==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-09 3L31 . COMPND 2 MOLECULE: PROBABLE MANGANASE-DEPENDENT INORGANIC . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR H.TUOMINEN,A.SALMINEN,E.OKSANEN,J.JAMSEN,O.HEIKKILA, . 465 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 11.6 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 . 4 0.9 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 . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 5 0 0 3 1 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 PARALLEL BRIDGES PER LADDER . 9 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 66 A V 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 -12.5 -46.8 31.9 2 67 A K - 0 0 162 1,-0.1 2,-0.3 198,-0.0 0, 0.0 -0.171 360.0 -96.7 -48.3 150.5 -14.1 -44.3 29.5 3 68 A L - 0 0 105 197,-0.0 198,-2.8 2,-0.0 199,-0.4 -0.561 34.1-157.6 -81.3 138.5 -12.4 -40.9 29.3 4 69 A K B > -A 200 0A 85 196,-0.3 3,-1.3 -2,-0.3 4,-0.4 -0.662 35.5 -99.5-103.2 167.8 -13.6 -37.9 31.3 5 70 A V G > S+ 0 0 2 194,-2.1 3,-1.8 191,-0.4 193,-0.2 0.872 121.7 57.4 -56.7 -39.0 -13.0 -34.1 30.6 6 71 A E G 3 S+ 0 0 108 191,-2.6 -1,-0.3 1,-0.3 4,-0.1 0.753 96.1 65.9 -65.2 -20.1 -10.2 -33.9 33.1 7 72 A D G < S+ 0 0 87 -3,-1.3 -1,-0.3 190,-0.3 -2,-0.2 0.617 93.2 81.5 -76.4 -12.5 -8.4 -36.7 31.2 8 73 A L S < S- 0 0 46 -3,-1.8 2,-0.6 -4,-0.4 226,-0.1 -0.306 85.2-115.9 -87.9 171.7 -8.1 -34.3 28.2 9 74 A E + 0 0 177 224,-0.3 2,-0.2 -2,-0.1 -2,-0.1 -0.956 49.8 162.7-111.8 111.9 -5.5 -31.6 27.5 10 75 A M - 0 0 33 -2,-0.6 2,-0.9 -4,-0.1 219,-0.2 -0.547 47.2 -75.5-123.5-178.6 -7.3 -28.2 27.5 11 76 A D B -B 228 0B 39 217,-1.8 217,-2.2 -2,-0.2 2,-1.3 -0.757 37.9-169.2 -86.7 105.1 -6.8 -24.5 27.7 12 77 A K + 0 0 175 -2,-0.9 2,-0.3 215,-0.2 215,-0.2 -0.574 28.4 155.3 -92.4 67.3 -6.1 -23.7 31.3 13 78 A I - 0 0 39 -2,-1.3 -2,-0.0 215,-0.1 0, 0.0 -0.726 49.2-108.0-100.2 143.9 -6.4 -20.0 31.0 14 79 A A - 0 0 76 -2,-0.3 212,-0.1 1,-0.1 -1,-0.0 -0.538 39.5-117.7 -64.6 128.3 -7.3 -17.6 33.8 15 80 A P - 0 0 33 0, 0.0 24,-0.2 0, 0.0 2,-0.2 -0.305 31.2-106.1 -61.6 152.1 -10.8 -16.2 33.3 16 81 A L B -e 39 0C 10 22,-2.3 24,-2.3 1,-0.1 9,-0.0 -0.476 26.9-115.2 -74.5 154.1 -11.2 -12.4 32.8 17 82 A A > - 0 0 32 22,-0.2 3,-1.5 -2,-0.2 166,-0.3 -0.675 26.0-123.4 -83.2 144.7 -12.5 -10.1 35.5 18 83 A P T 3 S+ 0 0 23 0, 0.0 166,-2.2 0, 0.0 167,-0.3 0.677 106.2 58.7 -69.4 -15.3 -15.9 -8.5 34.5 19 84 A E T 3 S+ 0 0 123 164,-0.2 55,-0.2 163,-0.2 58,-0.0 0.548 79.6 111.0 -90.6 -3.1 -14.7 -5.0 34.9 20 85 A V S < S- 0 0 25 -3,-1.5 163,-2.9 162,-0.1 164,-0.2 -0.317 71.3-108.1 -78.1 155.3 -11.8 -5.2 32.4 21 86 A S B > -H 182 0D 0 161,-0.3 