==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAR-03 1OO9 . COMPND 2 MOLECULE: STROMELYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ARUMUGAM,S.R.VAN DOREN . 294 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 2 3 0 3 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 1 1 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 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 83 A F 0 0 95 0, 0.0 5,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-155.4 57.1 85.7 21.9 2 84 A R - 0 0 240 3,-0.1 4,-0.0 1,-0.1 0, 0.0 0.858 360.0 -8.5 -65.3 -39.7 57.0 88.6 19.4 3 85 A T S S+ 0 0 87 1,-0.3 199,-0.1 2,-0.1 -1,-0.1 0.658 129.0 53.9-127.0 -47.5 60.5 88.3 18.2 4 86 A F S S- 0 0 60 1,-0.1 -1,-0.3 198,-0.1 199,-0.0 -0.703 94.0-102.1 -88.4 148.4 62.5 85.8 20.3 5 87 A P S S+ 0 0 92 0, 0.0 82,-0.2 0, 0.0 2,-0.1 -0.260 71.1 88.7 -68.0 157.6 61.0 82.3 20.7 6 88 A G - 0 0 9 -5,-0.2 83,-0.3 87,-0.1 -2,-0.0 -0.424 57.3-117.1 132.5 154.2 59.1 81.4 23.8 7 89 A I - 0 0 30 81,-2.6 3,-0.1 -2,-0.1 0, 0.0 -0.897 24.5-119.2-123.4 152.7 55.7 81.4 25.5 8 90 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.817 93.7 0.9 -58.5 -35.1 54.4 83.2 28.7 9 91 A K S S- 0 0 80 78,-0.1 2,-0.4 154,-0.0 117,-0.1 -0.979 82.6 -93.4-151.1 159.1 53.5 79.9 30.5 10 92 A W - 0 0 14 115,-0.4 2,-0.5 -2,-0.3 5,-0.0 -0.608 29.8-139.5 -74.6 130.6 53.7 76.2 29.9 11 93 A R S S+ 0 0 210 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.016 83.3 53.3 -83.7 36.5 50.4 75.0 28.5 12 94 A K - 0 0 98 -2,-0.5 -2,-0.1 1,-0.1 3,-0.1 -0.962 69.1-143.0-161.7 154.3 50.5 71.9 30.7 13 95 A T S S+ 0 0 53 -2,-0.3 36,-2.0 1,-0.1 2,-1.0 0.728 83.8 73.2 -94.2 -30.0 50.9 71.2 34.4 14 96 A H E -a 49 0A 130 34,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.784 67.6-176.5 -95.3 99.1 53.0 68.1 34.3 15 97 A L E -a 50 0A 0 34,-2.4 36,-2.0 -2,-1.0 2,-0.3 -0.620 13.3-151.4 -96.1 155.3 56.5 69.0 33.3 16 98 A T E -a 51 0A 26 -2,-0.2 44,-1.7 34,-0.2 43,-1.5 -0.917 15.4-178.1-122.0 147.5 59.5 66.8 32.7 17 99 A Y E -ab 52 60A 7 34,-1.9 36,-2.0 -2,-0.3 2,-0.3 -0.953 11.6-153.7-144.8 161.0 63.2 67.7 33.1 18 100 A R E - b 0 61A 53 42,-2.7 44,-2.7 -2,-0.3 2,-1.4 -0.991 17.6-141.1-143.3 134.5 66.7 66.2 32.7 19 101 A I E - b 0 62A 10 34,-0.5 44,-0.2 -2,-0.3 42,-0.1 -0.685 26.6-169.2 -89.6 86.4 70.0 66.8 34.3 20 102 A V - 0 0 63 42,-2.0 2,-0.2 -2,-1.4 -1,-0.2 0.867 58.8 -6.3 -43.8 -62.4 72.1 66.4 31.1 21 103 A N S S- 0 0 66 41,-0.4 2,-0.3 -3,-0.1 43,-0.1 -0.797 71.7-114.1-132.4 177.2 75.6 66.3 32.6 22 104 A Y - 0 0 59 -2,-0.2 3,-0.1 41,-0.1 6,-0.1 -0.823 14.0-124.5-120.2 156.5 77.3 66.7 35.9 23 105 A T > - 0 0 4 -2,-0.3 3,-0.9 1,-0.1 8,-0.1 -0.773 12.6-144.6 -92.1 133.6 79.7 69.0 37.6 24 106 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.923 93.3 78.7 -60.2 -41.7 82.9 67.5 39.1 25 107 A D T 3 S+ 0 0 47 77,-0.1 78,-0.0 75,-0.1 75,-0.0 0.748 102.8 32.6 -31.6 -44.4 82.7 70.1 41.9 26 108 A L S < S- 0 0 24 -3,-0.9 -3,-0.1 79,-0.1 5,-0.1 -0.948 93.1 -97.7-128.4 145.2 80.0 67.9 43.5 27 109 A P >> - 0 0 91 0, 0.0 3,-2.6 0, 0.0 4,-1.2 -0.299 39.5-118.8 -56.4 130.9 79.1 64.2 43.8 28 110 A K H >> S+ 0 0 141 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.838 114.0 56.3 -37.8 -49.6 76.5 63.3 41.3 29 111 A D H 3> S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.783 104.2 53.7 -57.0 -30.3 74.1 62.3 44.0 30 112 A A H <> S+ 0 0 21 -3,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.782 103.3 55.6 -76.5 -28.0 74.3 65.8 45.6 31 113 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.3 3,-0.5 0.935 107.4 45.2 -53.8 -54.9 65.0 73.3 43.9 39 121 A L H >X S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 4,-1.3 0.874 105.0 62.1 -59.3 -39.8 62.1 72.2 41.8 40 122 A K H 3X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.863 89.4 70.7 -56.6 -35.8 60.0 71.2 44.9 41 123 A V H << S+ 0 0 10 -4,-1.3 4,-0.4 -3,-0.5 -1,-0.3 0.836 106.6 37.7 -49.9 -38.7 60.1 74.9 46.0 42 124 A W H << S+ 0 0 0 -3,-1.3 4,-0.3 -4,-0.6 6,-0.3 0.737 109.4 60.9 -86.7 -26.3 57.8 75.7 43.1 43 125 A E H >< S+ 0 0 66 -4,-1.3 3,-1.0 1,-0.2 -2,-0.2 0.859 98.6 58.5 -67.4 -35.5 55.6 72.6 43.3 44 126 A E T 3< S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.7 43.2 -62.4 -34.0 54.5 73.4 46.8 45 127 A V T 3 S+ 0 0 20 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.382 121.5 31.2 -94.8 4.0 53.1 76.7 45.6 46 128 A T S < S- 0 0 2 -3,-1.0 119,-0.1 -4,-0.3 115,-0.1 -0.881 84.5-104.1-146.7 174.4 51.4 75.5 42.5 47 129 A P S S+ 0 0 38 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.252 76.9 129.3 -86.0 14.6 49.7 72.4 40.9 48 130 A L - 0 0 3 -6,-0.3 2,-0.3 -5,-0.1 -34,-0.2 -0.346 41.6-160.7 -74.1 148.9 52.8 71.7 38.9 49 131 A T E -a 14 0A 48 -36,-2.0 -34,-2.4 -2,-0.1 2,-0.4 -0.955 3.5-153.4-130.2 147.6 54.5 68.4 38.8 50 132 A F E -a 15 0A 25 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.980 6.6-170.9-129.1 121.9 58.0 67.4 37.8 51 133 A S E -a 16 0A 59 -36,-2.0 -34,-1.9 -2,-0.4 2,-0.2 -0.936 20.4-134.0-112.3 126.0 59.1 64.1 36.5 52 134 A R E -a 17 0A 46 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.553 23.5-170.2 -80.2 142.9 62.8 63.3 36.1 53 135 A L - 0 0 61 -36,-2.0 -34,-0.5 -2,-0.2 3,-0.1 -0.810 21.9-165.4-126.0 166.3 64.0 61.7 32.8 54 136 A Y S S+ 0 0 151 1,-0.3 2,-0.3 -2,-0.3 -36,-0.1 0.285 74.8 32.1-133.9 5.8 67.3 60.2 31.7 55 137 A E S S+ 0 0 160 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 -0.976 96.9 26.2-159.7 154.5 66.9 60.0 28.0 56 138 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.227 99.2 -46.7 81.6-176.5 65.2 61.9 25.3 57 139 A E - 0 0 154 -2,-0.0 2,-0.1 4,-0.0 3,-0.0 -0.848 54.8-169.9-100.0 116.7 64.3 65.6 25.4 58 140 A A - 0 0 9 -2,-0.6 -41,-0.2 1,-0.1 3,-0.2 -0.378 35.1-110.3 -89.1 176.7 62.6 66.8 28.6 59 141 A D S S+ 0 0 27 -43,-1.5 2,-0.9 1,-0.3 -42,-0.2 0.982 109.6 43.6 -69.3 -57.8 61.1 70.3 28.8 60 142 A I E S-b 17 0A 0 -44,-1.7 -42,-2.7 35,-0.1 2,-0.9 -0.792 73.1-167.0 -96.8 104.2 63.8 71.6 31.2 61 143 A M E -b 18 0A 15 -2,-0.9 35,-1.5 32,-0.3 2,-0.4 -0.791 9.8-164.8 -91.9 102.1 67.2 70.5 30.1 62 144 A I E +bc 19 96A 1 -44,-2.7 -42,-2.0 -2,-0.9 -41,-0.4 -0.741 20.1 154.7 -89.8 133.3 69.5 71.3 33.0 63 145 A S E - c 0 97A 16 33,-1.9 35,-2.2 -2,-0.4 2,-0.4 -0.999 38.5-125.0-159.9 156.1 73.3 71.3 32.3 64 146 A F E + c 0 98A 8 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.842 36.4 158.2-103.7 139.4 76.7 72.5 33.3 65 147 A A E - c 0 99A 17 33,-2.8 35,-2.7 -2,-0.4 36,-0.4 -0.926 28.1-139.5-151.5 171.6 79.0 74.3 30.9 66 148 A V - 0 0 58 2,-0.3 10,-0.1 -2,-0.3 33,-0.1 -0.993 64.2 -36.4-138.9 140.5 82.0 76.7 30.6 67 149 A R S S+ 0 0 138 -2,-0.3 8,-2.0 7,-0.1 2,-0.2 -0.165 126.3 24.7 47.0-128.6 82.7 79.6 28.3 68 150 A E + 0 0 124 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.470 68.6 156.5 -67.4 130.1 81.2 78.6 24.9 69 151 A H - 0 0 38 2,-0.4 2,-0.6 -2,-0.2 -1,-0.1 0.064 63.3 -79.2-147.9 33.3 78.4 76.0 25.2 70 152 A G S S+ 0 0 65 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 -0.463 100.7 80.7 108.2 -64.9 76.0 76.0 22.2 71 153 A D S S- 0 0 12 -2,-0.6 -2,-0.4 2,-0.1 -1,-0.3 -0.134 93.3 -97.4 -73.1 176.6 73.6 79.0 22.8 72 154 A F S S+ 0 0 140 1,-0.2 -1,-0.1 -3,-0.1 -4,-0.0 0.193 105.3 74.7 -83.2 18.4 74.4 82.6 22.0 73 155 A Y - 0 0 31 -6,-0.1 -1,-0.2 160,-0.0 -2,-0.1 -0.664 67.0-164.3-133.5 82.3 75.4 83.5 25.5 74 156 A P - 0 0 65 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.272 28.5-106.9 -62.4 147.9 78.9 82.1 26.6 75 157 A F - 0 0 6 -8,-2.0 2,-0.3 1,-0.1 7,-0.1 -0.496 20.6-125.7 -81.7 148.6 79.7 82.1 30.2 76 158 A D - 0 0 45 5,-0.3 -1,-0.1 1,-0.2 6,-0.0 -0.022 42.1-113.7 -84.0 30.9 82.1 84.6 31.7 77 159 A G S S- 0 0 0 -2,-0.3 -1,-0.2 3,-0.1 24,-0.1 -0.296 76.0 -2.9 70.6-165.7 84.6 82.3 33.4 78 160 A P S S+ 0 0 93 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.344 117.3 2.7 -62.5 141.7 84.8 82.3 37.3 79 161 A G S S+ 0 0 23 1,-0.2 2,-0.3 20,-0.1 -3,-0.2 -0.247 98.7 56.8 83.0-172.5 82.7 84.9 39.0 80 162 A N S S+ 0 0 43 93,-0.4 93,-1.3 94,-0.1 2,-0.7 -0.278 105.3 37.4 50.4-104.5 80.1 87.4 37.8 81 163 A V E +D 172 0A 11 -2,-0.3 -5,-0.3 91,-0.2 91,-0.2 -0.701 61.9 176.0 -84.2 111.1 77.4 85.5 35.9 82 164 A L E - 0 0 0 89,-1.0 17,-2.7 -2,-0.7 2,-0.3 0.743 60.7 -18.6 -86.5 -27.6 76.8 82.2 37.6 83 165 A A E -DE 171 98A 0 88,-1.0 88,-1.4 15,-0.2 2,-0.3 -0.968 50.9-154.5-172.9 163.2 74.0 80.9 35.4 84 166 A H E - E 0 97A 3 13,-1.5 13,-2.6 -2,-0.3 2,-0.3 -0.954 9.5-167.3-144.9 161.4 71.2 81.6 33.0 85 167 A A E - E 0 96A 0 152,-1.1 2,-0.3 -2,-0.3 11,-0.2 -0.954 15.3-122.6-149.1 164.5 67.9 80.1 31.8 86 168 A Y - 0 0 18 9,-2.6 40,-0.1 -2,-0.3 3,-0.1 -0.809 27.0-109.8-114.7 154.4 65.2 80.3 29.2 87 169 A A - 0 0 11 -2,-0.3 7,-1.3 -82,-0.2 8,-0.2 -0.245 54.0 -67.7 -74.0 164.4 61.5 81.0 29.3 88 170 A P S S+ 0 0 0 0, 0.0 -81,-2.6 0, 0.0 -1,-0.2 -0.059 85.4 84.9 -49.3 151.4 58.8 78.4 28.6 89 171 A G S S- 0 0 9 -83,-0.3 2,-0.1 4,-0.2 -3,-0.0 -0.871 73.3 -34.8 147.0-177.7 58.6 77.1 25.1 90 172 A P S > S- 0 0 95 0, 0.0 3,-1.2 0, 0.0 2,-0.3 -0.400 98.1 -13.0 -77.4 153.5 59.9 74.6 22.5 91 173 A G T 3 S+ 0 0 58 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.440 135.2 12.5 69.0-120.5 63.4 73.3 22.2 92 174 A I T > S+ 0 0 72 -2,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.610 103.5 112.8 -68.4 -12.4 66.1 75.2 24.2 93 175 A N T < S+ 0 0 11 -3,-1.2 -32,-0.3 1,-0.2 -4,-0.2 -0.226 76.0 20.1 -64.0 150.7 63.3 77.0 26.1 94 176 A G T 3 S+ 0 0 0 -7,-1.3 -1,-0.2 