0.872 119.9 45.5 -91.6 -38.6 35.0 -32.4 -34.4 77 105 A A H X5S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.4 5,-0.3 0.879 115.6 53.2 -64.1 -36.6 32.8 -31.3 -37.3 78 106 A G H X< S+ 0 0 5 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.885 113.3 52.4 -66.5 -32.2 38.2 -16.7 -37.9 88 116 A D H 3< S+ 0 0 56 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.764 102.8 58.6 -69.3 -25.1 36.0 -15.5 -40.8 89 117 A I T 3< S+ 0 0 2 -4,-1.3 102,-3.2 -3,-0.4 2,-0.3 0.383 98.5 70.8 -92.4 5.5 33.9 -13.3 -38.5 90 118 A M B < +A 190 0A 2 -3,-1.0 100,-0.2 -4,-0.3 99,-0.1 -0.865 58.0 170.0-116.2 156.7 36.9 -11.2 -37.3 91 119 A T - 0 0 17 98,-2.1 4,-0.1 -2,-0.3 -80,-0.1 -0.978 41.6-135.0-161.1 148.5 38.9 -8.7 -39.3 92 120 A P S S+ 0 0 57 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.625 84.4 95.1 -76.9 -13.6 41.6 -6.0 -38.8 93 121 A E S S- 0 0 131 96,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.416 86.7-108.2 -75.1 152.6 39.5 -3.7 -41.0 94 122 A K + 0 0 206 -2,-0.1 2,-0.3 97,-0.1 -1,-0.1 -0.711 48.9 166.0 -82.3 127.4 37.1 -1.2 -39.6 95 123 A T - 0 0 25 -2,-0.5 95,-0.1 95,-0.3 -4,-0.0 -0.963 17.6-168.6-139.1 155.2 33.5 -2.2 -40.1 96 124 A I - 0 0 127 -2,-0.3 6,-0.1 95,-0.1 2,-0.0 -0.946 39.2 -83.3-138.9 160.4 30.1 -1.2 -38.8 97 125 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 96,-0.1 -0.369 57.8 164.6 -60.9 144.2 26.6 -2.7 -39.0 98 126 A S >> + 0 0 34 94,-0.3 4,-1.7 95,-0.0 3,-0.9 -0.949 32.8 3.8-151.4 170.8 24.7 -1.8 -42.2 99 127 A E H 3> S- 0 0 108 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.075 119.9 -9.7 54.0-142.4 21.7 -2.6 -44.5 100 128 A S H 3> S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.787 136.0 54.1 -65.1 -28.6 19.3 -5.3 -43.5 101 129 A L H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.931 107.8 49.9 -70.9 -43.8 21.4 -6.5 -40.6 102 130 A K H X S+ 0 0 105 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.925 114.7 45.2 -55.9 -45.8 21.6 -3.1 -39.0 103 131 A E H X S+ 0 0 136 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.902 110.9 52.3 -66.7 -40.9 17.9 -2.7 -39.3 104 132 A A H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.872 106.4 54.2 -64.9 -38.2 17.1 -6.2 -38.0 105 133 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.5 0.938 111.1 44.7 -61.8 -45.7 19.2 -5.6 -34.9 106 134 A D H X S+ 0 0 72 -4,-1.7 4,-1.5 3,-0.2 -2,-0.2 0.917 115.5 49.6 -62.8 -42.0 17.3 -2.4 -34.1 107 135 A R H < S+ 0 0 145 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.928 120.4 33.0 -61.2 -47.1 14.0 -4.3 -34.8 108 136 A D H < S+ 0 0 28 