==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-12 4AXV . COMPND 2 MOLECULE: MPAA; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR A.MAQBOOL,M.HERVE,D.MENGIN-LECREULX,E.DODSON,A.J.WILKINSON,G . 241 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.5 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 1 0 1 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 -6 A V 0 0 189 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.7 -14.5 70.2 46.8 2 -5 A L - 0 0 171 1,-0.3 2,-0.3 0, 0.0 0, 0.0 0.853 360.0 -12.0 -83.7 -32.8 -12.0 73.0 47.4 3 -4 A F S S- 0 0 159 3,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.943 78.2 -93.7-155.4 156.8 -10.0 72.9 44.1 4 -3 A Q - 0 0 182 -2,-0.3 3,-0.1 -3,-0.1 0, 0.0 -0.713 52.1-108.6 -75.8 127.0 -9.7 70.4 41.1 5 -2 A G - 0 0 54 -2,-0.4 -1,-0.1 1,-0.1 2,-0.0 -0.088 53.4 -78.2 -51.9 156.4 -6.7 68.1 41.9 6 -1 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.297 43.5-108.0 -68.7 147.6 -3.8 68.8 39.6 7 0 A A - 0 0 100 -3,-0.1 2,-0.1 1,-0.1 -3,-0.0 -0.484 45.0-103.1 -62.1 143.1 -3.7 67.7 35.9 8 1 A X - 0 0 67 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.465 34.8-123.0 -63.5 135.4 -1.1 64.8 35.6 9 2 A S - 0 0 102 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.777 38.2-167.9 -88.9 134.2 2.1 66.2 34.0 10 3 A L - 0 0 54 -2,-0.4 62,-0.2 62,-0.1 3,-0.1 -0.785 31.3 -90.6-123.5 155.0 2.9 64.2 30.8 11 4 A I - 0 0 21 60,-2.7 5,-0.1 -2,-0.3 -1,-0.1 -0.449 65.5 -91.9 -56.4 136.5 5.7 63.7 28.3 12 5 A P > - 0 0 81 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.334 33.2-122.1 -53.4 135.2 5.0 66.3 25.6 13 6 A R G > S+ 0 0 205 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.826 110.6 63.6 -46.7 -40.3 2.8 64.7 22.8 14 7 A T G 3 S+ 0 0 119 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.761 105.0 46.5 -60.0 -26.7 5.5 65.4 20.2 15 8 A E G X S+ 0 0 117 -3,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.425 82.5 102.1 -96.0 1.2 7.9 63.0 22.0 16 9 A R T < + 0 0 52 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.502 57.5 76.7 -77.0 -5.0 5.5 60.1 22.6 17 10 A A T 3 S+ 0 0 95 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.768 86.3 81.4 -68.1 -23.8 6.6 57.6 19.9 18 11 A A S < S- 0 0 53 -3,-1.3 2,-0.6 52,-0.1 3,-0.1 -0.510 74.7-139.0 -82.1 149.1 9.7 56.7 22.1 19 12 A F - 0 0 92 -2,-0.2 51,-0.1 1,-0.1 -2,-0.0 -0.948 11.8-167.0 -95.0 113.7 9.7 54.3 25.0 20 13 A L S S+ 0 0 123 -2,-0.6 2,-0.5 1,-0.1 -1,-0.1 0.703 74.8 68.5 -76.2 -17.8 11.9 56.0 27.7 21 14 A I S S- 0 0 19 -3,-0.1 -1,-0.1 17,-0.0 20,-0.0 -0.909 83.3-137.8-100.0 122.2 11.9 52.7 29.7 22 15 A T - 0 0 117 -2,-0.5 -2,-0.1 1,-0.1 15,-0.0 -0.656 27.5-130.0 -71.4 124.6 13.9 49.9 28.0 23 16 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.312 