1,-0.2 30,-0.2 0.180 96.2 131.5 78.1 -22.2 62.8 76.2 29.7 95 177 A D < - 0 0 13 -3,-1.3 -9,-2.6 -8,-0.2 2,-0.4 -0.170 44.3-152.8 -64.7 158.1 66.4 75.0 29.8 96 178 A A E -cE 62 85A 0 -35,-1.5 -33,-1.9 -11,-0.2 2,-0.3 -0.997 6.5-165.2-137.4 128.8 68.8 76.1 32.5 97 179 A H E -cE 63 84A 18 -13,-2.6 -13,-1.5 -2,-0.4 2,-0.4 -0.874 6.8-151.9-114.5 150.3 72.6 76.2 32.2 98 180 A F E -cE 64 83A 0 -35,-2.2 -33,-2.8 -2,-0.3 2,-0.8 -0.971 19.9-119.5-129.3 137.4 75.2 76.5 34.9 99 181 A D E > -c 65 0A 0 -17,-2.7 3,-1.7 -2,-0.4 -33,-0.2 -0.576 21.4-169.3 -74.4 103.8 78.7 78.1 35.0 100 182 A D T 3 S+ 0 0 32 -35,-2.7 4,-0.2 -2,-0.8 -1,-0.2 0.784 79.5 76.4 -65.6 -26.1 81.0 75.2 36.0 101 183 A D T 3 S+ 0 0 57 -36,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.639 85.1 84.5 -58.6 -13.5 83.9 77.7 36.5 102 184 A E S < S- 0 0 16 -3,-1.7 2,-1.0 -20,-0.2 -77,-0.1 -0.460 94.4-107.9 -86.0 165.2 82.1 78.5 39.8 103 185 A Q - 0 0 116 -2,-0.1 8,-2.7 -78,-0.0 2,-0.4 -0.831 37.0-155.8 -96.4 99.6 82.5 76.5 42.9 104 186 A W E +g 111 0B 0 -2,-1.0 2,-0.3 -4,-0.2 8,-0.2 -0.664 19.0 173.0 -80.5 126.3 79.3 74.6 43.3 105 187 A T E -g 112 0B 9 6,-1.4 8,-1.3 -2,-0.4 9,-0.3 -0.976 39.4-146.5-135.9 149.8 78.4 73.5 46.8 106 188 A K S S+ 0 0 58 -2,-0.3 2,-0.2 6,-0.2 6,-0.1 0.284 88.1 51.4 -90.8 8.5 75.5 71.9 48.6 107 189 A D S S- 0 0 84 2,-0.1 2,-2.0 4,-0.0 -2,-0.1 -0.804 105.7 -80.0-135.2 179.3 76.3 74.0 51.7 108 190 A T S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.261 104.7 84.9 -78.2 51.9 77.0 77.6 52.8 109 191 A T S S- 0 0 109 -2,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.359 99.1 -4.3-151.1 59.3 80.6 77.5 51.6 110 192 A G S S- 0 0 35 -5,-0.1 2,-0.9 -4,-0.1 -6,-0.2 -0.935 112.7 -28.5 147.6-162.4 80.5 78.3 47.9 111 193 A T E -g 104 0B 19 -8,-2.7 -6,-1.4 -2,-0.3 2,-0.5 -0.761 66.6-130.0 -89.6 104.9 77.8 79.0 45.3 112 194 A N E > -g 105 0B 3 -2,-0.9 4,-2.1 -8,-0.2 5,-0.2 -0.356 12.4-157.1 -58.7 105.5 74.8 77.0 46.5 113 195 A L H > S+ 0 0 0 -8,-1.3 4,-3.1 -2,-0.5 5,-0.2 0.863 91.4 55.2 -51.5 -41.9 73.5 75.0 43.5 114 196 A F H > S+ 0 0 1 -9,-0.3 4,-3.2 2,-0.2 5,-0.3 0.973 106.1 49.6 -57.1 -57.4 70.1 74.8 45.1 115 197 A L H > S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 116.1 42.6 -48.2 -48.5 69.6 78.5 45.5 116 198 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.931 113.4 50.2 -67.6 -46.4 