==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-NOV-12 4I72 . COMPND 2 MOLECULE: INOSINE-ADENOSINE-GUANOSINE-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR F.GIANNESE,M.DEGANO . 656 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.0 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 . 60 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 10 1 2 0 2 0 4 8 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 4 2 0 2 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 . 4 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 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 -2 A G 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.5 -5.9 66.5 0.4 2 -1 A S + 0 0 113 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.163 360.0 78.5 173.1 -32.3 -5.6 63.4 2.6 3 0 A H S S+ 0 0 140 2,-0.1 2,-0.6 28,-0.0 0, 0.0 0.466 75.2 85.4 -75.8 -9.2 -8.0 61.0 0.8 4 1 A M S S- 0 0 146 27,-0.0 2,-0.1 0, 0.0 26,-0.1 -0.900 78.9-132.6-100.1 121.3 -5.5 60.1 -2.0 5 2 A A - 0 0 35 -2,-0.6 27,-0.3 24,-0.1 2,-0.2 -0.411 22.5-112.2 -67.9 147.9 -3.2 57.3 -1.1 6 3 A K E -a 32 0A 71 25,-2.7 27,-3.3 265,-0.1 2,-0.6 -0.490 25.0-119.1 -75.6 148.0 0.6 57.7 -1.8 7 4 A T E -ab 33 135A 14 127,-0.5 129,-3.1 25,-0.2 2,-0.4 -0.825 43.0-178.0 -92.3 119.9 2.2 55.5 -4.4 8 5 A V E -ab 34 136A 0 25,-2.2 27,-2.8 -2,-0.6 28,-0.7 -0.931 25.1-169.0-127.4 139.8 4.9 53.5 -2.7 9 6 A I E -ab 36 137A 0 127,-1.9 129,-3.0 -2,-0.4 2,-0.6 -0.996 19.3-144.2-118.7 134.0 7.6 51.0 -3.6 10 7 A L E -ab 37 138A 0 26,-2.1 28,-2.5 -2,-0.4 2,-0.7 -0.900 11.5-169.7-100.1 120.4 9.4 49.1 -0.8 11 8 A D E +ab 38 139A 0 127,-3.3 129,-2.9 -2,-0.6 130,-1.0 -0.937 31.3 157.3-110.8 101.9 13.1 48.5 -1.6 12 9 A H E -a 39 0A 0 26,-2.9 28,-1.8 -2,-0.7 129,-0.1 -0.756 50.2-137.6-131.0 171.4 14.1 46.1 1.2 13 10 A D - 0 0 0 26,-0.2 26,-0.1 -2,-0.2 36,-0.1 0.095 51.1-108.2-127.3 26.7 16.6 43.4 2.3 14 11 A G + 0 0 0 1,-0.2 76,-0.2 35,-0.1 31,-0.2 0.673 65.7 132.6 77.6 24.3 14.4 40.8 4.0 15 12 A N S > S- 0 0 3 74,-0.1 4,-1.7 29,-0.1 -1,-0.2 -0.431 72.1 -90.5-100.1-176.8 15.0 40.9 7.8 16 13 A K H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.905 127.2 46.2 -65.1 -42.3 12.3 41.0 10.5 17 14 A D H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 106.9 59.5 -69.5 -32.0 12.1 44.7 10.6 18 15 A D H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 109.5 44.5 -59.3 -39.5 12.0 44.9 6.8 19 16 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.848 108.2 53.7 -78.4 -31.5 8.8 42.8 6.9 20 17 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.929 110.6 51.3 -63.9 -41.3 7.2 44.7 9.8 21 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 109.1 48.8 -52.4 -51.5 7.8 47.7 7.5 22 19 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.921 112.3 50.1 -60.4 -43.1 6.1 45.9 4.6 23 20 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.879 107.1 51.8 -62.3 -43.6 3.2 45.0 6.8 24 21 A L H < S+ 0 0 0 