==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-MAY-11 3RTT . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,C.LUCHINAT,M.MORI,C.NATIVI . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.8 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.9 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 0 1 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 1 106 A G 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.3 -8.0 13.3 -2.3 2 107 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.066 360.0 167.5 -76.3 155.3 -7.0 13.9 -5.9 3 108 A V - 0 0 18 78,-0.1 2,-0.2 117,-0.0 117,-0.1 -0.943 45.1 -98.7-147.0 152.3 -8.8 13.7 -9.2 4 109 A W - 0 0 20 115,-0.4 5,-0.0 -2,-0.3 115,-0.0 -0.522 25.6-151.4 -71.5 144.1 -7.8 14.9 -12.6 5 110 A R S S+ 0 0 224 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.004 71.9 63.5-110.0 30.5 -9.4 18.2 -13.3 6 111 A K S S- 0 0 94 1,-0.1 -2,-0.1 0, 0.0 36,-0.0 -0.913 71.8-135.1-147.7 161.7 -9.4 17.7 -17.1 7 112 A H S S+ 0 0 114 -2,-0.3 36,-2.2 1,-0.1 2,-0.7 0.833 85.7 70.0 -98.6 -33.6 -11.0 15.4 -19.6 8 113 A Y E +a 43 0A 183 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.764 62.6 178.2 -90.0 117.1 -8.1 14.5 -21.9 9 114 A I E -a 44 0A 2 34,-2.9 36,-2.0 -2,-0.7 2,-0.3 -0.896 11.1-155.5-117.3 145.3 -5.5 12.3 -20.2 10 115 A T E -a 45 0A 40 -2,-0.3 44,-2.4 34,-0.2 43,-1.5 -0.924 4.6-163.6-121.1 145.5 -2.3 10.9 -21.8 11 116 A Y E -ab 46 54A 4 34,-2.8 36,-2.6 -2,-0.3 2,-0.4 -0.925 1.5-163.9-124.9 155.4 -0.2 7.9 -20.9 12 117 A R E - b 0 55A 74 42,-2.0 44,-2.5 -2,-0.3 2,-0.9 -0.999 19.0-134.0-131.4 136.2 3.3 6.8 -21.8 13 118 A I E - b 0 56A 15 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.830 13.6-163.4 -89.5 108.0 4.9 3.4 -21.5 14 119 A N - 0 0 83 42,-2.9 2,-0.3 -2,-0.9 43,-0.2 0.914 67.2 -29.6 -49.3 -52.4 8.4 3.9 -20.0 15 120 A N - 0 0 55 41,-0.5 2,-0.5 0, 0.0 -1,-0.2 -0.952 67.0-102.5-161.7 174.5 9.6 0.4 -21.0 16 121 A Y - 0 0 60 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.909 25.7-118.6-117.3 130.2 8.3 -3.1 -21.6 17 122 A T > - 0 0 0 -2,-0.5 3,-1.1 1,-0.1 8,-0.1 -0.410 19.6-138.2 -48.6 130.9 8.4 -6.2 -19.5 18 123 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.602 93.9 83.8 -68.7 -8.1 10.4 -8.9 -21.4 19 124 A D T 3 S+ 0 0 37 77,-0.1 2,-0.3 75,-0.1 -2,-0.0 0.647 94.6 38.6 -64.7 -23.6 7.7 -11.3 -20.1 20 125 A M S < S- 0 0 14 -3,-1.1 2,-0.1 79,-0.1 