==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JAN-10 3LIR . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,B.CZARNY,L.VERA,F.BEAU . 160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 0 0.0 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 . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 105 A M 0 0 178 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 129.0 0.7 18.7 -15.4 2 106 A G - 0 0 45 119,-0.3 120,-0.0 1,-0.2 121,-0.0 -0.018 360.0 -48.4 -78.6-169.3 4.2 18.8 -14.0 3 107 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.309 58.4-175.1 -65.3 144.4 6.7 15.9 -13.7 4 108 A V - 0 0 40 -3,-0.1 2,-0.2 78,-0.1 117,-0.1 -0.968 34.0 -98.7-135.0 153.7 5.4 12.6 -12.1 5 109 A W - 0 0 24 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.537 27.7-145.3 -66.5 136.2 7.0 9.3 -11.2 6 110 A R S S+ 0 0 235 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.002 77.7 55.2 -95.8 27.0 6.4 6.8 -13.9 7 111 A K S S- 0 0 93 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.958 70.9-138.7-151.6 162.1 6.1 3.9 -11.5 8 112 A H S S+ 0 0 86 -2,-0.3 36,-2.6 35,-0.1 2,-0.6 0.404 85.8 77.2-107.4 -2.9 4.1 3.1 -8.4 9 113 A Y E +a 44 0A 130 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.955 63.2 176.8-110.0 114.4 6.9 1.5 -6.4 10 114 A I E -a 45 0A 0 34,-3.0 36,-1.7 -2,-0.6 2,-0.3 -0.962 14.5-152.7-125.3 130.2 9.1 4.3 -5.0 11 115 A T E -a 46 0A 13 -2,-0.4 44,-2.7 34,-0.2 43,-0.8 -0.734 9.7-170.2-100.9 151.4 12.1 3.9 -2.6 12 116 A Y E -ab 47 55A 11 34,-2.1 36,-2.3 -2,-0.3 2,-0.4 -0.954 4.6-162.8-134.7 159.9 13.5 6.4 -0.1 13 117 A R E - b 0 56A 68 42,-2.1 44,-3.0 -2,-0.3 2,-0.9 -0.999 20.8-132.7-142.9 137.9 16.6 6.5 2.0 14 118 A I E - b 0 57A 13 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.836 20.5-168.7 -93.3 108.3 17.4 8.6 5.0 15 119 A N - 0 0 77 42,-2.7 2,-0.3 -2,-0.9 43,-0.2 0.835 64.7 -14.1 -67.8 -36.8 20.9 10.0 4.2 16 120 A N - 0 0 52 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.970 67.0-114.1-162.1 165.9 21.6 11.3 7.7 17 121 A Y - 0 0 44 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.906 21.1-124.7-116.9 133.2 19.9 12.1 11.0 18 122 A T > - 0 0 3 -2,-0.4 3,-0.8 1,-0.1 8,-0.1 -0.521 16.6-139.1 -66.3 139.7 19.3 15.4 12.8 19 123 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.574 92.5 83.2 -74.0 -9.5 20.7 15.3 16.3 20 124 A D T 3 S+ 0 0 42 77,-0.1 2,-0.3 75,-0.1 78,-0.0 0.770 97.9 32.8 -62.0 -28.9 17.6 17.2 17.5 21 125 A M S < S- 0 0 20 -3,-0.8 2,-0.2 79,-0.1 79,-0.1 -0.841 92.1 -93.2-127.5 160.0 15.6 14.0 17.7 22 126 A N >> - 0 0 109 -2,-0.3 4,-1.6 1,-0.1 3,-0.8 -0.524 40.4-119.7 -65.5 143.4 16.1 10.3 18.5 23 127 A R H 3> S+ 0 0 136 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.874 112.2 55.5 -53.4 -44.9 16.8 8.2 15.4 24 128 A E H 3> S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.840 106.7 51.7 -59.2 -33.1 13.7 6.0 15.9 25 129 A D H <> S+ 