==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-12 4IJO . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.UDI,M.FRAGAI,M.GROSSMAN,S.MITTERNACHT,R.ARAD-YELLIN,V.CALD . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 54.4 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 . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 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 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 1 106 A G 0 0 100 0, 0.0 2,-0.0 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0-175.8 8.9 12.7 2.4 2 107 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 81,-0.0 -0.347 360.0-174.5 -69.1 145.5 7.2 14.4 5.4 3 108 A V - 0 0 46 78,-0.1 2,-0.1 -2,-0.0 117,-0.1 -0.927 35.3 -90.9-130.2 158.0 8.6 13.8 9.0 4 109 A W - 0 0 21 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.465 30.7-153.8 -61.1 135.3 7.5 14.8 12.5 5 110 A R + 0 0 232 -2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.038 69.7 62.1-107.8 30.8 9.1 18.2 13.3 6 111 A K S S- 0 0 97 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.962 72.1-134.1-148.7 163.0 9.1 17.6 17.1 7 112 A H S S+ 0 0 115 -2,-0.3 36,-2.6 1,-0.1 2,-0.6 0.724 86.8 69.2 -97.6 -24.7 10.7 15.2 19.6 8 113 A Y E +a 43 0A 180 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.881 63.4 178.2-100.5 117.9 7.9 14.3 21.8 9 114 A I E -a 44 0A 1 34,-2.9 36,-1.6 -2,-0.6 2,-0.3 -0.960 12.2-153.2-121.0 135.1 5.2 12.2 20.0 10 115 A T E -a 45 0A 36 -2,-0.4 44,-2.3 34,-0.2 43,-0.7 -0.762 7.6-168.0-104.8 150.6 2.1 10.8 21.6 11 116 A Y E -ab 46 54A 6 34,-2.4 36,-3.3 -2,-0.3 2,-0.4 -0.920 3.2-161.0-128.4 162.7 0.1 7.8 20.7 12 117 A R E - b 0 55A 71 42,-2.4 44,-2.8 -2,-0.3 2,-1.0 -0.981 19.4-135.2-144.1 130.2 -3.2 6.5 21.7 13 118 A I E - b 0 56A 14 34,-0.5 44,-0.2 -2,-0.4 3,-0.1 -0.779 20.8-170.4 -87.4 103.8 -4.8 3.0 21.5 14 119 A N - 0 0 78 42,-2.6 2,-0.3 -2,-1.0 -1,-0.2 0.873 67.6 -11.2 -66.2 -41.1 -8.3 3.9 20.2 15 120 A N - 0 0 56 41,-0.8 2,-0.4 -3,-0.1 -1,-0.2 -0.967 69.7-121.9-156.7 159.6 -9.6 0.3 20.7 16 121 A Y - 0 0 56 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.900 23.6-116.1-113.0 141.3 -8.1 -3.1 21.5 17 122 A T > - 0 0 0 -2,-0.4 3,-0.7 1,-0.1 8,-0.1 -0.407 14.9-139.9 -65.3 141.3 -8.4 -6.3 19.5 18 123 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.475 92.8 83.7 -78.8 -3.4 -10.3 -9.0 21.4 19 124 A D T 3 S+ 0 0 40 77,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.612 97.2 31.5 -66.4 -22.3 -7.6 -11.5 20.0 20 125 A M S < S- 0 0 17 -3,-0.7 2,-0.1 79,-0.1 79,-0.1 -0.916 92.7 -88.3-135.7 159.9 -5.2 -10.6 22.8 21 126 A N >> - 0 0 101 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.459 42.5-119.9 -58.7 140.4 -5.0 -9.6 26.5 22 127 A R H 3> S+ 0 0 137 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.894 114.3 51.9 -48.2 -49.0 -5.2 -5.7 26.9 23 128 A E H 3> S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.762 