4,-2.9 1,-0.1 159,-0.2 -0.403 18.9-115.0 -82.8 156.4 -12.0 -3.2 29.2 22 87 A L H > S+ 0 0 0 159,-1.8 4,-2.8 157,-0.3 5,-0.3 0.888 120.2 54.5 -52.1 -41.9 -12.6 -4.6 25.7 23 88 A K H > S+ 0 0 48 156,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.955 109.1 43.9 -60.0 -52.2 -9.1 -3.3 25.0 24 89 A M H > S+ 0 0 56 155,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.915 115.7 51.3 -59.9 -41.6 -7.5 -5.3 27.9 25 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.926 108.7 48.5 -62.7 -46.6 -9.5 -8.3 26.9 26 91 A W H X S+ 0 0 9 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.909 109.6 53.0 -65.6 -39.1 -8.6 -8.3 23.2 27 92 A N H X S+ 0 0 49 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.950 111.8 45.6 -61.0 -41.9 -4.9 -7.9 24.1 28 93 A I H < S+ 0 0 68 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.936 118.4 43.6 -66.1 -45.0 -5.1 -11.0 26.4 29 94 A M H ><>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-1.0 0.860 111.8 50.1 -66.6 -43.5 -7.1 -13.0 23.8 30 95 A R H ><5S+ 0 0 77 -4,-3.2 3,-0.8 1,-0.2 -1,-0.2 0.888 107.1 57.1 -64.8 -34.8 -5.0 -12.0 20.8 31 96 A D T 3<5S+ 0 0 109 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.493 115.7 35.4 -80.0 -5.5 -1.9 -12.9 22.6 32 97 A K T < 5S- 0 0 113 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.304 109.7-120.0-120.5 4.6 -3.1 -16.5 23.2 33 98 A N T < 5 + 0 0 145 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.2 0.988 55.0 165.2 47.2 59.6 -5.0 -16.7 19.9 34 99 A L < - 0 0 15 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.906 34.7-164.1-104.1 135.7 -8.3 -17.2 21.7 35 100 A K S S+ 0 0 51 -2,-0.4 17,-1.9 1,-0.3 18,-0.4 0.640 81.0 3.7 -86.6 -19.5 -11.6 -16.9 19.9 36 101 A S E - F 0 51C 2 15,-0.2 -1,-0.3 16,-0.1 15,-0.2 -0.963 65.8-162.8-158.5 159.0 -13.5 -16.7 23.2 37 102 A I E - F 0 50C 2 13,-2.1 13,-2.6 -2,-0.3 2,-0.1 -0.992 24.1-109.3-147.5 144.7 -12.7 -16.6 26.9 38 103 A P E - F 0 49C 7 0, 0.0 -22,-2.3 0, 0.0 2,-0.4 -0.432 21.4-147.8 -69.6 150.1 -14.6 -17.1 30.2 39 104 A V E +eF 16 48C 0 9,-2.3 8,-3.1 -24,-0.2 9,-1.9 -0.972 23.0 177.3-112.7 134.1 -15.5 -14.3 32.6 40 105 A A E - F 0 46C 5 -24,-2.3 6,-0.2 -2,-0.4 2,-0.1 -0.890 24.1-113.9-132.1 168.7 -15.6 -15.1 36.3 41 106 A D > - 0 0 57 4,-2.0 3,-2.4 -2,-0.3 6,-0.1 -0.216 48.8 -81.6 -92.0-176.8 -16.3 -13.4 39.6 42 107 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.0 2,-0.1 -25,-0.0 0.701 132.8 50.3 -60.2 -21.8 -13.9 -12.8 42.5 43 108 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.217 120.1-110.8 -98.2 8.0 -14.6 -16.3 43.8 44 109 A N < + 0 0 56 -3,-2.4 181,-2.2 1,-0.2 2,-0.3 0.829 68.1 146.5 64.3 33.3 -13.8 -17.7 40.3 45 110 A H B -I 224 0E 57 179,-0.2 -4,-2.0 1,-0.1 -1,-0.2 -0.814 58.6 -91.4 -95.5 144.3 -17.5 -18.7 39.6 46 111 A L E +F 40 0C 43 177,-0.5 -6,-0.3 -2,-0.3 3,-0.1 -0.299 49.8 161.4 -64.3 123.0 -18.7 -18.5 36.0 47 112 A L E - 0 0 63 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.693 57.6 -39.5-103.9 -29.3 -20.2 -15.2 35.0 48 113 A G E -F 39 0C 0 -9,-1.9 -9,-2.3 2,-0.0 2,-0.4 -0.990 45.9 -99.1-174.5 172.2 -20.1 -15.3 31.2 49 114 A M E -FG 38 188C 21 139,-2.2 139,-3.0 -2,-0.3 2,-0.5 -0.990 25.4-158.2-120.8 140.5 -18.4 -16.0 27.9 50 115 A L E -F 37 0C 0 -13,-2.6 -13,-2.1 -2,-0.4 2,-0.3 -0.965 12.4-173.6-118.0 114.2 -16.7 -13.3 25.9 51 116 A S E >> -F 36 0C 30 -2,-0.5 4,-1.8 -15,-0.2 3,-1.0 -0.811 38.4-122.6-104.4 149.0 -16.3 -13.8 22.1 52 117 A T H 3> S+ 0 0 10 -17,-1.9 4,-2.6 -2,-0.3 5,-0.2 0.790 116.8 62.4 -52.7 -29.4 -14.4 -11.8 19.6 53 118 A S H 3> S+ 0 0 50 -18,-0.4 4,-3.0 2,-0.2 -1,-0.3 0.891 100.2 51.2 -68.0 -36.4 -17.8 -11.7 17.9 54 119 A N H <> S+ 0 0 33 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.936 110.9 47.8 -59.2 -51.1 -19.2 -9.9 20.9 55 120 A I H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.965 114.2 47.6 -52.9 -52.5 -16.4 -7.3 20.8 56 121 A T H >X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 3,-0.8 0.943 107.9 52.9 -60.0 -51.4 -16.9 -6.8 17.1 57 122 A A H 3X S+ 0 0 32 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.896 103.8 61.0 -51.0 -35.9 -20.7 -6.4 17.3 58 123 A T H 3< S+ 0 0 25 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.870 112.5 35.3 -64.2 -34.3 -20.1 -3.7 19.9 59 124 A Y H << S+ 0 0 3 -4,-1.3 3,-0.3 -3,-0.8 -2,-0.2 0.936 119.9 47.0 -78.3 -50.6 -18.1 -1.6 17.4 60 125 A M H < S+ 0 0 16 -4,-2.7 2,-0.3 1,-0.2 -2,-0.2 0.585 114.4 47.9 -70.2 -12.6 -20.1 -2.4 14.2 61 126 A D S < S+ 0 0 73 -4,-1.5 2,-0.3 -5,-0.3 -1,-0.2 -0.672 71.6 125.8-137.0 77.3 -23.5 -1.9 15.8 62 127 A I + 0 0 39 -2,-0.3 -4,-0.0 -3,-0.3 3,-0.0 -0.838 8.1 141.3-145.7 108.5 -24.0 1.3 17.8 63 128 A W + 0 0 115 -2,-0.3 2,-0.5 2,-0.0 -1,-0.1 0.563 63.1 98.5 -93.8 -21.4 -26.6 4.0 17.5 64 129 A D + 0 0 67 -3,-0.1 2,-0.3 2,-0.1 3,-0.2 -0.528 46.5 178.5 -89.9 117.3 -26.6 4.2 21.3 65 130 A S S S+ 0 0 25 -2,-0.5 34,-0.2 1,-0.2 -2,-0.0 -0.706 70.3 65.1-103.2 168.4 -24.8 6.8 23.5 66 131 A N S > S+ 0 0 64 32,-0.4 4,-3.9 -2,-0.3 5,-0.3 0.379 71.2 124.5 84.9 -0.0 -25.1 6.7 27.2 67 132 A I H > + 0 0 17 2,-0.2 4,-2.4 -3,-0.2 6,-0.2 0.881 68.4 53.2 -51.9 -41.7 -23.4 3.6 26.2 68 133 A L H 4>S+ 0 0 3 30,-0.3 5,-2.2 1,-0.2 28,-0.2 0.850 113.4 45.1 -65.3 -30.5 -20.7 4.8 28.7 69 134 A A H >45S+ 0 0 25 29,-0.3 3,-0.9 3,-0.2 -2,-0.2 0.929 112.5 46.9 -73.8 -54.7 -23.6 5.1 31.2 70 135 A K H 3<5S+ 