10.8-133.6 -73.2 163.9 11.8 46.8 28.5 24 17 A T E -A 37 0A 67 13,-3.1 13,-2.2 -2,-0.0 2,-0.2 -0.967 18.8-124.9-110.7 136.6 13.2 43.5 29.8 25 18 A S E -A 36 0A 62 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.557 23.6-178.4 -72.8 140.4 12.4 40.2 28.1 26 19 A Y E - 0 0 30 9,-2.3 2,-0.3 1,-0.3 10,-0.1 0.137 63.5 -38.7-121.0 15.9 10.8 37.5 30.4 27 20 A G E -A 35 0A 24 8,-0.8 8,-2.4 123,-0.0 2,-0.3 -0.974 61.9 -83.3 156.9-168.0 10.6 34.8 27.7 28 21 A K E -A 34 0A 129 -2,-0.3 118,-0.2 6,-0.2 2,-0.0 -0.981 33.3-125.7-139.9 142.4 9.9 33.8 24.1 29 22 A S > - 0 0 6 4,-2.6 3,-0.9 -2,-0.3 57,-0.1 -0.246 39.1 -93.7 -83.0 174.1 6.6 33.1 22.3 30 23 A V T 3 S+ 0 0 51 1,-0.2 -1,-0.1 2,-0.1 67,-0.0 0.918 129.7 46.0 -51.2 -46.4 5.8 29.9 20.4 31 24 A L T 3 S- 0 0 98 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.585 125.8-102.0 -79.8 -11.5 7.0 31.7 17.2 32 25 A G S < S+ 0 0 38 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.617 71.6 144.5 107.0 11.1 10.1 33.0 18.9 33 26 A A - 0 0 30 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.544 55.8-102.9 -74.4 152.0 9.1 36.6 19.5 34 27 A P E -A 28 0A 66 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.504 24.2-136.5 -74.9 145.8 10.4 38.2 22.7 35 28 A L E -A 27 0A 0 -8,-2.4 -9,-2.3 -2,-0.1 -8,-0.8 -0.896 32.1-163.7 -99.6 127.1 8.0 38.6 25.6 36 29 A L E +A 25 0A 68 48,-0.5 48,-0.4 -2,-0.5 2,-0.3 -0.928 20.7 179.6-125.4 141.9 8.5 42.0 27.2 37 30 A Y E -A 24 0A 17 -13,-2.2 -13,-3.1 -2,-0.4 45,-0.2 -0.977 24.6-134.7-135.1 154.6 7.7 43.9 30.3 38 31 A F B -B 81 0B 7 43,-3.2 43,-2.0 -2,-0.3 3,-0.1 -0.942 32.1-129.5-106.9 114.0 8.5 47.4 31.4 39 32 A P - 0 0 21 0, 0.0 41,-0.1 0, 0.0 40,-0.1 -0.332 25.1-101.4 -66.3 141.1 9.7 47.3 35.0 40 33 A A - 0 0 14 38,-0.2 38,-0.2 8,-0.2 40,-0.1 -0.239 27.0-156.9 -49.5 146.4 8.2 49.6 37.6 41 34 A Q + 0 0 95 36,-3.0 2,-0.4 33,-0.2 37,-0.2 0.667 69.0 72.6-104.6 -22.1 10.4 52.7 38.2 42 35 A V S S- 0 0 49 35,-2.0 2,-0.4 34,-0.0 34,-0.0 -0.791 78.2-130.6 -96.9 134.7 9.2 53.6 41.8 43 36 A E + 0 0 165 -2,-0.4 2,-0.3 3,-0.0 -2,-0.0 -0.698 48.5 139.7 -72.9 129.9 10.1 51.5 44.8 44 37 A S > - 0 0 36 -2,-0.4 3,-0.7 34,-0.1 -2,-0.0 -0.975 61.7-116.6-168.7 166.2 7.0 50.8 46.9 45 38 A N T 3 S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.633 110.2 54.2 -84.6 -13.9 5.1 48.2 48.8 46 39 A S T 3 + 0 0 28 110,-0.0 -1,-0.2 -3,-0.0 2,-0.1 0.119 69.5 145.4-110.1 24.9 2.2 48.2 46.5 47 40 A R < + 0 0 41 -3,-0.7 110,-2.5 110,-0.1 111,-0.2 -0.361 23.2 163.5 -61.0 127.4 3.9 47.5 43.1 48 41 A G - 0 0 0 108,-0.3 32,-2.5 109,-0.2 2,-0.4 -0.383 34.3 -90.2-129.1-151.4 1.7 45.3 40.9 49 42 A L E -cd 80 159B 3 109,-2.1 111,-2.6 30,-0.2 2,-0.5 -0.993 19.6-164.3-141.6 121.9 1.2 44.2 37.3 50 43 A I E +cd 81 160B 0 