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.926 115.4 43.8 -61.9 -41.2 2.7 48.6 8.1 25 22 A L H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 7,-0.2 0.948 117.0 42.6 -64.8 -51.5 2.6 49.8 4.5 26 23 A L H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.753 106.8 61.6 -74.2 -25.4 0.3 47.1 3.0 27 24 A S T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.533 100.7 57.1 -78.1 -3.1 -2.1 47.0 6.0 28 25 A N X> + 0 0 30 -3,-1.2 4,-2.3 -4,-0.2 3,-1.6 -0.468 56.1 160.0-128.0 59.4 -3.1 50.7 5.4 29 26 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.787 72.5 66.6 -56.1 -26.8 -4.4 51.0 1.7 30 27 A K T 34 S+ 0 0 187 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.877 116.5 26.4 -59.4 -35.7 -6.2 54.3 2.6 31 28 A K T <4 S+ 0 0 76 -3,-1.6 -25,-2.7 1,-0.2 2,-0.4 0.771 128.1 39.0 -96.2 -32.0 -2.8 55.9 3.1 32 29 A V E < -a 6 0A 5 -4,-2.3 2,-0.8 -27,-0.3 -1,-0.2 -0.980 50.3-164.1-137.0 128.0 -0.5 53.7 0.8 33 30 A N E -a 7 0A 66 -27,-3.3 -25,-2.2 -2,-0.4 2,-0.7 -0.905 23.8-153.4-103.9 98.4 -0.8 52.1 -2.6 34 31 A L E +a 8 0A 6 -2,-0.8 -25,-0.2 -27,-0.2 3,-0.1 -0.669 20.4 173.3 -81.6 113.3 2.0 49.6 -2.6 35 32 A I E - 0 0 33 -27,-2.8 2,-0.3 -2,-0.7 -26,-0.2 0.518 57.6 -10.4-103.5 -6.6 3.0 49.1 -6.2 36 33 A G E -a 9 0A 0 -28,-0.7 -26,-2.1 33,-0.2 2,-0.3 -0.947 49.7-143.4-177.5 159.3 6.1 46.9 -5.9 37 34 A C E -ac 10 71A 0 33,-1.3 35,-2.0 -2,-0.3 2,-0.4 -0.998 9.6-161.0-133.9 140.2 8.8 45.4 -3.7 38 35 A I E -ac 11 72A 0 -28,-2.5 -26,-2.9 -2,-0.3 2,-0.4 -0.926 8.4-157.8-113.1 143.4 12.5 44.9 -4.4 39 36 A C E -ac 12 73A 0 33,-2.1 35,-2.7 -2,-0.4 2,-0.4 -0.990 4.2-161.1-125.8 131.4 14.5 42.4 -2.3 40 37 A T - 0 0 1 -28,-1.8 2,-2.4 -2,-0.4 3,-0.2 -0.884 28.3-120.5-114.0 145.2 18.3 42.6 -2.0 41 38 A D S S+ 0 0 59 35,-0.4 37,-0.2 -2,-0.4 -28,-0.1 -0.269 85.7 97.5 -77.8 52.1 20.6 39.8 -0.9 42 39 A A S S+ 0 0 0 -2,-2.4 40,-0.3 -30,-0.1 -1,-0.1 0.724 90.6 13.7-106.8 -87.1 22.0 41.9 2.0 43 40 A D S S+ 0 0 13 -3,-0.2 2,-0.3 38,-0.1 47,-0.2 0.110 135.2 32.0 -82.1 26.7 20.4 41.3 5.5 44 41 A C S S- 0 0 0 -4,-0.1 2,-0.5 45,-0.1 44,-0.2 -0.942 94.1 -94.6-153.9 175.1 18.8 38.1 4.1 45 42 A F >> - 0 0 57 42,-0.8 4,-2.1 -2,-0.3 3,-1.2 -0.921 46.2-131.8 -91.2 125.3 19.4 35.3 1.6 46 43 A V H 3> S+ 0 0 30 -2,-0.5 4,-2.8 1,-0.3 5,-0.2 0.807 100.8 58.2 -60.0 -34.1 17.5 36.7 -1.4 47 44 A E H 3> S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.896 111.2 44.1 -63.8 -34.9 15.6 33.6 -2.2 48 45 A N H <> S+ 0 0 22 -3,-1.2 4,-2.4 2,-0.2 5,-0.2 0.931 112.6 50.9 -73.6 -46.2 14.1 33.6 1.3 49 46 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.912 110.5 51.0 -55.7 -42.7 13.4 37.3 1.3 50 47 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.944 110.6 47.4 -58.0 -53.1 11.6 36.9 -2.1 51 48 A D H X S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.877 112.2 49.3 -58.5 -43.3 9.4 34.1 -0.9 52 49 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.920 109.6 51.8 -68.5 -40.3 