105.5 54.9 -66.4 -25.0 -1.8 -5.7 28.6 24 129 A D H <> S+ 0 0 39 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.836 108.6 48.6 -79.4 -29.7 -0.2 -7.7 25.8 25 130 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.2 5,-0.3 0.954 112.4 48.6 -66.7 -50.7 -1.5 -5.1 23.2 26 131 A D H X S+ 0 0 47 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 115.5 45.4 -50.4 -47.5 -0.1 -2.2 25.4 27 132 A Y H X S+ 0 0 146 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.901 111.8 49.4 -72.8 -42.7 3.2 -4.1 25.7 28 133 A A H X S+ 0 0 9 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.897 115.4 43.8 -57.9 -48.0 3.5 -5.0 22.0 29 134 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 3,-0.3 0.938 113.7 51.5 -65.9 -45.3 2.8 -1.5 20.9 30 135 A R H X S+ 0 0 156 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.936 109.5 48.7 -53.4 -55.0 5.1 -0.0 23.5 31 136 A K H X S+ 0 0 66 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.778 109.0 55.0 -57.8 -30.4 8.0 -2.3 22.6 32 137 A A H X S+ 0 0 0 -4,-1.1 4,-0.9 -3,-0.3 -1,-0.2 0.884 107.9 46.8 -74.7 -40.3 7.5 -1.4 18.9 33 138 A F H >X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.902 108.3 59.6 -60.9 -40.6 7.8 2.4 19.6 34 139 A Q H 3X S+ 0 0 84 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.831 96.1 60.6 -57.0 -40.0 10.9 1.5 21.7 35 140 A V H 3< S+ 0 0 21 -4,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.924 112.6 37.2 -52.0 -44.8 12.6 -0.1 18.7 36 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.6 6,-0.2 0.842 111.9 57.2 -83.2 -32.5 12.4 3.4 16.9 37 142 A S H >< S+ 0 0 42 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.830 98.5 64.2 -63.7 -29.7 13.1 5.5 20.0 38 143 A N T 3< S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.658 112.6 32.8 -63.7 -20.6 16.4 3.5 20.4 39 144 A V T < S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.090 119.2 44.0-128.7 18.1 17.7 4.9 17.1 40 145 A T S < S- 0 0 22 -3,-1.0 114,-0.1 2,-0.2 113,-0.0 -0.908 85.5-105.6-145.0 178.7 16.3 8.3 16.9 41 146 A P S S+ 0 0 61 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.336 78.9 122.6 -89.4 6.9 15.8 11.4 19.3 42 147 A L - 0 0 5 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.379 45.6-162.4 -71.7 144.4 12.1 10.6 19.5 43 148 A K E -a 8 0A 126 -36,-2.6 -34,-2.9 -2,-0.1 2,-0.4 -0.993 8.9-159.6-123.3 135.0 10.2 10.0 22.8 44 149 A F E -a 9 0A 27 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.922 8.4-175.7-117.5 137.2 6.8 8.3 22.6 45 150 A S E -a 10 0A 56 -36,-1.6 -34,-2.4 -2,-0.4 2,-0.4 -0.994 23.8-128.8-132.6 146.0 4.1 8.4 25.4 46 151 A K E -a 11 0A 63 -2,-0.4 2,-0.3 -36,-0.2 -34,-0.2 -0.708 27.8-168.3 -88.3 131.5 0.8 6.6 25.5 47 152 A I - 0 0 43 -36,-3.3 -34,-0.5 -2,-0.4 3,-0.1 -0.813 16.2-155.4-123.2 167.3 -2.1 9.0 26.2 48 153 A N S S+ 0 0 117 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.597 71.6 20.6-122.3 -14.2 -5.6 8.0 27.1 49 154 A T S S+ 0 0 116 2,-0.1 -1,-0.3 -37,-0.0 2,-0.1 -0.938 97.1 37.4-149.3 161.9 -7.8 10.9 26.1 50 155 A G S S- 0 0 45 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.298 100.7 -39.8 86.0-175.6 -7.5 13.8 23.8 51 156 A M - 0 0 142 -2,-0.1 2,-0.3 4,-0.0 -2,-0.1 -0.731 56.2-166.1 -89.9 132.2 -5.9 13.8 20.4 52 157 A A - 0 0 8 -2,-0.4 3,-0.2 1,-0.1 -41,-0.2 -0.703 28.3-123.2-104.2 166.0 -2.6 11.9 20.0 53 158 A D S S+ 0 0 22 -43,-0.7 2,-0.7 -2,-0.3 -42,-0.2 0.952 104.1 37.4 -64.7 -52.6 -0.2 12.1 17.1 54 159 A I E S-b 11 0A 0 -44,-2.3 -42,-2.4 35,-0.1 2,-0.5 -0.876 73.6-165.1-110.6 107.0 -0.5 8.4 16.3 55 160 A L E -b 12 0A 37 -2,-0.7 35,-2.5 -44,-0.2 2,-0.6 -0.826 9.7-151.9 -89.0 130.9 -3.9 6.8 16.8 56 161 A V E -bc 13 90A 1 -44,-2.8 -42,-2.6 -2,-0.5 -41,-0.8 -0.896 21.3-179.3-107.5 121.0 -3.6 3.0 16.8 57 162 A V E - c 0 91A 20 33,-2.5 35,-2.9 -2,-0.6 2,-0.5 -0.967 26.3-153.1-128.1 136.6 -6.9 1.4 15.5 58 163 A F E + c 0 92A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.965 39.2 150.7-104.9 126.8 -8.0 -2.1 15.1 59 164 A A E - c 0 93A 16 33,-2.4 35,-2.8 -2,-0.5 36,-0.4 -0.968 32.2-143.6-149.1 160.0 -10.7 -2.1 12.3 60 165 A R - 0 0 140 -2,-0.3 33,-0.0 33,-0.2 10,-0.0 -0.914 59.7 -17.7-129.7 162.5 -12.1 -4.4 9.6 61 166 A G S S+ 0 0 25 -2,-0.3 8,-2.6 7,-0.1 2,-0.5 -0.102 122.8 3.3 45.4-138.6 -13.3 -3.8 6.0 62 167 A A + 0 0 95 6,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.682 67.5 170.7 -82.0 122.1 -14.2 -0.3 5.2 63 168 A H - 0 0 47 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.138 59.5 -83.3-129.4 17.3 -13.3 1.8 8.2 64 169 A G S S+ 0 0 79 1,-0.5 2,-0.2 0, 0.0 -2,-0.1 0.406 101.1 92.2 103.8 1.0 -13.7 5.4 6.9 65 170 A D S S- 0 0 29 2,-0.1 -1,-0.5 21,-0.0 -2,-0.2 -0.505 93.3-101.8-108.9-173.3 -10.4 6.1 5.3 66 171 A D S S+ 0 0 155 -2,-0.2 2,-0.5 1,-0.2 -4,-0.0 0.398 103.0 82.1 -93.9 19.6 -10.1 5.5 1.6 67 172 A H - 0 0 98 -6,-0.0 -1,-0.2 11,-0.0 -2,-0.1 -0.674 66.1-162.2-128.2 82.4 -8.2 2.2 2.3 68 173 A A - 0 0 65 -2,-0.5 -6,-0.3 -3,-0.1 -7,-0.1 -0.282 17.4-123.7 -62.7 139.6 -10.5 -0.8 3.0 69 174 A F - 0 0 11 -8,-2.6 3,-0.1 1,-0.1 -1,-0.1 -0.378 14.8-139.0 -76.6 161.8 -9.2 -3.9 4.7 70 175 A D - 0 0 80 1,-0.4 -1,-0.1 5,-0.4 -10,-0.0 -0.099 38.2-102.7-120.0 33.9 -9.7 -7.2 2.9 71 176 A G S S- 0 0 23 3,-0.0 -1,-0.4 25,-0.0 24,-0.1 -0.200 81.8 -4.1 67.8-169.4 -10.7 -9.8 5.5 72 177 A K S S- 0 0 155 23,-0.1 24,-0.2 -3,-0.1 2,-0.1 -0.242 120.9 -1.4 -66.1 144.5 -8.3 -12.4 6.7 73 178 A G S S+ 0 0 25 1,-0.1 -3,-0.3 20,-0.1 22,-0.1 -0.388 97.1 75.1 69.8-157.6 -4.8 -12.4 5.1 74 179 A G S S+ 0 0 66 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.329 104.4 24.0 55.3-126.1 -3.8 -10.0 2.2 75 180 A I - 0 0 88 1,-0.1 -5,-0.4 -3,-0.1 3,-0.1 -0.498 65.8-175.7 -65.7 124.7 -3.2 -6.6 3.8 76 181 A L - 0 0 33 1,-0.4 17,-2.5 -2,-0.3 2,-0.3 0.811 62.8 -29.7 -87.6 -35.4 -2.4 -7.0 7.6 77 182 A A E -D 