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.702 133.3 25.0 -92.1 -20.4 14.8 -7.3 -32.7 109 137 A F H < S- 0 0 25 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.477 98.1-120.3-119.6 -8.0 16.8 -5.8 -29.8 110 138 A G S < S+ 0 0 47 -4,-1.5 2,-0.3 -5,-0.5 -4,-0.1 -0.227 84.3 3.7 95.6 -45.0 15.6 -2.2 -29.8 111 139 A S S > S- 0 0 37 -2,-0.3 4,-2.1 -6,-0.3 5,-0.1 -0.975 75.5-104.2-161.4 166.8 19.1 -0.8 -30.5 112 140 A F H > S+ 0 0 64 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.897 119.8 54.9 -63.8 -40.0 22.7 -1.8 -31.2 113 141 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 108.4 47.6 -62.9 -38.6 23.7 -1.0 -27.6 114 142 A K H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 111.9 50.4 -69.1 -41.0 20.9 -3.2 -26.2 115 143 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.934 111.2 49.3 -56.8 -48.3 22.0 -6.0 -28.5 116 144 A K H X S+ 0 0 49 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.905 109.1 50.8 -62.0 -43.9 25.6 -5.6 -27.4 117 145 A Q H X S+ 0 0 117 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.902 112.8 46.9 -61.8 -40.3 24.8 -5.6 -23.7 118 146 A E H X S+ 0 0 94 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 112.7 48.6 -68.7 -42.2 22.8 -8.8 -24.1 119 147 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.937 111.2 50.5 -62.4 -45.9 25.5 -10.5 -26.2 120 148 A Q H X S+ 0 0 43 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.907 111.8 47.3 -61.2 -42.0 28.2 -9.6 -23.7 121 149 A K H X S+ 0 0 127 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.899 111.7 49.9 -66.1 -41.9 26.2 -11.0 -20.7 122 150 A S H X S+ 0 0 31 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.919 112.6 47.7 -62.4 -42.7 25.4 -14.2 -22.5 123 151 A A H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.889 112.5 49.4 -63.2 -40.7 29.1 -14.7 -23.4 124 152 A L H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.2 52.7 -67.7 -33.5 30.1 -13.9 -19.8 125 153 A D H 3< S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.511 73.2 120.0 -87.3 -5.6 27.6 -16.4 -18.4 126 154 A V << - 0 0 15 -3,-0.7 2,-0.6 -4,-0.6 4,-0.1 -0.444 57.9-144.9 -58.8 124.6 28.6 -19.4 -20.4 127 155 A F - 0 0 206 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.869 62.5 -13.0-102.1 120.3 29.7 -22.0 -17.8 128 156 A G S S- 0 0 46 -2,-0.6 2,-0.3 38,-0.1 -2,-0.0 -0.696 119.7 -15.6 89.3-150.4 32.5 -24.2 -18.8 129 157 A S S S+ 0 0 37 -2,-0.3 20,-2.4 38,-0.1 2,-0.3 -0.651 88.1 94.2 -89.9 142.6 33.6 -24.3 -22.5 130 158 A G E -B 148 0B 0 18,-0.3 36,-2.6 -2,-0.3 37,-0.3 -0.995 55.4 -85.6 168.7-159.6 31.3 -22.9 -25.3 131 159 A W E -BC 147 