70.7 79.2 41.9 117 199 A A H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.946 108.3 54.5 -58.2 -44.0 68.7 76.3 40.4 118 200 A A H X S+ 0 0 0 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.2 0.899 112.2 44.6 -54.4 -43.1 65.6 77.5 42.3 119 201 A H H X S+ 0 0 1 -4,-1.6 4,-0.8 -5,-0.3 3,-0.3 0.956 114.5 47.0 -65.3 -53.4 66.1 80.9 40.7 120 202 A E H >X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 3,-1.0 0.883 107.0 56.9 -59.4 -39.6 66.7 79.7 37.2 121 203 A I H 3X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.3 -1,-0.2 0.893 96.7 64.7 -59.9 -37.0 63.8 77.3 37.3 122 204 A G H 3<>S+ 0 0 0 -4,-1.3 5,-2.9 -3,-0.3 4,-0.4 0.886 103.9 47.6 -52.3 -35.7 61.6 80.3 38.0 123 205 A H H X<5S+ 0 0 1 -3,-1.0 3,-1.0 -4,-0.8 -1,-0.2 0.889 105.6 56.4 -72.8 -40.8 62.6 81.5 34.5 124 206 A S H 3<5S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 109.7 48.5 -58.6 -28.7 61.9 78.1 32.9 125 207 A L T 3<5S- 0 0 0 -4,-1.8 -115,-0.4 -5,-0.2 -1,-0.3 0.549 131.4 -90.1 -88.6 -12.5 58.4 78.5 34.3 126 208 A G T < 5S+ 0 0 13 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.555 77.4 137.2 116.7 10.5 57.8 82.0 33.1 127 209 A L < - 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0 0 0 -5,-1.7 2,-0.3 26,-0.2 -1,-0.2 -0.335 40.1-121.0 -61.3 139.8 70.0 91.6 30.0 241 372 B Y - 0 0 35 24,-0.3 2,-0.6 -8,-0.1 26,-0.1 -0.637 20.5-149.8 -84.4 140.3 70.5 94.8 32.0 242 373 B F - 0 0 126 -2,-0.3 2,-0.5 25,-0.1 24,-0.0 -0.891 9.8-168.5-119.9 107.7 67.4 96.9 32.8 243 374 B H + 0 0 26 -2,-0.6 2,-0.1 1,-0.0 -2,-0.0 -0.797 13.4 165.5 -97.1 124.5 67.7 100.7 33.1 244 375 B R + 0 0 171 -2,-0.5 2,-0.3 0, 0.0 -1,-0.0 -0.558 15.8 144.7-138.1 74.1 64.9 102.8 34.6 245 376 B S - 0 0 41 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.816 40.6-144.9-111.2 152.0 65.8 106.4 35.6 246 377 B H S S+ 0 0 180 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.816 84.6 58.9 -79.7 -38.6 63.6 109.5 35.3 247 378 B N > - 0 0 87 1,-0.1 3,-1.3 2,-0.0 -1,-0.1 -0.887 63.2-163.3-103.8 114.4 66.3 112.2 34.5 248 379 B R T 3 S+ 0 0 136 -2,-0.6 -1,-0.1 1,-0.2 -56,-0.1 0.659 86.1 63.5 -69.9 -20.0 68.3 111.5 31.4 249 380 B S T 3 S+ 0 0 86 -58,-0.1 -1,-0.2 2,-0.1 -56,-0.1 0.519 78.4 118.0 -78.9 -5.1 71.1 113.9 32.2 250 381 B E < - 0 0 53 -3,-1.3 -58,-0.4 -58,-0.1 2,-0.4 -0.337 63.0-128.0 -63.1 143.1 72.0 111.7 35.2 251 382 B E - 0 0 