79,-0.1 -0.861 89.8 -92.1-130.9 162.1 5.4 -10.4 -23.0 21 126 A N > - 0 0 102 -2,-0.3 4,-1.5 1,-0.1 3,-0.1 -0.488 43.3-121.6 -63.9 141.4 5.1 -9.6 -26.7 22 127 A R H >> S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.935 111.7 50.5 -47.4 -57.4 5.3 -5.7 -27.2 23 128 A E H 3> S+ 0 0 144 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.832 106.9 57.2 -52.4 -38.2 1.9 -5.4 -28.9 24 129 A D H 3> S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.808 105.9 49.0 -69.6 -35.0 0.4 -7.4 -26.1 25 130 A V H X S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.2 4,-0.6 0.896 114.0 54.8 -78.5 -41.4 -12.5 3.4 -16.9 37 142 A S H >< S+ 0 0 31 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.837 99.2 67.2 -61.3 -28.0 -13.3 5.7 -19.9 38 143 A N T 3< S+ 0 0 124 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.724 113.5 29.5 -58.9 -26.8 -16.3 3.4 -20.5 39 144 A V T <4 S+ 0 0 34 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.388 120.2 51.9-123.8 7.7 -17.8 4.7 -17.3 40 145 A T S << S- 0 0 19 -3,-0.7 114,-0.1 -4,-0.6 118,-0.0 -0.766 84.1-109.5-129.2 173.8 -16.3 8.3 -17.1 41 146 A P S S+ 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.625 80.5 118.7 -79.7 -0.5 -16.1 11.4 -19.2 42 147 A L - 0 0 2 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.150 49.2-157.5 -69.9 151.7 -12.3 10.8 -19.6 43 148 A K E -a 8 0A 128 -36,-2.2 -34,-2.9 2,-0.0 2,-0.5 -0.996 10.0-154.9-123.4 133.8 -10.4 10.1 -22.9 44 149 A F E -a 9 0A 27 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.942 11.7-177.8-118.4 121.5 -7.0 8.3 -22.7 45 150 A S E -a 10 0A 65 -36,-2.0 -34,-2.8 -2,-0.5 2,-0.5 -0.965 22.8-134.2-124.2 137.5 -4.2 8.7 -25.4 46 151 A K E -a 11 0A 68 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.772 24.2-174.8 -84.6 120.6 -0.8 7.0 -25.6 47 152 A I - 0 0 49 -36,-2.6 -34,-0.4 -2,-0.5 5,-0.1 -0.875 17.0-150.0-112.4 154.4 1.9 9.4 -26.5 48 153 A N S S+ 0 0 106 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.1 0.321 71.6 34.6-111.3 2.5 5.4 8.0 -27.1 49 154 A T S S+ 0 0 114 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.994 94.4 14.7-153.1 160.8 7.6 10.9 -25.9 50 155 A G S S- 0 0 43 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 -0.226 100.4 -16.8 77.6-165.5 7.7 13.7 -23.3 51 156 A M - 0 0 168 4,-0.0 2,-0.1 -2,-0.0 3,-0.1 -0.659 59.6-176.6 -84.0 106.0 5.6 14.1 -20.1 52 157 A A - 0 0 13 -2,-0.8 3,-0.2 1,-0.1 -41,-0.2 -0.432 33.0-125.5 -82.4 170.8 2.4 12.1 -19.9 53 158 A D S S+ 0 0 26 -43,-1.5 2,-0.6 1,-0.3 -42,-0.2 0.892 103.0 38.7 -78.6 -52.7 0.0 12.4 -17.1 54 159 A I E S-b 11 0A 0 -44,-2.4 -42,-2.0 35,-0.1 2,-0.5 -0.913 75.0-164.9-104.6 112.7 0.2 8.6 -16.4 55 160 A L E -b 12 0A 44 -2,-0.6 35,-3.1 -44,-0.2 2,-0.5 -0.868 8.7-151.3 -97.9 128.6 3.7 7.0 -16.7 56 161 A V E -bc 13 90A 2 -44,-2.5 -42,-2.9 -2,-0.5 -41,-0.5 -0.899 20.6-175.7-103.1 124.6 3.6 3.2 -16.9 57 162 A V E - c 0 91A 18 33,-2.4 35,-2.8 -2,-0.5 2,-0.5 -0.953 24.4-153.6-132.1 130.9 6.8 1.6 -15.5 58 163 A F E + c 0 92A 9 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.959 39.2 144.7-100.8 130.0 8.2 -1.9 -15.3 59 164 A A E - c 0 93A 17 33,-2.5 35,-2.2 -2,-0.5 36,-0.4 -0.994 34.3-144.9-161.2 154.2 10.7 -2.2 -12.4 60 165 A R - 0 0 140 -2,-0.3 2,-0.1 33,-0.2 10,-0.0 -0.934 62.1 -18.0-125.4 151.6 12.0 -4.5 -9.6 61 166 A G S S+ 0 0 25 -2,-0.3 8,-3.7 7,-0.1 2,-0.6 -0.320 124.7 9.1 65.3-136.6 13.2 -3.9 -6.0 62 167 A A + 0 0 95 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.751 67.7 166.3 -77.3 114.7 14.2 -0.3 -5.2 63 168 A H - 0 0 40 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.200 58.8 -91.9-126.1 11.7 13.0 1.7 -8.2 64 169 A G S S+ 0 0 75 1,-0.5 2,-0.3 2,-0.0 -2,-0.1 0.631 98.1 83.6 98.0 7.0 13.3 5.1 -6.7 65 170 A D S S- 0 0 40 21,-0.0 -1,-0.5 0, 0.0 -2,-0.2 -0.440 95.9 -94.3 -94.0-160.3 10.1 6.2 -5.2 66 171 A D S S+ 0 0 159 -2,-0.3 2,-1.0 1,-0.1 -4,-0.0 0.371 103.6 88.2 -92.9 0.8 9.5 5.0 -1.7 67 172 A H - 0 0 98 11,-0.0 -1,-0.1 -4,-0.0 -6,-0.0 -0.366 65.5-166.2-109.2 70.7 7.5 2.0 -2.6 68 173 A A - 0 0 65 -2,-1.0 -6,-0.3 1,-0.1 2,-0.2 -0.077 19.8-121.1 -53.8 133.6 10.2 -0.7 -3.0 69 174 A F - 0 0 12 -8,-3.7 3,-0.1 1,-0.1 -1,-0.1 -0.539 12.3-143.6 -79.7 157.9 9.1 -3.9 -4.7 70 175 A D - 0 0 86 5,-0.4 2,-0.1 1,-0.4 -1,-0.1 0.085 40.1-103.0-112.3 15.8 9.5 -7.2 -2.8 71 176 A G S S- 0 0 18 4,-0.1 -1,-0.4 3,-0.0 24,-0.1 -0.457 78.5 -8.0 86.3-164.8 10.4 -9.8 -5.5 72 177 A K S S+ 0 0 154 -2,-0.1 24,-0.2 -3,-0.1 3,-0.1 -0.430 122.2 5.5 -69.9 136.9 8.1 -12.4 -7.0 73 178 A G S S+ 0 0 30 1,-0.2 -3,-0.2 -2,-0.1 2,-0.1 -0.327 99.3 70.4 78.7-164.6 4.6 -12.5 -5.2 74 179 A G S S+ 0 0 63 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.2 -0.435 104.3 22.1 58.0-138.1 3.6 -10.0 -2.5 75 180 A I - 0 0 92 1,-0.2 -5,-0.4 -3,-0.1 -4,-0.1 -0.518 65.9-175.6 -65.9 115.6 3.0 -6.5 -4.0 76 181 A L - 0 0 33 -2,-0.4 17,-2.3 1,-0.3 2,-0.3 0.808 61.9 -24.6 -82.1 -36.2 2.3 -7.0 -7.6 77 182 A A E -D 92 0A 11 15,-0.2 -1,-0.3 33,-0.0 2,-0.3 -0.958 55.3-157.5-172.7 160.0 2.2 -3.3 -8.6 78 183 A H E -D 91 0A 22 13,-2.5 13,-3.1 -2,-0.3 2,-0.3 -0.987 5.8-169.6-154.9 161.1 1.5 0.2 -7.2 79 184 A A E -D 90 0A 20 -2,-0.3 2,-0.3 11,-0.2 11,-0.3 -0.933 21.4-117.2-150.5 160.6 0.4 3.6 -8.5 80 185 A F - 0 0 32 9,-2.3 8,-0.5 6,-0.3 40,-0.1 -0.814 31.9-114.5-106.8 145.8 0.1 7.2 -7.3 81 186 A G - 0 0 29 -2,-0.3 7,-0.6 6,-0.2 8,-0.2 -0.246 57.5 -59.2 -71.8 171.0 -3.2 9.1 -7.2 82 187 A P S S+ 0 0 9 0, 0.0 2,-0.2 0, 0.0 6,-0.2 0.045 86.0 94.7 -53.1 165.6 -3.8 12.1 -9.4 83 188 A G S S- 0 0 38 4,-0.3 -3,-0.1 -3,-0.1 -79,-0.0 -0.793 71.5 -50.5 138.8 177.4 -1.4 15.1 -9.2 84 189 A S S > S- 0 0 115 -2,-0.2 3,-3.0 2,-0.1 2,-0.0 -0.143 99.7 -0.8 -79.3 171.4 1.7 16.5 -10.8 85 190 A G T 3 S+ 0 0 56 1,-0.3 -2,-0.1 3,-0.1 4,-0.1 -0.219 141.3 6.7 60.2-115.4 5.1 14.8 -11.5 86 191 A I T > S+ 0 0 95 2,-0.1 3,-2.3 -32,-0.1 -6,-0.3 0.586 100.8 117.3 -75.5 -13.4 4.8 11.2 -10.2 87 192 A G T < S+ 0 0 8 -3,-3.0 -4,-0.3 1,-0.3 -6,-0.2 -0.346 81.6 19.3 -56.0 131.4 1.1 11.6 -9.4 88 193 A G T 3 S+ 0 0 0 -7,-0.6 -1,-0.3 -8,-0.5 30,-0.1 0.132 90.4 136.6 97.3 -20.3 -0.8 9.1 -11.7 89 194 A D < - 0 0 13 -3,-2.3 -9,-2.3 -8,-0.2 2,-0.4 -0.256 39.0-155.5 -74.7 148.7 2.2 6.9 -12.4 90 195 A A E -cD 56 79A 2 -35,-3.1 -33,-2.4 -11,-0.3 2,-0.4 -0.998 7.2-165.1-133.6 129.5 1.6 3.2 -12.3 91 196 A H E -cD 57 78A 18 -13,-3.1 -13,-2.5 -2,-0.4 2,-0.4 -0.944 3.4-157.4-127.8 130.4 4.5 0.8 -11.6 92 197 A F E -cD 58 77A 2 -35,-2.8 -33,-2.5 -2,-0.4 2,-0.6 -0.962 25.8-115.0-117.2 130.6 4.5 -3.0 -12.2 93 198 A D E > -c 59 0A 0 -17,-2.3 3,-1.9 -2,-0.4 -33,-0.2 -0.497 16.7-159.2 -66.7 108.4 6.9 -5.4 -10.4 94 199 A E T 3 S+ 0 0 11 -35,-2.2 -34,-0.2 -2,-0.6 -1,-0.2 0.684 88.6 73.5 -61.9 -21.7 9.2 -6.9 -13.1 95 200 A D T 3 S+ 0 0 52 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.580 85.8 79.2 -67.5 -12.1 9.7 -9.8 -10.6 96 201 A E S < S- 0 0 6 -3,-1.9 2,-0.8 -20,-0.2 -77,-0.1 -0.588 91.7-119.5 -81.5 158.3 6.2 -10.9 -11.4 97 202 A F - 0 0 104 -2,-0.2 8,-3.5 -78,-0.0 2,-0.2 -0.932 32.6-149.7 -97.3 104.9 5.7 -12.9 -14.7 98 203 A W E +e 105 0B 0 -2,-0.8 2,-0.3 6,-0.2 8,-0.2 -0.543 22.1 176.9 -71.6 132.5 3.3 -10.7 -16.6 99 204 A T E -e 106 0B 5 6,-2.5 8,-2.5 -2,-0.2 9,-0.5 -0.959 