0 0 59 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.852 108.6 49.7 -74.6 -34.9 11.5 9.1 15.9 26 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.939 111.7 49.1 -64.7 -49.0 13.0 10.4 12.7 27 131 A D H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 114.5 46.2 -53.9 -45.2 12.4 7.1 11.0 28 132 A Y H X S+ 0 0 122 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.927 110.5 50.9 -67.7 -48.1 8.8 7.1 12.4 29 133 A A H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.939 114.9 44.3 -53.2 -48.4 8.0 10.7 11.3 30 134 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.911 112.9 49.9 -66.9 -43.8 9.3 10.0 7.8 31 135 A R H X S+ 0 0 117 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.921 112.6 47.6 -60.5 -45.1 7.5 6.6 7.4 32 136 A K H X S+ 0 0 58 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.856 108.2 55.5 -65.6 -36.8 4.2 8.2 8.6 33 137 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.893 109.5 46.0 -62.8 -42.1 4.6 11.1 6.2 34 138 A F H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.860 108.2 58.2 -65.1 -36.9 4.9 8.8 3.2 35 139 A Q H X S+ 0 0 66 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.835 96.0 63.0 -63.2 -35.0 1.9 6.8 4.5 36 140 A V H < S+ 0 0 22 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.921 111.2 37.8 -55.2 -44.7 -0.2 9.9 4.4 37 141 A W H >< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.3 4,-0.3 0.864 112.9 54.9 -79.1 -35.9 0.3 10.0 0.6 38 142 A S H >< S+ 0 0 33 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.818 97.3 67.4 -66.1 -26.6 0.1 6.3 -0.0 39 143 A N T 3< S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.673 110.3 33.8 -66.9 -17.2 -3.3 6.1 1.7 40 144 A V T < S+ 0 0 35 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.245 120.0 46.7-124.2 14.1 -4.9 8.1 -1.1 41 145 A T S < S- 0 0 23 -3,-1.0 118,-0.1 -4,-0.3 114,-0.1 -0.869 84.7-107.9-140.5 173.7 -2.9 6.9 -4.1 42 146 A P S S+ 0 0 51 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.424 80.6 120.9 -82.3 3.6 -1.6 3.7 -5.7 43 147 A L - 0 0 3 -6,-0.2 2,-0.4 115,-0.1 -2,-0.2 -0.420 44.8-165.8 -73.8 141.3 1.9 4.6 -4.6 44 148 A K E -a 9 0A 148 -36,-2.6 -34,-3.0 -2,-0.1 2,-0.4 -0.976 3.7-157.9-124.3 141.5 4.0 2.4 -2.3 45 149 A F E -a 10 0A 32 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.973 7.0-173.2-124.0 129.6 7.1 3.5 -0.5 46 150 A S E -a 11 0A 49 -36,-1.7 -34,-2.1 -2,-0.4 2,-0.4 -0.986 19.9-133.6-123.2 133.4 9.9 1.3 0.8 47 151 A K E +a 12 0A 75 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.688 27.2 178.9 -82.1 133.0 12.9 2.4 2.9 48 152 A I - 0 0 43 -36,-2.3 -34,-0.4 -2,-0.4 3,-0.1 -0.937 25.3-160.6-129.9 155.2 16.3 1.1 1.9 49 153 A N S S+ 0 0 114 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.559 79.3 39.8-107.4 -13.7 19.7 1.8 3.4 50 154 A T S S+ 0 0 116 2,-0.1 2,-0.1 -37,-0.0 -1,-0.0 -0.817 95.8 20.6-131.7 160.9 21.7 0.8 0.4 51 155 A G S