0 0 118 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.836 118.0 43.5 -61.0 -36.2 -25.3 1.8 30.5 71 136 A S T 3<5S- 0 0 8 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.531 103.1-135.2 -82.6 -8.7 -22.0 -0.0 30.7 72 137 A A T < 5 - 0 0 55 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.920 28.9-163.7 48.3 47.0 -21.0 2.0 33.7 73 138 A T < - 0 0 0 -5,-2.2 23,-0.3 -6,-0.2 2,-0.2 -0.383 11.2-130.8 -61.0 137.0 -17.6 2.4 32.2 74 139 A S >> - 0 0 44 106,-0.3 4,-1.4 -55,-0.2 3,-0.8 -0.578 13.1-118.5 -92.4 151.5 -15.1 3.6 34.8 75 140 A L H 3> S+ 0 0 22 19,-0.2 4,-2.8 1,-0.2 5,-0.2 0.822 113.5 60.4 -53.1 -37.0 -12.7 6.5 34.5 76 141 A D H 3> S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 103.2 51.7 -64.2 -33.1 -9.7 4.0 34.9 77 142 A N H <> S+ 0 0 12 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.888 111.3 46.7 -68.5 -39.0 -10.8 2.2 31.7 78 143 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 6,-0.3 0.921 111.8 50.4 -70.3 -43.4 -11.0 5.5 29.8 79 144 A L H <>S+ 0 0 30 -4,-2.8 5,-2.6 2,-0.2 4,-0.5 0.949 113.4 45.5 -63.9 -46.6 -7.6 6.7 31.0 80 145 A D H ><5S+ 0 0 69 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.959 114.6 47.7 -57.9 -50.4 -6.0 3.4 30.1 81 146 A T H 3<5S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 119.1 38.3 -63.5 -32.5 -7.7 3.3 26.7 82 147 A L T 3<5S- 0 0 0 -4,-2.4 86,-0.4 -5,-0.1 -1,-0.3 0.321 103.4-126.5 -99.0 8.1 -6.8 6.9 25.8 83 148 A S T < 5 + 0 0 77 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.938 63.4 154.6 41.5 49.4 -3.3 6.7 27.4 84 149 A A < - 0 0 17 -5,-2.6 2,-0.4 -6,-0.3 82,-0.2 -0.556 42.6-140.4-104.3 170.4 -4.5 9.8 29.2 85 150 A E E -J 165 0F 132 80,-2.4 80,-2.3 -2,-0.2 2,-0.3 -0.992 18.7-124.2-134.6 137.8 -3.9 11.5 32.5 86 151 A A E +J 164 0F 21 -2,-0.4 78,-0.2 78,-0.2 3,-0.1 -0.587 21.3 178.8 -79.6 132.7 -6.3 13.2 34.9 87 152 A Q E S+ 0 0 27 76,-2.3 2,-0.3 1,-0.4 77,-0.2 0.616 81.1 7.2 -98.1 -26.7 -6.0 16.8 36.0 88 153 A N E -J 163 0F 19 75,-1.4 75,-2.4 68,-0.0 2,-0.4 -0.926 66.9-160.8-154.8 138.2 -9.1 16.7 38.2 89 154 A I - 0 0 61 -2,-0.3 2,-1.3 73,-0.2 73,-0.1 -0.987 20.2-139.3-122.8 126.5 -11.4 13.9 39.2 90 155 A N > - 0 0 28 -2,-0.4 3,-1.3 48,-0.2 72,-0.1 -0.767 24.1-165.9 -75.9 99.7 -14.9 14.2 40.5 91 156 A E T 3 S+ 0 0 118 -2,-1.3 -1,-0.2 1,-0.3 69,-0.0 0.556 80.6 54.2 -71.9 -8.4 -14.3 11.5 43.1 92 157 A E T 3 S+ 0 0 168 68,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.479 90.4 81.4-105.4 -5.0 -18.1 11.1 43.8 93 158 A R < + 0 0 79 -3,-1.3 -3,-0.1 1,-0.2 -1,-0.1 -0.871 42.7 165.5 -98.7 110.1 -19.2 10.5 40.2 94 159 A K + 0 0 143 -2,-0.7 2,-0.3 -20,-0.1 -19,-0.2 0.812 65.4 55.4 -88.5 -26.9 -18.7 6.9 39.2 95 160 A V - 0 0 56 -21,-0.1 -26,-0.1 -20,-0.0 -21,-0.1 -0.788 66.0-148.6-112.5 138.6 -20.9 7.2 36.0 96 161 A F - 0 0 2 -2,-0.3 -23,-0.1 -23,-0.3 -24,-0.1 -0.948 23.1-172.6-100.0 110.3 -20.7 9.6 33.0 97 162 A P + 0 0 58 0, 0.0 21,-0.2 0, 0.0 -28,-0.1 0.620 48.6 61.4 -91.4 -10.7 -24.3 9.8 32.1 98 163 A G S S- 0 0 8 19,-2.3 -32,-0.4 1,-0.1 -29,-0.3 0.211 85.4 -72.7-101.0-149.4 -24.5 11.7 28.8 99 164 A K - 0 0 66 -34,-0.2 20,-2.3 -33,-0.1 2,-0.5 -0.805 40.0-108.3-110.1 159.9 -23.3 11.4 25.2 100 165 A V E +k 119 0F 5 -2,-0.3 2,-0.4 18,-0.2 20,-0.2 -0.709 42.7 176.8 -82.0 123.8 -19.8 11.7 23.7 101 166 A V E -k 120 0F 9 18,-2.8 20,-2.4 -2,-0.5 2,-0.7 -0.997 31.1-134.8-130.8 131.5 -19.6 14.9 21.6 102 167 A V E -k 121 0F 5 -2,-0.4 2,-2.9 18,-0.2 3,-0.3 -0.780 26.5-133.6 -78.0 112.8 -16.6 16.4 19.7 103 168 A A + 0 0 7 18,-2.2 20,-0.3 -2,-0.7 -1,-0.1 -0.401 51.0 149.8 -69.1 72.1 -16.7 20.1 20.7 104 169 A A + 0 0 24 -2,-2.9 -1,-0.2 18,-0.1 252,-0.1 0.894 44.3 82.8 -72.4 -41.1 -16.3 21.2 17.0 105 170 A M S S- 0 0 29 -3,-0.3 2,-0.1 1,-0.1 5,-0.0 0.031 86.9 -98.5 -61.0 165.4 -18.3 24.4 17.3 106 171 A Q > - 0 0 48 1,-0.0 3,-1.2 232,-0.0 4,-0.4 -0.436 49.6 -88.1 -78.7 169.4 -17.1 27.9 18.6 107 172 A A G > S+ 0 0 31 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.796 118.7 54.2 -52.6 -48.2 -17.8 28.9 22.2 108 173 A E G 3 S+ 0 0 146 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.746 110.1 44.5 -64.3 -30.9 -21.2 30.6 21.8 109 174 A S G X S+ 0 0 26 -3,-1.2 3,-1.1 1,-0.2 4,-0.3 0.311 81.5 97.5-103.2 9.5 -23.0 27.7 20.1 110 175 A L G X> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.4 3,-2.0 0.866 74.6 66.0 -62.5 -37.9 -21.8 24.8 22.3 111 176 A K G 34 S+ 0 0 126 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.679 92.4 62.2 -60.3 -17.6 -25.0 24.9 24.3 112 177 A E G <4 S+ 0 0 140 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.629 120.2 22.2 -83.3 -12.2 -27.0 23.8 21.2 113 178 A F T <4 S+ 0 0 102 -3,-2.0 2,-0.5 -4,-0.3 -2,-0.2 0.587 113.7 64.9-127.3 -23.7 -25.1 20.5 21.1 114 179 A I < - 0 0 2 -4,-2.5 2,-0.2 4,-0.1 -1,-0.2 -0.937 58.3-175.0-120.7 126.5 -23.6 19.8 24.6 115 180 A S > - 0 0 67 -2,-0.5 3,-1.9 -16,-0.1 -16,-0.1 -0.698 39.8 -72.9-114.3 168.7 -25.7 19.1 27.7 116 181 A E T 3 S+ 0 0 130 1,-0.3 21,-0.3 -2,-0.2 20,-0.2 -0.320 119.7 25.4 -58.1 131.1 -25.0 18.6 31.3 117 182 A G T 3 S+ 0 0 7 19,-2.7 -19,-2.3 1,-0.3 -1,-0.3 0.343 92.9 135.6 95.5 -6.5 -23.5 15.2 32.0 118 183 A D < - 0 0 7 -3,-1.9 20,-2.1 -20,-0.2 21,-1.5 -0.297 57.3-125.2 -73.3 157.3 -22.0 14.9 28.4 119 184 A I E -kl 100 139F 0 -20,-2.3 -18,-2.8 19,-0.2 2,-0.4 -0.934 32.3-164.8-103.0 112.2 -18.5 