46 -60,-0.1 23,-2.0 -62,-0.0 24,-0.6 -0.806 23.1-169.9-105.0 141.1 75.4 110.1 35.1 252 383 B F E -HJ 190 273C 9 -62,-2.6 -62,-1.7 -2,-0.4 2,-0.6 -0.835 23.8-130.7-122.6 156.9 76.4 106.5 35.6 253 384 B L E -HJ 189 272C 0 19,-2.7 19,-1.1 -2,-0.3 2,-0.5 -0.951 29.8-174.7-108.1 112.8 79.6 104.5 36.1 254 385 B I E -HJ 188 271C 0 -66,-1.7 -66,-1.6 -2,-0.6 2,-0.6 -0.953 9.3-169.8-112.2 119.2 79.4 101.6 33.6 255 386 B A E +H 187 0C 2 15,-1.7 15,-0.4 -2,-0.5 2,-0.3 -0.943 28.2 159.3-107.6 112.9 82.2 99.0 33.8 256 387 B G E -H 186 0C 1 -70,-2.7 -71,-2.7 -2,-0.6 -70,-2.5 -0.845 37.5-117.5-136.4 171.8 82.0 96.8 30.8 257 388 B K E -N 264 0D 105 7,-1.4 7,-2.6 -2,-0.3 2,-0.6 -0.520 25.9-123.9 -99.5 169.4 83.6 94.3 28.4 258 389 B L E -N 263 0D 54 5,-0.2 2,-0.6 -2,-0.2 5,-0.2 -0.871 20.9-176.1-120.8 99.5 84.3 94.6 24.7 259 390 B Q E > S-N 262 0D 95 3,-1.8 3,-2.3 -2,-0.6 2,-0.3 -0.860 82.1 -27.0 -89.3 125.2 82.9 91.9 22.5 260 391 B D T 3 S- 0 0 144 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.551 127.9 -41.6 65.0-126.4 84.2 92.8 19.1 261 392 B G T 3 S+ 0 0 60 -2,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.111 117.1 108.9-115.6 21.0 84.6 96.6 19.5 262 393 B L E < - N 0 259D 68 -3,-2.3 -3,-1.8 -35,-0.0 2,-0.4 -0.822 69.3-123.7-108.7 138.1 81.3 96.9 21.4 263 394 B L E -mN 230 258D 2 -34,-0.6 -32,-3.4 -2,-0.4 2,-0.3 -0.636 31.1-164.9 -77.5 123.9 80.7 97.6 25.0 264 395 B H E -mN 231 257D 24 -7,-2.6 -7,-1.4 -2,-0.4 2,-0.3 -0.875 9.5-177.0-115.3 149.5 78.6 95.0 26.7 265 396 B I - 0 0 0 -34,-2.5 -24,-0.3 -2,-0.3 2,-0.2 -0.918 2.3-175.2-136.3 155.5 76.8 95.1 30.0 266 397 B T > - 0 0 35 -2,-0.3 3,-0.5 -34,-0.2 -26,-0.2 -0.853 48.3 -79.6-144.1 178.1 74.8 92.4 31.9 267 398 B T T 3 S+ 0 0 22 -28,-1.9 -27,-0.1 1,-0.3 -95,-0.1 0.767 130.8 41.6 -51.6 -31.6 72.7 92.1 35.1 268 399 B b T 3 S+ 0 0 4 -29,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.722 83.8 118.3 -92.4 -25.0 75.9 91.9 37.2 269 400 B S S < S- 0 0 26 -3,-0.5 2,-0.8 1,-0.2 -13,-0.1 -0.127 79.5-104.4 -44.5 136.1 77.9 94.5 35.4 270 401 B F + 0 0 32 -15,-0.4 -15,-1.7 -94,-0.1 2,-0.4 -0.573 57.8 156.8 -71.1 107.0 78.7 97.3 37.9 271 402 B V E +J 254 0C 23 -2,-0.8 -17,-0.2 -17,-0.2 -19,-0.0 -0.976 5.0 145.4-135.4 117.4 76.4 100.1 37.0 272 403 B A E -J 253 0C 19 -19,-1.1 -19,-2.7 -2,-0.4 2,-0.2 -0.982 54.9 -91.8-148.1 149.0 75.5 102.7 39.5 