92 0A 11 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.950 54.6-155.1-170.9 159.3 -2.2 -3.3 8.5 78 183 A H E -D 91 0A 33 13,-2.5 13,-3.6 -2,-0.3 2,-0.3 -0.970 4.5-165.1-146.6 171.8 -1.4 0.1 7.1 79 184 A A E -D 90 0A 19 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.985 18.4-124.7-154.9 151.2 -0.3 3.6 8.5 80 185 A F - 0 0 39 9,-1.8 8,-0.6 6,-0.4 3,-0.1 -0.767 32.1-108.0-102.5 148.9 -0.1 7.1 7.2 81 186 A G - 0 0 34 -2,-0.3 7,-1.4 6,-0.2 8,-0.2 -0.106 58.5 -58.3 -71.5 173.0 3.0 9.2 7.1 82 187 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.056 85.2 98.3 -57.3 140.7 3.6 12.2 9.4 83 188 A G S S- 0 0 35 4,-0.2 -3,-0.1 -3,-0.1 -79,-0.0 -0.890 70.9 -55.8 161.5 178.7 1.0 15.0 9.4 84 189 A S S > S- 0 0 114 -2,-0.3 3,-2.1 2,-0.1 2,-0.1 -0.227 99.7 -4.5 -78.3 164.3 -2.1 16.4 11.1 85 190 A G T 3 S+ 0 0 42 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.290 141.5 9.9 58.8-120.2 -5.3 14.4 11.7 86 191 A I T > S+ 0 0 76 -2,-0.1 3,-2.1 2,-0.1 -6,-0.4 0.715 103.4 112.8 -67.1 -23.1 -5.1 10.9 10.1 87 192 A G T < S+ 0 0 8 -3,-2.1 -4,-0.2 1,-0.2 -6,-0.2 -0.214 83.7 15.4 -42.7 134.2 -1.4 11.5 9.4 88 193 A G T 3 S+ 0 0 0 -7,-1.4 -1,-0.2 -8,-0.6 30,-0.1 0.171 91.8 138.5 87.1 -20.8 0.6 9.1 11.6 89 194 A D < - 0 0 16 -3,-2.1 -9,-1.8 -8,-0.2 2,-0.5 -0.281 40.7-151.9 -71.6 140.6 -2.3 6.8 12.3 90 195 A A E -cD 56 79A 1 -35,-2.5 -33,-2.5 -11,-0.2 2,-0.4 -0.967 9.5-165.6-117.4 123.7 -1.6 3.1 12.3 91 196 A H E -cD 57 78A 12 -13,-3.6 -13,-2.5 -2,-0.5 2,-0.4 -0.922 2.7-159.8-113.6 134.2 -4.5 0.8 11.5 92 197 A F E -cD 58 77A 1 -35,-2.9 -33,-2.4 -2,-0.4 2,-0.7 -0.941 26.0-116.6-118.3 130.3 -4.5 -3.0 12.1 93 198 A D E > -c 59 0A 0 -17,-2.5 3,-1.9 -2,-0.4 -33,-0.2 -0.534 17.2-156.6 -68.7 114.4 -6.9 -5.3 10.2 94 199 A E T 3 S+ 0 0 15 -35,-2.8 -34,-0.2 -2,-0.7 4,-0.2 0.752 87.0 73.6 -61.0 -23.6 -9.2 -7.0 12.8 95 200 A D T 3 S+ 0 0 48 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.576 85.3 79.2 -76.2 -3.5 -9.8 -9.9 10.4 96 201 A E S < S- 0 0 6 -3,-1.9 2,-0.8 -20,-0.2 -77,-0.1 -0.555 90.5-118.5 -82.7 162.3 -6.3 -11.1 11.2 97 202 A F - 0 0 101 -2,-0.2 8,-2.9 -80,-0.0 2,-0.2 -0.882 31.9-152.2-104.9 103.3 -5.6 -13.0 14.4 98 203 A W E +e 105 0B 0 -2,-0.8 2,-0.3 6,-0.2 8,-0.2 -0.551 22.4 169.4 -76.1 140.5 -3.1 -10.9 16.4 99 204 A T E -e 106 0B 5 6,-1.5 8,-2.1 -2,-0.2 9,-0.5 -0.928 47.0-128.1-143.2 167.6 -0.7 -12.7 18.9 100 205 A T S S+ 0 0 64 -2,-0.3 40,-0.1 6,-0.2 2,-0.1 0.458 94.9 43.0 -86.1 -8.7 2.4 -12.3 21.1 101 206 A H S S- 0 0 95 2,-0.2 -2,-0.2 4,-0.1 6,-0.0 -0.308 107.6 -70.3-123.2-152.8 3.9 -15.4 19.5 102 207 A S S S+ 0 0 80 -2,-0.1 4,-0.2 3,-0.1 35,-0.1 0.667 97.9 95.2 -83.9 -18.8 4.5 -17.2 16.1 103 208 A G S S- 0 0 26 2,-0.1 -4,-0.2 -5,-0.0 -2,-0.2 -0.189 94.2 -14.3 -68.4 161.7 0.8 -18.1 15.7 104 209 A G S S- 0 0 40 -6,-0.1 2,-0.5 1,-0.1 -6,-0.2 -0.075 122.4 -29.5 39.1-130.6 -1.6 -15.9 13.6 105 210 A T E -e 98 