S- 0 0 56 -2,-0.3 2,-0.9 1,-0.1 -3,-0.0 -0.387 102.4 -17.2 86.5-152.2 21.5 1.1 -3.4 52 156 A M - 0 0 184 -2,-0.1 2,-0.2 -40,-0.0 -41,-0.2 -0.778 59.6-171.5-104.6 94.7 19.5 3.6 -5.5 53 157 A A - 0 0 28 -2,-0.9 3,-0.2 1,-0.2 -41,-0.2 -0.590 18.4-149.6 -81.4 143.3 16.8 5.4 -3.6 54 158 A D S S+ 0 0 27 -43,-0.8 2,-0.7 -2,-0.2 -42,-0.2 0.931 89.3 38.8 -71.9 -50.6 14.4 7.5 -5.5 55 159 A I E S-b 12 0A 0 -44,-2.7 -42,-2.1 35,-0.1 2,-0.5 -0.872 73.3-163.9-110.6 108.0 13.8 10.0 -2.7 56 160 A L E -b 13 0A 32 -2,-0.7 35,-2.6 -44,-0.2 2,-0.5 -0.768 8.5-151.1 -89.2 130.0 16.8 10.9 -0.5 57 161 A V E +bc 14 91A 2 -44,-3.0 -42,-2.7 -2,-0.5 -41,-0.7 -0.905 24.1 179.2-101.6 122.8 15.9 12.5 2.8 58 162 A V E - c 0 92A 18 33,-2.5 35,-3.0 -2,-0.5 2,-0.5 -0.965 26.8-157.5-131.3 139.2 18.7 14.9 3.9 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.983 37.1 142.9-110.9 127.8 19.4 17.2 6.8 60 164 A A E - c 0 94A 21 33,-2.2 35,-2.5 -2,-0.5 36,-0.4 -0.950 35.6-129.2-154.4 167.1 21.9 19.9 6.0 61 165 A R - 0 0 142 -2,-0.3 33,-0.0 33,-0.2 -2,-0.0 -0.887 57.9 -22.8-126.6 159.5 22.7 23.6 6.7 62 166 A G S S+ 0 0 24 -2,-0.3 8,-2.6 7,-0.1 2,-0.7 -0.106 123.1 5.1 49.7-135.6 23.5 26.7 4.7 63 167 A A S S+ 0 0 90 6,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.739 73.7 171.0 -83.4 116.8 24.9 26.1 1.2 64 168 A H - 0 0 40 -2,-0.7 -1,-0.1 2,-0.3 3,-0.1 -0.085 59.2 -75.0-130.1 31.5 24.7 22.4 0.9 65 169 A G S S+ 0 0 84 1,-0.4 2,-0.3 0, 0.0 -2,-0.1 0.391 105.0 82.2 101.9 -4.1 25.6 21.5 -2.7 66 170 A D S S- 0 0 19 2,-0.1 -1,-0.4 21,-0.0 -2,-0.3 -0.765 92.5-101.2-122.6 173.5 22.5 22.4 -4.7 67 171 A D S S+ 0 0 163 -2,-0.3 2,-0.4 1,-0.2 -4,-0.0 0.248 102.9 80.8 -89.0 25.6 21.8 25.8 -5.9 68 172 A H - 0 0 100 -6,-0.1 -1,-0.2 11,-0.0 -4,-0.1 -0.706 67.5-165.2-129.1 77.1 19.2 26.5 -3.1 69 173 A A - 0 0 50 -2,-0.4 -6,-0.3 -6,-0.1 2,-0.1 -0.216 16.7-122.3 -64.3 150.4 21.0 27.4 0.1 70 174 A F - 0 0 13 -8,-2.6 -1,-0.1 23,-0.1 3,-0.1 -0.377 13.3-138.7 -85.3 174.9 19.4 27.4 3.5 71 175 A D - 0 0 79 1,-0.5 2,-0.1 5,-0.4 -1,-0.0 0.081 37.9-101.8-131.8 23.0 19.2 30.5 5.6 72 176 A G S S- 0 0 20 4,-0.1 -1,-0.5 3,-0.0 24,-0.1 -0.302 80.2 -8.5 78.6-171.4 19.9 29.7 9.3 73 177 A K S S+ 0 0 161 23,-0.1 24,-0.1 -3,-0.1 2,-0.1 -0.324 119.8 9.0 -62.8 134.3 17.1 29.4 11.9 74 178 A G S S+ 0 0 30 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.360 99.0 60.5 90.3-174.0 13.7 30.5 10.7 75 179 A G S S+ 0 0 68 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.327 104.1 32.8 58.2-126.9 12.6 31.4 7.2 76 180 A I + 0 0 64 1,-0.2 -5,-0.4 -3,-0.1 3,-0.1 -0.440 62.2 178.3 -64.5 125.1 13.1 28.4 4.8 77 181 A L - 0 0 35 1,-0.4 17,-2.6 -2,-0.3 2,-0.3 0.764 62.3 -29.9 -95.3 -30.2 12.5 25.2 6.8 78 182 A A E -D 93 0A 2 15,-0.2 -1,-0.4 -19,-0.0 2,-0.3 -0.957 54.0-157.1-174.4 164.6 13.0 22.7 4.0 79 183 A H E -D 92 0A 17 13,-2.3 13,-3.0 -2,-0.3 2,-0.3 -0.976 6.0-159.0-156.0 165.8 