273 404 B P E >> -J 252 0C 37 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.469 33.3-130.0 -65.0 135.2 74.8 106.4 39.3 274 405 B W G >4 S+ 0 0 27 -23,-2.0 3,-1.0 1,-0.3 -22,-0.1 0.855 105.6 59.3 -49.3 -43.4 78.0 108.4 39.8 275 406 B N G 34 S+ 0 0 111 -24,-0.6 -1,-0.3 1,-0.2 -23,-0.1 0.638 99.7 54.5 -61.2 -21.3 76.3 110.6 42.4 276 407 B S G <4 S+ 0 0 76 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.656 88.0 106.7 -86.8 -17.3 75.4 107.7 44.6 277 408 B L S << S- 0 0 6 -3,-1.0 -3,-0.0 -4,-0.7 5,-0.0 -0.423 74.9-117.4 -67.8 131.6 79.1 106.7 44.7 278 409 B S > - 0 0 51 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.202 25.4-112.5 -62.8 160.5 81.1 107.3 47.8 279 410 B L H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.846 120.3 53.9 -62.7 -35.1 84.1 109.7 47.7 280 411 B A H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.973 107.8 46.9 -64.0 -56.6 86.2 106.6 48.3 281 412 B Q H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.879 111.8 52.3 -52.7 -42.0 84.8 104.6 45.4 282 413 B R H X S+ 0 0 64 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.950 110.7 47.5 -58.7 -48.6 85.1 107.7 43.1 283 414 B R H X>S+ 0 0 176 -4,-2.2 4,-2.5 1,-0.2 5,-1.5 0.819 111.0 52.5 -61.2 -34.3 88.8 108.0 44.1 284 415 B G H <>S+ 0 0 1 -4,-2.3 5,-2.4 3,-0.2 6,-0.4 0.937 111.5 44.8 -67.5 -48.1 89.2 104.3 43.5 285 416 B F H <5S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.2 44.4 -61.7 -43.3 87.8 104.5 40.0 286 417 B T H <5S- 0 0 67 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 139.4 -16.9 -70.9 -37.6 89.8 107.6 39.2 287 418 B K T <5S+ 0 0 138 -4,-2.5 4,-0.4 -5,-0.2 -3,-0.2 0.681 120.4 52.0-135.9 -46.1 93.1 106.5 40.6 288 419 B T T >>>> S+ 0 0 77 -6,-0.4 3,-1.6 1,-0.3 4,-0.6 0.881 93.7 66.7 -50.0 -41.7 94.5 99.9 39.0 291 422 B V H <4 S+ 0 0 125 -3,-0.6 -1,-0.3 -4,-0.4 4,-0.2 0.808 105.9 40.7 -50.2 -34.8 97.1 99.6 41.7 292 423 B G H << S+ 0 0 30 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.498 94.4 86.9 -95.9 -1.2 95.5 96.3 42.8 293 424 B c H << S+ 0 0 33 -3,-1.6 -2,-0.1 -4,-0.6 -1,-0.1 0.933 84.3 44.4 -67.3 -54.6 94.7 94.8 39.4 294 425 B E < 0 0 173 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.746 360.0 360.0 -66.4 -23.0 97.8 92.8 38.3 295 426 B E 0 0 220 -4,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.773 360.0 360.0-118.0 360.0 98.5 91.2 41.6