165B 0 16,-2.4 16,-1.9 -2,-0.3 2,-0.4 -0.952 15.6-141.1-140.2 148.5 30.2 -20.1 -27.6 132 160 A A E -BC 146 164B 0 32,-2.1 32,-2.7 -2,-0.3 2,-0.4 -0.960 30.6-168.4-111.4 139.7 27.9 -17.1 -27.7 133 161 A W E -BC 145 163B 0 12,-3.1 12,-1.9 -2,-0.4 2,-0.6 -0.948 31.2-148.8-131.7 143.4 25.9 -16.6 -30.9 134 162 A L E +BC 144 162B 0 28,-2.7 27,-3.4 -2,-0.4 28,-1.0 -0.970 42.4 179.6 -97.4 122.2 23.8 -14.0 -32.7 135 163 A V E -BC 143 160B 0 8,-2.8 8,-2.0 -2,-0.6 2,-0.4 -0.855 21.9-148.5-126.8 159.9 21.5 -16.3 -34.7 136 164 A A E -BC 142 159B 0 23,-1.9 23,-2.7 -2,-0.3 6,-0.2 -0.977 14.1-132.0-126.5 141.6 18.6 -15.9 -37.2 137 165 A T > - 0 0 42 4,-1.9 3,-2.1 -2,-0.4 21,-0.1 -0.312 46.4 -91.1 -72.7 172.3 15.6 -18.1 -37.9 138 166 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 19,-0.3 20,-0.1 0.796 129.8 54.2 -57.5 -26.6 14.9 -18.9 -41.5 139 167 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 63,-0.0 63,-0.0 0.401 122.5-103.7 -92.3 2.0 12.6 -15.9 -41.6 140 168 A G < + 0 0 4 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.534 67.3 149.2 93.5 7.8 15.4 -13.5 -40.4 141 169 A K - 0 0 99 1,-0.0 -4,-1.9 -34,-0.0 -1,-0.3 -0.614 38.1-139.6 -74.4 130.1 14.3 -13.0 -36.8 142 170 A L E +B 136 0B 7 -2,-0.3 2,-0.3 -38,-0.2 -6,-0.2 -0.675 29.9 156.9 -96.5 146.9 17.4 -12.4 -34.6 143 171 A S E -B 135 0B 51 -8,-2.0 -8,-2.8 -2,-0.3 2,-0.4 -0.961 35.8-118.3-152.5 166.0 18.1 -13.8 -31.1 144 172 A I E +B 134 0B 20 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.935 39.1 158.9-109.6 134.0 21.1 -14.5 -28.9 145 173 A M E -B 133 0B 35 -12,-1.9 -12,-3.1 -2,-0.4 2,-0.3 -0.959 26.3-136.9-144.1 164.2 21.9 -18.0 -27.7 146 174 A T E -B 132 0B 61 -2,-0.3 -14,-0.2 -14,-0.2 6,-0.0 -0.859 8.9-158.8-120.1 159.0 24.8 -20.0 -26.4 147 175 A T E -B 131 0B 7 -16,-1.9 -16,-2.4 -2,-0.3 2,-0.2 -0.983 19.2-122.7-130.7 148.5 26.1 -23.5 -27.1 148 176 A P E > S-B 130 0B 69 0, 0.0 3,-2.5 0, 0.0 -18,-0.3 -0.601 71.6 -23.6 -86.0 152.7 28.3 -25.8 -24.9 149 177 A N T 3 S- 0 0 78 -20,-2.4 -2,-0.1 1,-0.3 18,-0.1 -0.259 127.7 -27.7 55.2-123.9 31.6 -27.2 -26.1 150 178 A Q T 3 S+ 0 0 4 2,-0.1 -1,-0.3 -20,-0.1 -68,-0.2 0.104 96.0 135.5-112.1 23.5 31.6 -27.4 -29.9 151 179 A D < - 0 0 27 -3,-2.5 -4,-0.1 -73,-0.0 -20,-0.1 -0.341 42.6-146.5 -63.5 152.1 27.8 -27.7 -30.4 152 180 A S > - 0 0 4 -93,-0.1 3,-1.5 1,-0.1 4,-0.2 -0.957 24.2-131.7-130.2 144.3 26.4 -25.4 -33.1 153 181 A P G > >S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-2.1 0.753 104.3 75.0 -58.3 -26.2 23.2 -23.5 -33.7 154 182 A V G > 5S+ 0 0 10 1,-0.3 3,-1.5 3,-0.2 5,-0.1 0.832 87.3 60.3 -55.6 -33.7 