13.8 27.6 120 185 A A E -kl 101 140F 0 19,-2.3 21,-3.0 -2,-0.6 2,-0.6 -0.835 15.2-156.1-111.4 133.9 -16.9 16.5 25.6 121 186 A I E +kl 102 141F 2 -20,-2.4 -18,-2.2 -2,-0.4 2,-0.3 -0.948 30.3 168.3-107.4 109.7 -13.7 16.1 23.5 122 187 A A E - l 0 142F 1 19,-2.7 21,-2.3 -2,-0.6 -18,-0.1 -0.816 26.1-125.0-122.3 163.1 -12.1 19.5 23.1 123 188 A G - 0 0 28 -20,-0.3 2,-0.6 -2,-0.3 6,-0.1 -0.048 51.3 -64.4 -92.7-159.5 -8.8 21.1 21.9 124 189 A D S S+ 0 0 97 18,-0.1 2,-0.6 4,-0.1 18,-0.0 -0.068 88.4 118.7 -86.9 31.3 -6.2 23.5 23.3 125 190 A R > - 0 0 73 -2,-0.6 4,-2.2 1,-0.1 3,-0.2 -0.883 50.7-158.5-107.5 117.7 -8.5 26.5 23.7 126 191 A A H > S+ 0 0 47 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.800 92.7 57.0 -59.2 -30.9 -9.1 27.9 27.1 127 192 A E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 108.5 45.7 -69.2 -46.8 -12.3 29.6 26.0 128 193 A I H > S+ 0 0 9 -3,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.941 112.8 49.7 -60.3 -48.1 -13.9 26.3 24.8 129 194 A Q H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.853 109.6 51.7 -59.8 -41.1 -12.8 24.4 27.9 130 195 A A H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 110.8 47.8 -65.4 -42.1 -14.3 27.1 30.3 131 196 A E H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.928 109.5 52.4 -67.0 -40.3 -17.6 27.0 28.5 132 197 A L H <>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.2 4,-0.4 0.906 111.2 49.1 -62.6 -35.6 -17.7 23.2 28.6 133 198 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.6 2,-0.2 -1,-0.2 0.939 108.3 51.6 -64.9 -48.3 -17.1 23.4 32.3 134 199 A E H 3<5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.3 54.8 -60.9 -29.9 -19.9 26.0 32.8 135 200 A L T 3<5S- 0 0 38 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.575 113.6-124.2 -81.5 -8.9 -22.2 23.6 30.9 136 201 A K T < 5 - 0 0 108 -3,-1.6 -19,-2.7 -4,-0.4 -3,-0.2 0.961 34.4-173.6 68.9 50.5 -21.3 20.9 33.5 137 202 A V < - 0 0 1 -5,-1.4 -18,-0.2 -21,-0.3 3,-0.2 -0.399 27.5-133.3 -63.1 153.2 -20.0 18.1 31.3 138 203 A S S S+ 0 0 3 -20,-2.1 24,-0.7 1,-0.3 2,-0.3 0.659 90.1 18.5 -84.7 -20.3 -19.4 15.0 33.3 139 204 A L E -lm 119 162F 0 -21,-1.5 -19,-2.3 22,-0.1 2,-0.5 -0.945 62.7-159.3-155.6 127.3 -16.0 14.7 31.6 140 205 A L E -lm 120 163F 0 22,-2.1 24,-3.0 -2,-0.3 2,-0.6 -0.963 11.3-166.9-108.4 122.3 -13.8 17.0 29.6 141 206 A I E -lm 121 164F 0 -21,-3.0 -19,-2.7 -2,-0.5 2,-0.4 -0.953 5.7-159.1-113.3 114.8 -11.3 15.2 27.4 142 207 A V E -lm 122 165F 0 22,-2.7 24,-2.4 -2,-0.6 3,-0.3 -0.839 13.1-148.6-102.5 133.5 -8.6 17.5 26.1 143 208 A T > + 0 0 13 -21,-2.3 3,-1.6 -2,-0.4 26,-0.2 -0.123 63.2 40.7 -94.3-179.0 -6.8 16.4 23.0 144 209 A G T 3 S- 0 0 34 