12.7 22.2 0.3 80 184 A A E -D 91 0A 21 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.995 16.3-123.6-149.5 151.9 12.3 19.4 -2.2 81 185 A F - 0 0 42 9,-2.5 8,-0.2 6,-0.3 3,-0.1 -0.741 31.9-115.1 -97.3 144.0 12.8 18.6 -5.9 82 186 A G - 0 0 31 -2,-0.3 7,-1.7 1,-0.2 8,-0.2 -0.133 57.4 -55.7 -67.5 171.1 10.0 17.2 -8.1 83 187 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.141 87.1 101.7 -52.4 138.1 10.2 13.8 -9.7 84 188 A G - 0 0 36 4,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.913 69.4 -63.6 162.9 175.3 13.2 13.0 -11.8 85 189 A S S > S- 0 0 118 -2,-0.3 3,-2.1 2,-0.1 2,-0.3 -0.333 97.4 -0.8 -82.7 164.7 16.6 11.2 -11.6 86 190 A G T 3 S+ 0 0 67 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.382 142.4 8.2 63.6-117.2 19.5 12.1 -9.3 87 191 A I T > S+ 0 0 74 -2,-0.3 3,-2.1 2,-0.1 -6,-0.3 0.715 104.3 113.9 -72.4 -17.2 18.5 15.0 -7.1 88 192 A G T < S+ 0 0 9 -3,-2.1 -4,-0.2 1,-0.3 -6,-0.2 -0.219 83.3 14.2 -50.0 139.5 14.9 14.8 -8.4 89 193 A G T 3 S+ 0 0 0 -7,-1.7 -1,-0.3 1,-0.2 30,-0.1 0.217 93.6 136.7 78.9 -16.5 12.5 13.8 -5.7 90 194 A D < - 0 0 16 -3,-2.1 -9,-2.5 -8,-0.2 2,-0.5 -0.349 41.8-150.9 -71.6 146.5 15.0 14.5 -2.9 91 195 A A E -cD 57 80A 1 -35,-2.6 -33,-2.5 -11,-0.2 2,-0.4 -0.973 8.8-164.8-123.4 125.6 13.9 16.3 0.2 92 196 A H E -cD 58 79A 13 -13,-3.0 -13,-2.3 -2,-0.5 2,-0.4 -0.918 2.8-158.5-116.3 135.5 16.2 18.5 2.3 93 197 A F E -cD 59 78A 2 -35,-3.0 -33,-2.2 -2,-0.4 2,-0.6 -0.934 25.1-116.9-117.7 136.0 15.6 19.8 5.8 94 198 A D E > -c 60 0A 0 -17,-2.6 3,-2.0 -2,-0.4 -33,-0.2 -0.587 17.1-157.9 -77.9 112.6 17.4 22.8 7.3 95 199 A E T 3 S+ 0 0 19 -35,-2.5 -1,-0.2 -2,-0.6 -34,-0.2 0.704 86.8 75.3 -64.6 -18.5 19.4 21.6 10.3 96 200 A D T 3 S+ 0 0 52 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.626 84.9 80.4 -72.1 -8.0 19.4 25.1 11.6 97 201 A E S < S- 0 0 8 -3,-2.0 2,-0.8 -20,-0.2 -77,-0.1 -0.561 90.9-117.0 -82.6 161.9 15.7 24.5 12.6 98 202 A F - 0 0 101 -2,-0.2 8,-2.9 -78,-0.0 2,-0.2 -0.875 32.9-151.9-101.0 103.7 14.9 22.5 15.8 99 203 A W E +e 106 0B 1 -2,-0.8 2,-0.3 6,-0.2 8,-0.2 -0.539 22.4 170.6 -80.2 136.1 13.1 19.4 14.6 100 204 A T E -e 107 0B 4 6,-2.3 8,-2.3 -2,-0.2 9,-0.5 -0.872 47.7-127.8-139.3 173.2 10.6 17.7 16.9 101 205 A T S S+ 0 0 75 -2,-0.3 2,-0.1 6,-0.2 6,-0.1 0.283 94.9 38.0 -95.8 5.0 7.9 15.1 17.3 102 206 A H S S- 0 0 94 2,-0.3 -2,-0.2 4,-0.1 7,-0.1 -0.429 105.6 -67.5-140.0-155.1 5.6 17.8 18.8 103 207 A S S S+ 0 0 78 -2,-0.1 4,-0.1 3,-0.1 35,-0.1 0.656 98.1 91.5 -87.9 -16.9 4.4 21.4 18.7 104 208 A G S S- 0 0 29 2,-0.1 -2,-0.3 -5,-0.0 -4,-0.1 -0.413 97.3 -12.5 -72.4 156.2 7.7 22.8 19.9 105 209 A G S S- 0 0 48 -2,-0.1 2,-0.5 -6,-0.1 -6,-0.2 -0.264 123.0 -29.2 55.1-131.6 10.3 23.9 17.3 106 210 A T E -e 99 0B 13 -8,-2.9 -6,-2.3 -29,-0.0 2,-0.5 -0.981 64.0-127.0-121.9 122.3 9.4 22.6 13.9 107 211 A N E > -e 100 0B 1 -2,-0.5 4,-1.9 -8,-0.2 -6,-0.2 -0.540 14.9-156.6 -71.0 118.5 7.4 19.3 13.6 108 212 A L H > S+ 0 0 0 -8,-2.3 4,-2.8 -2,-0.5 5,-0.2 0.913 88.0 54.5 -62.0 -46.4 9.3 17.0 11.3 109 213 A F H > S+ 0 0 27 -9,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.930 110.6 44.0 -55.2 -50.1 6.3 14.8 10.3 110 214 A L H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 115.3 49.1 -63.7 -42.6 4.2 17.8 9.2 111 215 A T H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.896 110.4 51.4 -63.9 -38.0 7.1 19.3 7.3 112 216 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.854 104.7 56.2 -70.0 -34.1 7.9 16.0 5.6 113 217 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.959 111.4 44.3 -60.1 -47.6 4.3 15.6 4.5 114 218 A H H X S+ 0 0 18 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.938 116.1 45.6 -61.2 -49.6 4.6 18.9 2.7 115 219 A E H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.903 110.2 52.8 -65.6 -41.4 8.0 18.2 1.2 116 220 A I H X S+ 0 0 2 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.894 101.8 62.6 -61.0 -35.0 7.0 14.7 0.1 117 221 A G H ><>S+ 0 0 0 -4,-2.0 5,-2.5 -5,-0.3 3,-0.6 0.950 107.7 42.2 -49.7 -50.8 4.1 16.4 -1.6 118 222 A H H ><5S+ 0 0 23 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.890 108.5 59.0 -63.7 -41.2 6.7 18.2 -3.7 119 223 A S H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 107.9 47.9 -59.5 -25.6 8.8 15.1 -4.2 120 224 A L T <<5S- 0 0 0 -4,-1.7 -115,-0.3 -3,-0.6 -1,-0.3 0.493 131.4 -91.3 -93.6 -8.7 5.7 13.5 -5.8 121 225 A G T < 5S+ 0 0 19 -3,-1.3 -119,-0.3 -4,-0.5 -3,-0.2 0.429 77.0 138.0 117.9 -1.6 5.0 16.4 -8.1 122 226 A L < - 0 0 19 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.468 32.8-159.5 -78.6 149.0 2.6 18.7 -6.2 123 227 A G - 0 0 50 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.270 41.9 -56.7-104.0-161.9 2.9 22.5 -6.1 124 228 A H - 0 0 100 -2,-0.1 2,-0.3 1,-0.0 9,-0.2 -0.453 45.0-141.1 -85.1 155.5 1.4 24.9 -3.6 125 229 A S - 0 0 11 7,-1.8 -1,-0.0 2,-0.1 25,-0.0 -0.785 10.2-146.6-107.9 153.7 -2.2 25.2 -2.6 126 230 A S S S+ 0 0 114 -2,-0.3 -1,-0.1 7,-0.1 7,-0.1 0.400 72.3 105.7 -97.1 0.8 -4.2 28.4 -1.8 127 231 A D > - 0 0 54 1,-0.2 3,-2.6 2,-0.0 6,-0.2 -0.737 65.5-150.3 -80.4 114.0 -6.3 26.5 0.7 128 232 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.665 97.9 53.3 -59.1 -18.2 -5.0 27.6 4.2 129 233 A K T 3 S+ 0 0 149 3,-0.0 2,-0.3 -3,-0.0 18,-0.1 0.425 87.4 103.5 -97.8 0.4 -6.1 24.2 5.5 130 234 A A S X S- 0 0 7 -3,-2.6 3,-1.8 1,-0.1 -5,-0.1 -0.604 72.9-135.6 -82.8 142.2 -4.1 22.3 2.8 131 235 A V T 3 S+ 0 0 24 1,-0.3 -1,-0.1 -2,-0.3 6,-0.1 0.795 107.7 60.9 -65.5 -23.0 -0.8 20.6 3.8 132 236 A M T 3 S+ 0 0 5 -5,-0.1 -7,-1.8 -8,-0.1 -1,-0.3 0.334 73.1 123.0 -88.6 8.2 0.5 22.1 0.6 133 237 A F S < S- 0 0 63 -3,-1.8 -7,-0.1 -9,-0.2 -19,-0.0 -0.469 75.0-116.7 -62.5 144.2 -0.2 25.6 1.7 134 238 A P S S+ 0 0 63 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.711 88.9 67.2 -65.2 -24.9 