0B 10 -8,-2.9 -6,-1.5 -29,-0.0 2,-0.3 -0.955 66.7-120.4-117.9 117.9 0.1 -12.6 12.9 106 211 A N E > -e 99 0B 1 -2,-0.5 4,-2.1 -8,-0.2 5,-0.2 -0.385 16.8-158.0 -60.1 112.7 2.6 -11.1 15.4 107 212 A L H > S+ 0 0 0 -8,-2.1 4,-3.3 -2,-0.3 5,-0.2 0.937 90.3 52.3 -51.8 -48.3 1.3 -7.7 16.7 108 213 A F H > S+ 0 0 22 -9,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.931 111.1 43.2 -58.1 -55.3 4.8 -6.6 17.8 109 214 A L H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 117.0 48.5 -61.6 -41.7 6.6 -7.3 14.5 110 215 A T H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.942 110.3 50.5 -62.2 -41.4 3.7 -5.8 12.5 111 216 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.3 5,-0.3 0.825 104.0 58.9 -73.2 -30.5 3.6 -2.6 14.7 112 217 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.3 0.931 110.7 42.3 -60.7 -47.4 7.3 -2.1 14.3 113 218 A H H X S+ 0 0 22 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.947 115.5 47.7 -63.0 -49.8 6.8 -1.9 10.5 114 219 A E H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.909 110.9 51.9 -61.4 -48.6 3.6 0.3 10.5 115 220 A I H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.882 101.5 60.6 -51.7 -41.3 5.3 2.7 13.1 116 221 A G H ><>S+ 0 0 0 -4,-1.6 5,-2.3 -5,-0.3 3,-0.6 0.961 109.3 44.0 -50.8 -48.9 8.2 3.0 10.6 117 222 A H H ><5S+ 0 0 30 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.909 107.9 56.8 -62.2 -42.7 5.5 4.3 8.1 118 223 A S H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.749 108.5 50.4 -57.2 -21.6 4.0 6.6 10.9 119 224 A L T <<5S- 0 0 0 -4,-1.6 -115,-0.3 -3,-0.6 -1,-0.3 0.555 130.5 -95.1 -95.8 -13.8 7.5 8.0 11.2 120 225 A G T < 5S+ 0 0 23 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.342 77.2 136.0 115.1 1.0 7.9 8.6 7.4 121 226 A L < - 0 0 17 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.463 33.5-161.9 -76.7 146.1 9.7 5.5 6.2 122 227 A G - 0 0 50 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 -0.108 40.8 -50.2-103.8-148.9 8.6 3.7 3.0 123 228 A H - 0 0 109 -2,-0.1 2,-0.3 -6,-0.0 9,-0.2 -0.597 42.9-144.0 -96.3 146.8 9.5 0.2 1.9 124 229 A S - 0 0 10 7,-1.9 25,-0.0 -2,-0.3 -1,-0.0 -0.767 9.7-148.4-103.2 147.8 12.8 -1.5 1.8 125 230 A S S S+ 0 0 114 -2,-0.3 -1,-0.1 7,-0.1 7,-0.1 0.538 73.1 101.6 -87.0 -8.5 13.9 -4.1 -0.9 126 231 A D > - 0 0 56 1,-0.2 3,-2.1 2,-0.0 6,-0.2 -0.666 64.4-152.7 -83.0 115.3 16.1 -5.9 1.7 127 232 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.753 96.8 61.5 -62.8 -14.2 14.3 -9.0 3.0 128 233 A K T 3 S+ 0 0 177 3,-0.1 2,-0.2 -3,-0.0 18,-0.1 0.676 87.8 94.9 -80.9 -12.6 16.4 -8.5 6.2 129 234 A A S X S- 0 0 7 -3,-2.1 3,-1.3 1,-0.1 16,-0.1 -0.445 74.3-138.2 -85.6 142.3 14.7 -5.2 6.8 130 235 A V T 3 S+ 0 0 21 1,-0.2 -1,-0.1 -2,-0.2 6,-0.1 0.805 107.4 59.9 -67.4 -25.5 11.7 -4.7 9.1 131 236 A M T 3 S+ 0 0 4 -5,-0.1 -7,-1.9 -8,-0.1 -1,-0.2 0.338 74.4 124.6 -82.8 6.3 10.5 -2.2 6.3 132 237 A F S < S- 0 0 58 -3,-1.3 -7,-0.1 -9,-0.2 -19,-0.0 -0.430 72.1-121.7 -61.0 142.1 10.5 -5.1 3.8 133 238 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.727 87.0 71.0 -67.7 -24.1 6.9 -5.1 2.3 134 239 A T S S- 0 0 98 1,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.743 83.5-116.8 -97.7 137.7 6.1 -8.8 3.2 135 240 A Y + 0 0 72 -2,-0.3 2,-0.4 2,-0.0 -5,-0.0 -0.620 34.2 176.6 -72.4 119.7 5.4 -10.1 6.7 136 241 A K - 0 0 174 -2,-0.5 2,-0.2 -6,-0.1 -2,-0.0 -0.988 27.0-128.0-123.0 123.6 7.9 -12.7 7.9 137 242 A Y + 0 0 71 -2,-0.4 2,-0.3 -35,-0.1 -35,-0.1 -0.480 33.6 169.0 -65.2 132.4 7.8 -14.2 11.4 138 243 A V - 0 0 57 -2,-0.2 5,-0.1 5,-0.0 -29,-0.1 -0.981 50.8 -79.4-136.4 150.8 11.0 -14.1 13.4 139 244 A D >> - 0 0 66 -2,-0.3 3,-1.5 1,-0.2 4,-0.7 -0.249 36.5-139.9 -49.8 117.2 11.5 -14.8 17.1 140 245 A I T 34 S+ 0 0 55 1,-0.3 -1,-0.2 2,-0.2 -39,-0.0 0.699 106.4 52.2 -59.8 -16.5 10.4 -11.6 18.8 141 246 A N T 34 S+ 0 0 132 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.724 109.1 47.6 -86.9 -29.8 13.4 -12.2 21.1 142 247 A T T <4 S+ 0 0 98 -3,-1.5 -2,-0.2 2,-0.0 2,-0.2 0.378 87.4 128.9 -89.4 1.5 15.8 -12.5 18.1 143 248 A F < + 0 0 36 -4,-0.7 2,-0.3 -5,-0.1 -3,-0.0 -0.369 26.7 162.7 -73.0 129.1 14.4 -9.4 16.4 144 249 A R - 0 0 207 -2,-0.2 2,-0.2 0, 0.0 -2,-0.0 -0.994 39.6-112.1-139.0 149.1 16.8 -6.6 15.3 145 250 A L - 0 0 23 -2,-0.3 2,-0.1 -110,-0.1 -16,-0.1 -0.546 40.2-121.9 -69.7 143.9 16.5 -3.6 12.9 146 251 A S > - 0 0 15 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.447 22.9-105.3 -82.3 161.9 18.7 -4.1 9.8 147 252 A A H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 123.6 56.5 -50.0 -37.9 21.4 -1.7 8.7 148 253 A D H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 106.5 45.9 -66.2 -45.3 19.0 -0.6 6.1 149 254 A D H > S+ 0 0 3 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.947 114.3 48.4 -58.7 -50.9 16.2 0.4 8.5 150 255 A I H X S+ 0 0 53 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.966 112.9 48.2 -56.9 -54.4 18.6 2.2 10.8 151 256 A R H X S+ 0 0 182 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.899 112.8 50.0 -49.8 -46.1 20.1 4.1 7.8 152 257 A G H X S+ 0 0 21 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.923 113.6 42.2 -62.6 -47.5 16.5 4.9 6.6 153 258 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.4 0.868 113.6 53.8 -69.6 -35.2 15.3 6.3 10.0 154 259 A Q H < S+ 0 0 87 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.792 101.8 57.9 -72.0 -20.9 18.6 8.2 10.5 155 260 A S H < S+ 0 0 91 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.802 115.2 39.5 -74.6 -23.0 18.2 9.9 7.1 156 261 A L H < S+ 0 0 44 -4,-0.7 -2,-0.2 -3,-0.4 2,-0.2 0.792 128.9 11.2 -89.3 -39.4 14.9 11.2 8.4 157 262 A Y < 0 0 17 -4,-2.3 -1,-0.0 1,-0.1 0, 0.0 -0.745 360.0 360.0-130.1 179.2 15.7 12.1 12.2 158 263 A G 0 0 110 -2,-0.2 -1,-0.1 -3,-0.1 -4,-0.1 0.713 360.0 360.0 40.3 360.0 18.9 12.4 14.2