30,-3.0 32,-2.7 -2,-0.4 2,-0.3 -0.954 24.1 179.7-107.7 127.6 -0.7 45.8 34.5 51 44 A L E +cd 82 161B 0 109,-3.0 111,-2.8 -2,-0.5 2,-0.3 -0.938 15.2 168.2-137.1 145.8 -1.3 43.5 31.6 52 45 A A E + d 0 162B 0 30,-1.7 33,-1.9 -2,-0.3 34,-0.2 -0.894 52.7 56.3-141.6 176.1 -2.9 43.3 28.2 53 46 A G + 0 0 0 109,-0.6 36,-0.1 5,-0.4 33,-0.1 0.638 49.0 137.6 77.2 15.2 -3.0 41.1 25.1 54 47 A T S S+ 0 0 1 108,-0.4 2,-0.5 1,-0.2 49,-0.4 0.937 82.5 42.5 -49.2 -46.7 -4.0 37.7 26.7 55 48 A H S > S- 0 0 5 3,-0.1 3,-1.8 1,-0.1 40,-0.2 -0.913 89.2-142.1-105.9 126.0 -6.3 37.5 23.6 56 49 A G T 3 S+ 0 0 0 39,-1.6 39,-0.3 38,-0.5 37,-0.2 0.695 95.5 52.0 -69.0 -19.8 -4.4 38.5 20.5 57 50 A D T 3 S+ 0 0 76 36,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.189 83.7 89.9-100.8 13.3 -7.4 40.3 18.8 58 51 A E < + 0 0 14 -3,-1.8 -5,-0.4 36,-0.2 4,-0.3 -0.799 49.6 144.4-106.0 84.0 -8.3 42.5 21.8 59 52 A T > + 0 0 75 -2,-0.9 4,-2.6 2,-0.2 5,-0.2 0.547 43.7 80.4-106.9 -12.8 -6.0 45.3 20.7 60 53 A A H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 99.6 48.1 -64.7 -34.5 -7.8 48.5 21.7 61 54 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.829 108.6 52.5 -75.2 -28.8 -6.5 47.9 25.2 62 55 A I H > S+ 0 0 28 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.942 111.5 46.7 -67.0 -47.4 -3.0 47.3 24.0 63 56 A A H X S+ 0 0 30 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.934 114.5 47.6 -58.4 -44.0 -3.0 50.6 22.1 64 57 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.937 114.5 45.1 -67.3 -44.4 -4.4 52.5 25.1 65 58 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.913 114.8 48.7 -65.4 -44.2 -2.0 51.0 27.6 66 59 A S H X S+ 0 0 14 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.946 112.6 46.9 -62.4 -48.2 1.0 51.6 25.2 67 60 A C H X S+ 0 0 31 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.924 114.1 49.6 -56.9 -41.9 -0.0 55.2 24.5 68 61 A A H >X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.2 3,-1.1 0.943 110.1 50.1 -61.8 -48.7 -0.5 55.7 28.4 69 62 A L H >< S+ 0 0 11 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.908 112.2 46.3 -57.8 -45.8 2.9 54.2 29.1 70 63 A R H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.591 110.7 55.3 -75.4 -10.5 4.6 56.4 26.6 71 64 A S H << S+ 0 0 2 -3,-1.1 -60,-2.7 -4,-0.7 -1,-0.2 0.660 92.7 86.1 -90.1 -18.9 2.7 59.5 27.9 72 65 A L S << S- 0 0 6 -4,-1.1 -62,-0.1 -3,-0.6 5,-0.1 -0.724 89.4-109.8 -90.6 125.6 3.9 59.0 31.6 73 66 A P > - 0 0 20 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.253 35.3-122.0 -49.1 135.5 7.2 60.4 32.8 74 67 A A G > S+ 0 0 21 1,-0.3 3,-1.5 2,-0.2 -33,-0.2 0.853 108.6 56.5 -57.0 -40.6 9.4 57.3 33.3 75 68 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -34,-0.1 -3,-0.0 0.572 97.6 65.1 -71.7 -10.5 10.1 57.9 37.0 76 69 A C G < S+ 0 0 35 -3,-2.0 2,-0.7 -35,-0.0 -1,-0.3 0.532 70.6 115.3 -85.7 -5.9 6.3 58.0 37.8 77 70 A L < + 0 0 0 -3,-1.5 -36,-3.0 -4,-0.3 -35,-2.0 -0.543 34.9 174.1 -75.7 110.3 5.7 54.3 36.8 78 71 A K + 0 0 48 159,-2.2 2,-0.3 -2,-0.7 -30,-0.2 0.653 58.8 47.4 -84.7 -18.4 4.6 52.4 40.0 79 72 A H S S- 0 0 1 158,-0.7 -30,-0.2 -32,-0.2 2,-0.1 -0.876 84.3-102.9-130.3 153.4 3.8 49.0 38.3 80 73 A D E - c 0 49B 1 -32,-2.5 -30,-3.0 -2,-0.3 2,-0.4 -0.470 40.9-153.3 -67.1 146.5 5.2 46.5 35.9 81 74 A V E -Bc 38 50B 0 -43,-2.0 -43,-3.2 -32,-0.2 2,-0.5 -0.995 18.6-173.2-130.9 127.1 3.5 46.7 32.5 82 75 A I E - c 0 51B 0 -32,-2.7 -30,-1.7 -2,-0.4 3,-0.2 -0.978 4.9-168.9-117.2 109.8 3.1 44.0 29.9 83 76 A L S S+ 0 0 25 -2,-0.5 2,-0.3 1,-0.3 -17,-0.1 0.855 80.0 2.4 -65.1 -40.0 1.6 45.6 26.7 84 77 A S - 0 0 19 -48,-0.4 -48,-0.5 -3,-0.1 -1,-0.3 -0.875 50.7-174.4-153.1 125.7 1.0 42.2 25.2 85 78 A X S S+ 0 0 0 -33,-1.9 -32,-0.1 -2,-0.3 62,-0.1 0.412 90.2 49.8 -91.8 -1.3 1.6 38.8 26.7 86 79 A N >> + 0 0 0 -34,-0.2 4,-1.2 -33,-0.1 3,-0.7 -0.468 61.1 162.6-136.5 66.4 0.6 37.1 23.4 87 80 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.803 74.6 56.1 -63.4 -29.9 2.6 38.8 20.6 88 81 A D H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.846 105.5 50.5 -68.6 -37.5 2.0 35.9 18.1 89 82 A A H <4>S+ 0 0 0 -3,-0.7 5,-1.8 2,-0.2 4,-0.5 0.813 107.2 55.9 -72.0 -27.4 -1.7 36.2 18.4 90 83 A N H ><5S+ 0 0 50 -4,-1.2 3,-1.2 2,-0.2 -2,-0.2 0.971 111.7 41.2 -67.1 -49.1 -1.4 39.9 17.8 91 84 A Q H 3<5S+ 0 0 144 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.827 117.1 50.1 -72.4 -22.9 0.5 39.4 14.4 92 85 A L T 3<5S- 0 0 81 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.530 104.2-130.8 -86.0 -3.2 -1.9 36.5 13.5 93 86 A G T < 5 + 0 0 55 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.811 63.6 132.4 57.5 30.2 -5.0 38.6 14.3 94 87 A T < - 0 0 45 -5,-1.8 -38,-0.5 2,-0.2 -1,-0.2 -0.840 65.5-137.8-112.6 153.1 -6.3 35.7 16.5 95 88 A R S S+ 0 0 50 -2,-0.3 -39,-1.6 -39,-0.3 8,-0.3 0.968 92.5 58.7 -60.9 -52.6 -7.8 35.3 20.0 96 89 A A S S- 0 0 7 -41,-0.2 6,-0.3 1,-0.1 -2,-0.2 -0.287 92.2-104.2 -76.0 158.7 -5.7 32.1 20.6 97 90 A N > - 0 0 0 4,-2.9 3,-2.1 1,-0.1 -1,-0.1 -0.025 52.4 -76.9 -69.6-171.8 -1.9 31.8 20.5 98 91 A A T 3 S+ 0 0 17 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.595 133.0 53.8 -70.4 -16.5 0.1 30.2 17.6 99 92 A N T 3 S- 0 0 72 2,-0.2 -1,-0.3 34,-0.0 36,-0.1 0.130 122.0-106.6 -97.1 14.7 -0.9 26.6 18.7 100 93 A Q S < S+ 0 0 105 -3,-2.1 33,-2.3 1,-0.2 2,-0.5 0.797 73.7 147.1 66.3 29.7 -4.6 27.6 18.7 101 94 A V B -h 133 0C 5 31,-0.2 -4,-2.9 33,-0.1 2,-0.7 -0.877 50.7-135.5-100.5 123.1 -4.6 27.7 22.5 102 95 A D > - 0 0 3 31,-2.3 3,-2.0 -2,-0.5 -6,-0.1 -0.677 