23.2 -25.1 -37.2 155 183 A S G < 5S+ 0 0 46 -3,-1.5 -1,-0.3 1,-0.3 -93,-0.0 0.611 105.4 48.0 -71.7 -12.7 22.1 -28.3 -35.5 156 184 A K G < 5S- 0 0 147 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.056 122.4-103.9-113.6 22.4 19.0 -26.5 -34.3 157 185 A N T < 5S+ 0 0 97 -3,-1.5 2,-0.4 1,-0.2 -19,-0.3 0.765 81.6 130.6 59.8 28.4 18.1 -24.9 -37.6 158 186 A L < - 0 0 37 -5,-2.2 -1,-0.2 -21,-0.1 -2,-0.2 -0.906 54.3-134.0-109.8 141.9 19.4 -21.6 -36.5 159 187 A T E -C 136 0B 48 -23,-2.7 -23,-1.9 -2,-0.4 2,-0.2 -0.847 17.2-129.0-103.1 120.7 21.8 -19.6 -38.7 160 188 A P E +C 135 0B 4 0, 0.0 -25,-0.2 0, 0.0 3,-0.1 -0.473 29.1 172.3 -69.6 133.5 24.9 -18.1 -37.0 161 189 A I E S- 0 0 0 -27,-3.4 2,-0.3 1,-0.6 37,-0.2 0.792 74.3 -6.7-106.3 -56.0 25.4 -14.4 -37.9 162 190 A I E S-C 134 0B 0 -28,-1.0 -28,-2.7 36,-0.1 -1,-0.6 -0.948 71.2-175.9-129.2 163.0 28.2 -13.6 -35.5 163 191 A G E -C 133 0B 0 -2,-0.3 2,-0.4 -30,-0.2 -30,-0.2 -0.981 13.8-148.4-157.2 147.3 29.7 -15.9 -32.8 164 192 A L E -C 132 0B 0 -32,-2.7 -32,-2.1 -2,-0.3 2,-0.5 -0.979 15.0-136.5-125.6 124.8 32.3 -15.7 -30.0 165 193 A D E +C 131 0B 0 -2,-0.4 -34,-0.2 -34,-0.2 -2,-0.0 -0.661 23.4 174.9 -75.3 117.8 34.5 -18.5 -28.8 166 194 A V + 0 0 0 -36,-2.6 -35,-0.2 -2,-0.5 -1,-0.1 0.151 33.0 127.9-115.9 20.9 34.7 -18.5 -24.9 167 195 A W S > S- 0 0 48 -37,-0.3 3,-1.6 -38,-0.2 4,-0.3 -0.466 74.0-115.3 -57.9 146.6 36.6 -21.6 -24.4 168 196 A E G >> S+ 0 0 116 1,-0.3 4,-2.5 2,-0.2 3,-1.6 0.819 112.8 67.9 -63.6 -27.8 39.5 -20.6 -22.2 169 197 A H G 34 S+ 0 0 43 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.784 93.3 62.4 -60.2 -21.5 42.1 -21.4 -24.9 170 198 A A G <4 S+ 0 0 3 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.676 125.1 6.4 -78.7 -16.7 40.6 -18.4 -26.8 171 199 A Y T <>>S+ 0 0 6 -3,-1.6 4,-2.8 -4,-0.3 5,-0.6 0.478 95.7 98.4-143.3 -6.3 41.6 -15.9 -24.2 172 200 A Y H X5S+ 0 0 112 -4,-2.5 4,-1.4 1,-0.2 -3,-0.1 0.863 80.6 56.9 -68.1 -36.3 43.7 -17.2 -21.4 173 201 A L H 45S+ 0 0 100 -4,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.892 123.6 22.9 -62.7 -38.8 47.2 -16.1 -22.6 174 202 A K H 45S+ 0 0 70 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.851 140.0 22.5 -93.4 -39.4 46.2 -12.5 -22.8 175 203 A Y H ><5S- 0 0 8 -4,-2.8 3,-2.5 1,-0.2 -3,-0.2 0.534 77.7-170.0-109.5 -10.1 43.2 -12.1 -20.4 176 204 A Q T 3< + 0 0 77 -3,-2.5 4,-1.3 1,-0.2 3,-1.1 -0.372 37.5 156.7 -83.2 64.6 39.2 -11.9 -17.1 179 207 A R H 3> + 0 0 26 -2,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.852 67.3 66.4 -59.0 -34.1 36.8 -13.1 -19.7 180 208 A N H 3> S+ 0 0 85 