46.1-132.7-136.8 162.5 0.8 -12.4 -19.0 100 205 A T S S+ 0 0 58 -2,-0.3 2,-0.2 6,-0.2 6,-0.1 0.267 94.2 34.2 -76.9 2.5 -2.1 -12.0 -21.5 101 206 A H S S- 0 0 99 2,-0.3 -2,-0.2 4,-0.1 7,-0.1 -0.564 107.7 -61.5-142.1-160.5 -3.8 -14.9 -19.7 102 207 A S S S+ 0 0 83 -2,-0.2 4,-0.2 3,-0.1 35,-0.1 0.743 99.3 93.6 -69.9 -21.3 -4.6 -16.9 -16.5 103 208 A G S S- 0 0 24 2,-0.1 -2,-0.3 -5,-0.0 -4,-0.2 -0.191 94.3 -17.8 -72.1 159.1 -0.9 -17.8 -16.1 104 209 A G S S- 0 0 46 1,-0.1 2,-0.6 -6,-0.1 -6,-0.2 -0.132 124.0 -24.9 44.9-131.7 1.6 -15.8 -13.9 105 210 A T E -e 98 0B 13 -8,-3.5 -6,-2.5 -29,-0.0 2,-0.4 -0.948 66.2-128.2-116.5 114.0 0.0 -12.4 -13.3 106 211 A N E > -e 99 0B 0 -2,-0.6 4,-2.1 -8,-0.2 -6,-0.2 -0.414 16.6-158.9 -56.3 114.1 -2.5 -11.1 -15.8 107 212 A L H > S+ 0 0 0 -8,-2.5 4,-2.9 -2,-0.4 -1,-0.2 0.842 86.1 55.7 -69.9 -36.9 -1.3 -7.6 -16.8 108 213 A F H > S+ 0 0 12 -9,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.952 110.2 44.5 -56.7 -58.5 -4.7 -6.3 -18.0 109 214 A L H > S+ 0 0 10 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.897 116.2 48.0 -56.1 -45.7 -6.5 -7.1 -14.7 110 215 A T H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.916 110.3 51.3 -61.6 -46.4 -3.6 -5.6 -12.7 111 216 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.828 105.4 56.1 -61.8 -33.3 -3.5 -2.4 -14.9 112 217 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.924 109.3 46.9 -61.6 -46.1 -7.2 -1.9 -14.4 113 218 A H H X S+ 0 0 24 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.905 115.2 45.5 -63.5 -43.5 -6.6 -1.9 -10.6 114 219 A E H X S+ 0 0 6 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.863 108.8 53.9 -64.9 -49.4 -3.7 0.5 -10.8 115 220 A I H X S+ 0 0 4 -4,-2.6 4,-1.5 2,-0.2 6,-0.2 0.849 103.5 58.8 -52.8 -34.0 -5.4 2.9 -13.2 116 221 A G H X>S+ 0 0 0 -4,-1.5 5,-2.8 -5,-0.2 4,-0.5 0.950 110.2 42.4 -60.3 -42.8 -8.2 3.0 -10.6 117 222 A H H ><5S+ 0 0 30 -4,-1.2 3,-1.6 1,-0.2 -2,-0.2 0.937 111.0 54.7 -65.6 -46.9 -5.5 4.2 -8.2 118 223 A S H 3<5S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.713 109.9 51.0 -55.0 -22.6 -4.0 6.6 -11.0 119 224 A L H 3<5S- 0 0 0 -4,-1.5 -115,-0.4 -3,-0.3 -1,-0.3 0.603 129.6 -90.9 -96.3 -10.3 -7.6 8.0 -11.2 120 225 A G T <<5S+ 0 0 21 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.2 0.337 80.2 133.5 109.2 -1.6 -8.1 8.7 -7.5 121 226 A L < - 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