16.1-153.2 -68.7 112.9 -6.8 30.2 24.3 103 96 A L G > S+ 0 0 0 -2,-0.7 3,-1.1 -49,-0.4 4,-0.3 0.784 91.3 62.5 -69.1 -25.5 -4.4 31.5 26.9 104 97 A N G 3 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.1 98,-0.1 0.213 108.3 43.2 -77.9 10.0 -7.2 32.4 29.3 105 98 A R G < S+ 0 0 42 -3,-2.0 95,-0.3 95,-0.1 -1,-0.2 0.085 104.6 72.0-127.0 13.8 -8.1 28.6 29.4 106 99 A A < + 0 0 6 -3,-1.1 35,-0.3 93,-0.6 94,-0.2 0.403 59.2 112.8-119.5 0.0 -4.5 27.5 29.7 107 100 A F S S- 0 0 0 92,-2.6 2,-2.1 -4,-0.3 92,-0.2 -0.495 77.7-110.7 -68.9 146.8 -3.3 28.4 33.2 108 101 A P + 0 0 50 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.533 55.2 165.4 -81.3 77.1 -2.5 25.3 35.3 109 102 A T > - 0 0 8 -2,-2.1 3,-1.7 1,-0.1 95,-0.1 -0.526 52.2-103.6 -86.2 162.9 -5.5 25.8 37.7 110 103 A Q T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.2 94,-0.0 0.887 122.9 42.1 -49.3 -42.2 -6.6 22.9 40.1 111 104 A N T 3 S+ 0 0 65 86,-0.1 -1,-0.3 85,-0.1 2,-0.0 0.298 83.6 134.8 -95.8 10.7 -9.5 22.1 37.9 112 105 A W < - 0 0 50 -3,-1.7 2,-0.3 85,-0.1 -6,-0.1 -0.329 31.9-174.0 -56.8 135.8 -7.7 22.5 34.5 113 106 A T - 0 0 72 2,-0.2 -4,-0.1 1,-0.0 -2,-0.0 -0.864 34.4-121.0-130.0 167.1 -8.5 19.7 31.9 114 107 A E S S+ 0 0 85 -2,-0.3 20,-0.4 19,-0.0 21,-0.2 0.613 75.9 109.3 -80.2 -13.5 -7.3 18.8 28.5 115 108 A H - 0 0 142 19,-0.1 -2,-0.2 18,-0.1 0, 0.0 -0.314 69.8-119.8 -63.2 141.4 -10.7 19.0 26.7 116 109 A G - 0 0 55 17,-0.1 17,-0.2 1,-0.1 2,-0.2 -0.218 26.3-158.8 -76.9 176.7 -11.1 22.0 24.3 117 110 A T E -I 132 0D 45 15,-2.3 15,-2.0 13,-0.1 2,-0.3 -0.583 13.4-112.6-136.3-161.4 -13.8 24.7 24.7 118 111 A V E -I 131 0D 42 13,-0.2 2,-0.2 -2,-0.2 13,-0.2 -0.995 17.9-160.7-142.7 145.2 -15.5 27.3 22.5 119 112 A Y E -I 130 0D 43 11,-2.1 11,-2.5 -2,-0.3 10,-1.2 -0.708 34.9 -90.6-118.4 172.3 -15.4 31.1 22.3 120 113 A R - 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0 0 0 -3,-1.7 4,-2.4 -95,-0.3 -1,-0.2 -0.366 59.2-127.6 -66.3 150.2 -8.6 31.2 33.4 201 194 A F H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.860 111.3 54.2 -67.2 -37.8 -6.0 33.7 34.7 202 195 A G H > S+ 0 0 7 2,-0.2 4,-2.6 -8,-0.2 -1,-0.2 0.932 108.6 48.2 -62.8 -46.1 -8.6 34.9 37.3 203 196 A T H > S+ 0 0 9 -9,-0.5 4,-2.4 -6,-0.2 -2,-0.2 0.962 112.9 49.4 -53.7 -52.6 -9.1 31.3 38.6 204 197 A W H X S+ 0 0 3 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.906 112.2 47.1 -54.4 -48.5 -5.3 30.9 38.7 205 198 A a H ><>S+ 0 0 0 -4,-2.8 5,-3.2 2,-0.2 3,-0.9 0.911 108.8 54.0 -60.5 -46.8 -4.8 34.1 40.6 206 199 A N H ><5S+ 0 0 61 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.935 103.2 57.7 -55.2 -41.8 -7.7 33.3 43.2 207 200 A E H 3<5S+ 0 0 67 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.784 112.0 41.5 -61.3 -26.1 -6.0 30.0 44.0 208 