3.2 27.4 1.5 135 239 A T S S- 0 0 97 1,-0.0 2,-0.1 -7,-0.0 -2,-0.1 -0.813 83.0-114.4-108.7 140.4 3.7 28.3 5.2 136 240 A Y + 0 0 79 -2,-0.4 2,-0.3 -22,-0.0 -5,-0.0 -0.422 34.9 172.2 -69.0 137.2 4.2 26.0 8.1 137 241 A K - 0 0 102 -2,-0.1 2,-0.2 -6,-0.1 -31,-0.0 -0.962 31.1-125.0-145.6 121.9 1.5 25.7 10.8 138 242 A Y + 0 0 77 -2,-0.3 2,-0.4 -35,-0.1 -35,-0.1 -0.512 32.8 179.9 -66.5 132.8 1.5 23.2 13.6 139 243 A V - 0 0 52 -2,-0.2 5,-0.1 0, 0.0 -29,-0.1 -0.980 45.1 -79.1-129.6 151.5 -1.6 21.2 13.8 140 244 A D > - 0 0 81 -2,-0.4 3,-0.8 1,-0.2 4,-0.3 -0.212 41.0-149.7 -48.2 122.5 -2.5 18.5 16.2 141 245 A I G > S+ 0 0 45 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.794 90.7 56.9 -73.3 -30.4 -0.6 15.5 14.9 142 246 A N G 3 S+ 0 0 151 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.647 114.6 38.4 -78.7 -13.1 -3.1 12.9 16.1 143 247 A T G < S+ 0 0 94 -3,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.306 84.5 139.0-118.0 5.5 -5.9 14.5 14.2 144 248 A F < + 0 0 42 -3,-0.5 2,-0.3 -4,-0.3 -3,-0.1 -0.218 23.2 171.7 -56.0 134.8 -4.0 15.4 11.1 145 249 A R - 0 0 210 0, 0.0 -14,-0.1 0, 0.0 2,-0.0 -0.994 36.5-112.6-142.5 139.2 -5.8 14.9 7.8 146 250 A L - 0 0 21 -2,-0.3 2,-0.1 -110,-0.1 -16,-0.1 -0.419 42.4-116.8 -57.8 146.0 -5.0 15.8 4.2 147 251 A S > - 0 0 17 1,-0.1 4,-2.1 -20,-0.1 3,-0.3 -0.442 24.0-105.4 -80.7 164.2 -7.4 18.4 3.0 148 252 A A H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.840 122.9 56.1 -58.4 -32.5 -9.8 17.7 0.0 149 253 A D H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 105.1 49.5 -67.3 -41.3 -7.5 20.0 -2.1 150 254 A D H > S+ 0 0 3 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.911 113.1 48.3 -60.9 -44.3 -4.4 17.9 -1.3 151 255 A I H X S+ 0 0 51 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.939 110.2 50.5 -64.6 -47.6 -6.2 14.8 -2.2 152 256 A R H X S+ 0 0 145 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.954 112.3 49.5 -50.1 -51.6 -7.5 16.3 -5.5 153 257 A G H X S+ 0 0 4 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.939 114.5 40.7 -57.4 -51.1 -4.0 17.4 -6.3 154 258 A I H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.868 113.7 53.8 -72.3 -34.3 -2.3 14.0 -5.7 155 259 A Q H 3< S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.743 101.9 59.5 -69.1 -22.2 -5.1 12.0 -7.3 156 260 A S H 3< S+ 0 0 64 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.771 112.7 39.9 -73.6 -22.2 -4.8 14.2 -10.5 157 261 A L H << S+ 0 0 26 -4,-0.8 2,-0.4 -3,-0.5 -2,-0.2 0.829 108.0 74.5 -93.1 -38.1 -1.2 13.0 -10.7 158 262 A Y < 0 0 9 -4,-2.2 -1,-0.3 1,-0.0 -115,-0.1 -1.000 360.0 360.0-134.6 136.2 -1.5 9.3 -9.7 159 263 A G 0 0 100 -2,-0.4 -4,-0.1 -3,-0.1 -118,-0.1 -0.889 360.0 360.0 168.6 360.0 -2.5 6.8 -11.0 160 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 161 2 A G 0 0 71 0, 0.0 -82,-0.3 0, 0.0 -85,-0.0 0.000 360.0 360.0 360.0 360.0 10.3 25.3 -0.2