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.862 101.0 48.1 -54.0 -39.1 34.8 -9.9 -19.5 181 209 A E H <> S+ 0 0 78 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.869 110.5 51.3 -72.3 -37.6 37.8 -7.9 -20.9 182 210 A Y H X S+ 0 0 2 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.929 110.9 48.6 -60.7 -47.3 38.2 -10.4 -23.7 183 211 A I H X S+ 0 0 2 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.944 112.7 46.8 -61.3 -48.6 34.5 -10.1 -24.6 184 212 A D H >< S+ 0 0 77 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.925 114.0 47.7 -60.8 -44.4 34.5 -6.3 -24.6 185 213 A N H >< S+ 0 0 48 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.808 99.3 69.1 -66.5 -29.4 37.7 -6.1 -26.7 186 214 A W H >X S+ 0 0 2 -4,-1.9 3,-2.1 1,-0.3 4,-0.7 0.805 84.0 69.9 -62.6 -30.5 36.4 -8.6 -29.2 187 215 A F T << S+ 0 0 18 -4,-0.8 -1,-0.3 -3,-0.8 3,-0.3 0.728 88.0 66.8 -62.8 -18.5 33.8 -6.1 -30.5 188 216 A N T <4 S+ 0 0 93 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.698 108.0 37.9 -71.4 -18.6 36.7 -4.1 -32.0 189 217 A V T <4 S+ 0 0 3 -3,-2.1 -98,-2.1 -4,-0.3 -2,-0.2 0.411 80.1 127.4-114.9 0.9 37.4 -6.9 -34.4 190 218 A V B < -A 90 0A 4 -4,-0.7 2,-1.2 -3,-0.3 -100,-0.3 -0.390 58.5-134.2 -58.0 131.2 33.9 -8.2 -35.3 191 219 A N > + 0 0 30 -102,-3.2 4,-2.3 1,-0.2 3,-0.2 -0.739 26.2 179.3 -90.4 92.3 33.6 -8.2 -39.1 192 220 A W H > S+ 0 0 10 -2,-1.2 4,-2.2 1,-0.2 -94,-0.3 0.777 79.7 57.2 -68.3 -26.6 30.2 -6.6 -39.6 193 221 A N H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 109.0 45.9 -68.3 -40.0 30.4 -6.9 -43.4 194 222 A G H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 111.1 53.3 -65.4 -41.2 30.9 -10.7 -43.0 195 223 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 107.0 52.1 -59.2 -42.9 28.0 -10.7 -40.6 196 224 A L H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.908 108.7 50.0 -60.5 -42.3 25.8 -8.9 -43.2 197 225 A E H X S+ 0 0 93 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.899 108.5 52.9 -64.4 -39.8 26.7 -11.6 -45.8 198 226 A N H < S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 112.1 45.5 -58.1 -40.7 25.8 -14.3 -43.3 199 227 A Y H >< S+ 0 0 26 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.888 111.1 51.9 -72.4 -39.1 22.4 -12.6 -42.8 200 228 A K H 3< S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 95.6 71.5 -67.4 -25.0 21.9 -12.1 -46.5 201 229 A N T 3< 0 0 131 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.534 360.0 360.0 -75.6 -5.4 22.6 -15.8 -47.2 202 230 A L < 0 0 83 -3,-1.2 -64,-0.0 -4,-0.2 -65,-0.0 -0.466 360.0 360.0 -59.9 360.0 19.3 -16.8 -45.6