201 A R T <<5S- 0 0 103 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.283 113.9-116.5-102.6 6.1 -2.8 32.0 44.9 209 202 A Q T < 5 + 0 0 166 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.731 64.6 150.4 70.2 20.0 -4.8 34.7 46.7 210 203 A L < - 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0 0 30 -2,-1.6 -160,-0.1 1,-0.0 -3,-0.1 -0.913 48.5-109.0-127.2 151.5 -14.4 50.4 20.8 221 214 A S > - 0 0 67 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.301 29.9-113.2 -72.8 166.8 -11.7 51.3 18.3 222 215 A A H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.863 117.8 56.5 -61.1 -42.2 -8.1 52.0 19.4 223 216 A D H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 109.4 43.8 -57.1 -48.8 -8.6 55.7 18.3 224 217 A L H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.907 110.6 57.1 -65.8 -38.3 -11.7 56.1 20.6 225 218 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.937 109.4 44.6 -54.4 -48.5 -9.8 54.3 23.4 226 219 A I H X S+ 0 0 49 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.908 118.5 43.8 -61.6 -45.8 -6.9 56.9 23.2 227 220 A E H < S+ 0 0 146 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.799 125.6 29.4 -76.8 -29.1 -9.4 59.8 23.0 228 221 A K H < S+ 0 0 126 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.788 131.9 24.9 -99.6 -32.2 -11.8 58.7 25.7 229 222 A H H >X S+ 0 0 12 -4,-2.5 4,-1.8 -5,-0.5 3,-0.6 0.419 78.9 107.2-122.0 6.1 -9.7 56.7 28.1 230 223 A L H 3X S+ 0 0 23 -4,-1.0 4,-2.6 -5,-0.3 5,-0.2 0.889 85.9 50.2 -50.8 -43.5 -6.0 57.7 28.0 231 224 A D H 3> S+ 0 0 100 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.840 105.6 57.1 -66.8 -32.1 -6.2 59.5 31.3 232 225 A A H <> S+ 0 0 6 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.935 111.0 42.8 -69.4 -43.1 -7.7 56.4 33.0 233 226 A F H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.908 114.2 50.0 -63.3 -48.2 -4.8 54.3 31.9 234 227 A I H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.946 110.7 50.8 -54.8 -50.1 -2.2 56.9 32.8 235 228 A A H >< S+ 0 0 15 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.944 108.9 52.5 -49.4 -50.3 -3.9 57.3 36.3 236 229 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.870 101.8 58.5 -57.8 -41.5 -3.7 53.5 36.8 237 230 A L H 3< S+ 0 0 0 -4,-2.0 -159,-2.2 1,-0.3 -158,-0.7 0.724 116.9 33.9 -61.1 -22.3 0.0 53.4 36.0 238 231 A Q T << S+ 0 0 54 -3,-1.5 2,-0.3 -4,-0.9 -1,-0.3 0.114 94.7 126.0-110.9 9.8 0.6 55.8 38.9 239 232 A H < - 0 0 44 -3,-1.6 -3,-0.0 -5,-0.1 -4,-0.0 -0.616 48.1-151.3 -91.9 136.6 -2.1 54.5 41.2 240 233 A D 0 0 74 -2,-0.3 -193,-0.1 1,-0.2 -2,-0.0 -0.923 360.0 360.0 -95.1 122.1 -1.7 53.4 44.7 241 234 A P 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -65,-0.1 0.834 360.0 360.0 -98.9 360.0 -4.2 50.8 45.7