24,-2.4 -1,-0.2 1,-0.3 25,-0.1 0.518 114.5 -79.0 64.4 8.4 -3.3 16.7 21.4 145 210 A G T 3 S+ 0 0 39 21,-2.5 2,-1.7 23,-0.4 -1,-0.3 0.515 87.4 146.3 77.5 3.3 -1.4 16.2 24.7 146 211 A H < - 0 0 79 -3,-1.6 -1,-0.2 20,-0.3 -3,-0.1 -0.504 39.1-153.0 -81.3 75.9 -2.2 19.9 25.6 147 212 A T - 0 0 89 -2,-1.7 -4,-0.0 1,-0.1 18,-0.0 -0.232 27.1-111.4 -44.4 125.8 -2.5 19.8 29.4 148 213 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.243 33.7 -93.0 -67.6 156.4 -4.9 22.7 30.3 149 214 A S > - 0 0 59 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.119 34.9-106.8 -59.8 158.8 -3.8 25.8 32.2 150 215 A K H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 117.6 60.1 -54.2 -36.5 -4.0 26.1 36.0 151 216 A E H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 107.7 43.7 -62.1 -46.9 -7.0 28.6 35.7 152 217 A I H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 113.3 51.9 -63.7 -43.1 -9.1 26.0 33.8 153 218 A I H X S+ 0 0 34 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.874 108.5 49.9 -61.0 -41.4 -8.1 23.3 36.2 154 219 A E H X S+ 0 0 136 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.824 108.4 54.2 -68.0 -32.9 -9.0 25.4 39.3 155 220 A L H X S+ 0 0 60 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.856 108.5 48.9 -66.3 -34.5 -12.4 26.1 37.6 156 221 A A H X>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 4,-1.2 0.876 110.6 51.3 -71.0 -40.5 -12.9 22.3 37.3 157 222 A K H <5S+ 0 0 105 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.945 110.2 49.1 -55.1 -53.7 -12.0 21.9 41.0 158 223 A K H <5S+ 0 0 162 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 121.4 34.1 -53.4 -43.2 -14.5 24.5 41.9 159 224 A N H <5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.475 107.6-119.9 -99.8 -3.4 -17.3 22.9 39.9 160 225 A N T <5 + 0 0 100 -4,-1.2 2,-0.5 -3,-0.5 -3,-0.2 0.874 54.0 159.4 60.7 46.8 -16.2 19.3 40.4 161 226 A I < - 0 0 11 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.843 40.6-128.7 -98.4 127.6 -15.7 18.5 36.7 162 227 A T E - m 0 139F 2 -24,-0.7 -22,-2.1 -2,-0.5 2,-0.4 -0.582 32.3-176.4 -73.7 129.1 -13.5 15.5 35.8 163 228 A V E +Jm 88 140F 1 -75,-2.4 -76,-2.3 -2,-0.3 -75,-1.4 -0.999 5.9 173.2-131.3 133.1 -10.9 16.7 33.3 164 229 A I E -Jm 86 141F 0 -24,-3.0 -22,-2.7 -2,-0.4 2,-0.4 -0.962 20.3-140.1-139.8 159.2 -8.3 14.5 31.5 165 230 A T E -Jm 85 142F 10 -80,-2.3 -80,-2.4 -2,-0.3 -22,-0.2 -0.971 14.0-173.5-120.4 131.3 -5.7 14.9 28.7 166 231 A T - 0 0 0 -24,-2.4 -21,-2.5 -2,-0.4 -20,-0.3 -0.886 28.1-135.9-114.4 149.9 -4.9 12.4 25.9 167 232 A P S S+ 0 0 75 0, 0.0 -23,-0.1 0, 0.0 -84,-0.1 0.799 79.8 96.0 -75.1 -18.4 -2.0 12.7 23.4 168 233 A H S S- 0 0 51 -86,-0.4 -24,-2.4 -25,-0.1 -23,-0.4 -0.138 77.7-116.0 -69.6 160.1 -4.4 11.6 20.7 169 234 A D > - 0 0 62 -26,-0.2 4,-2.7 -25,-0.1 5,-0.3 -0.371 38.3 -94.2 -84.6 169.3 -6.3 13.9 18.3 170 235 A S H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 124.1 50.1 -56.2 -42.1 -10.2 14.1 18.3 171 236 A F H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 115.0 42.6 -58.8 -51.0 -10.6 11.6 15.5 172 237 A T H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.929 113.7 51.0 -64.4 -44.1 -8.4 9.0 17.1 173 238 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.851 108.1 54.2 -65.3 -31.8 -9.8 9.6 20.6 174 239 A S H < S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.898 111.1 45.3 -67.9 -39.1 -13.3 9.1 19.0 175 240 A R H < S+ 0 0 18 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.784 117.1 45.3 -72.1 -30.9 -12.3 5.7 17.6 176 241 A L H >< S+ 0 0 27 -4,-2.0 3,-3.2 1,-0.2 4,-0.3 0.878 91.6 76.7 -81.1 -42.7 -10.6 4.5 20.8 177 242 A I G >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.3 4,-0.2 0.746 86.0 61.7 -52.9 -30.0 -13.1 5.5 23.5 178 243 A V G > S+ 0 0 3 -4,-0.5 3,-1.1 1,-0.3 -1,-0.3 0.716 90.5 71.2 -72.2 -12.6 -15.5 2.6 22.8 179 244 A Q G < S+ 0 0 7 -3,-3.2 -156,-2.5 1,-0.2 -155,-0.3 0.555 82.3 75.1 -73.1 -7.4 -12.6 0.2 23.7 180 245 A S G < + 0 0 0 -3,-1.7 -106,-0.3 -4,-0.3 -1,-0.2 0.679 68.2 118.6 -75.2 -24.7 -13.0 1.3 27.3 181 246 A L < - 0 0 0 -3,-1.1 -159,-1.8 -4,-0.2 -158,-0.2 -0.085 69.4-113.3 -55.6 141.3 -16.2 -0.7 27.8 182 247 A P B >> -H 21 0D 8 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.481 19.8-123.8 -74.7 147.3 -16.1 -3.4 30.5 183 248 A V H >> S+ 0 0 0 -163,-2.9 4,-2.4 -166,-0.3 3,-1.5 0.832 105.9 67.5 -57.2 -34.6 -16.4 -7.0 29.3 184 249 A D H 34 S+ 0 0 54 -166,-2.2 -1,-0.3 1,-0.3 -165,-0.1 0.781 95.9 54.4 -66.6 -20.6 -19.5 -7.6 31.5 185 250 A Y H <4 S+ 0 0 91 -3,-1.4 -1,-0.3 -167,-0.3 -2,-0.2 0.744 120.1 32.3 -75.3 -19.9 -21.6 -5.2 29.4 186 251 A V H << S+ 0 0 15 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.633 97.1 96.6-114.2 -22.2 -20.7 -7.1 26.2 187 252 A M S < S- 0 0 16 -4,-2.4 2,-0.4 -137,-0.1 -137,-0.2 -0.293 80.6-101.4 -73.6 157.8 -20.3 -10.8 27.2 188 253 A T B +G 49 0C 65 -139,-3.0 -139,-2.2 1,-0.1 -1,-0.1 -0.697 41.6 168.6 -76.4 131.5 -22.9 -13.5 27.0 189 254 A K + 0 0 113 -2,-0.4 3,-0.4 -141,-0.2 2,-0.3 0.603 51.4 74.5-113.6 -27.5 -24.5 -14.2 30.4 190 255 A D S S+ 0 0 118 1,-0.2 -2,-0.0 -142,-0.0 -142,-0.0 -0.674 96.8 7.4 -99.1 149.6 -27.5 -16.4 29.5 191 256 A N S S- 0 0 146 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.897 76.4-171.9 56.1 48.2 -27.7 -19.9 28.5 192 257 A L - 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