8.4 35.9 2.3 53 50 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.942 112.2 47.4 -56.1 -46.9 7.6 39.1 0.4 54 51 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.902 111.8 47.5 -63.0 -42.7 5.4 37.1 -1.9 55 52 A K H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.841 111.8 50.1 -77.9 -30.7 3.5 35.2 0.7 56 53 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.909 111.7 49.4 -65.2 -45.7 2.8 38.4 2.8 57 54 A M H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.949 113.9 46.5 -57.7 -46.7 1.5 40.0 -0.4 58 55 A C H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.879 110.4 52.1 -65.1 -39.8 -0.7 37.0 -1.0 59 56 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 112.7 44.3 -62.5 -44.3 -1.9 36.8 2.6 60 57 A M H X>S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 6,-0.8 0.873 110.8 54.7 -69.9 -38.8 -3.0 40.5 2.6 61 58 A H H X5S+ 0 0 62 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.928 112.2 44.5 -59.2 -42.9 -4.6 40.2 -0.8 62 59 A R H <5S+ 0 0 70 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 121.4 37.6 -65.0 -42.8 -6.7 37.3 0.5 63 60 A L H <5S+ 0 0 68 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.904 138.5 7.6 -85.0 -45.1 -7.7 38.9 3.7 64 61 A I H <5S- 0 0 51 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.319 93.8-117.4-120.9 10.5 -8.2 42.7 2.8 65 62 A K << + 0 0 170 -4,-1.2 -4,-0.2 -5,-0.7 -3,-0.1 0.772 49.9 165.1 56.8 31.6 -8.0 42.7 -1.1 66 63 A T - 0 0 4 -6,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.494 47.9 -90.8 -60.4 144.6 -4.9 44.9 -1.3 67 64 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.195 31.2-119.1 -58.3 151.8 -3.5 44.6 -4.8 68 65 A L - 0 0 62 -3,-0.1 -10,-0.0 -7,-0.1 -11,-0.0 -0.357 38.9-174.5 -69.4 167.5 -1.0 42.1 -6.0 69 66 A F - 0 0 13 -2,-0.1 -33,-0.2 -32,-0.0 -34,-0.1 -0.983 29.7 -82.3-165.3 154.0 2.2 43.7 -7.3 70 67 A P - 0 0 39 0, 0.0 -33,-1.3 0, 0.0 2,-0.3 -0.418 39.2-167.8 -63.8 150.0 5.5 42.9 -9.0 71 68 A I E -c 37 0A 0 -35,-0.2 2,-0.4 41,-0.1 47,-0.3 -0.991 6.0-170.2-139.5 131.5 8.3 41.7 -6.8 72 69 A G E -c 38 0A 0 -35,-2.0 -33,-2.1 -2,-0.3 2,-0.6 -0.985 22.9-130.9-139.5 136.8 11.9 41.5 -7.9 73 70 A K E -c 39 0A 42 45,-0.4 47,-2.2 -2,-0.4 48,-0.2 -0.647 28.9-137.2 -76.4 113.7 15.2 40.1 -6.7 74 71 A S - 0 0 7 -35,-2.7 -33,-0.3 -2,-0.6 -28,-0.1 -0.394 2.9-148.2 -63.9 149.3 18.0 42.6 -7.0 75 72 A T + 0 0 90 -35,-0.1 -1,-0.1 -2,-0.1 -35,-0.1 0.324 52.8 134.6-101.3 5.2 21.3 41.3 -8.3 76 73 A A - 0 0 16 1,-0.0 -35,-0.4 0, 0.0 2,-0.3 -0.258 43.2-150.9 -49.4 136.1 23.3 43.9 -6.2 77 74 A T - 0 0 115 -37,-0.1 2,-0.1 67,-0.0 3,-0.1 -0.881 18.2 -96.9-115.7 152.9 26.2 42.3 -4.4 78 75 A A - 0 0 44 -2,-0.3 3,-0.2 -37,-0.2 115,-0.2 -0.357 19.4-172.0 -69.8 138.3 27.9 43.2 -1.1 79 76 A V S S+ 0 0 63 113,-2.3 2,-0.4 1,-0.3 114,-0.2 0.873 100.3 9.3 -75.5 -54.9 31.0 45.3 -0.6 80 77 A N S S- 0 0 32 112,-1.5 -1,-0.3 111,-0.2 0, 0.0 -0.940 92.2-140.1-128.6 109.2 30.7 44.3 3.1 81 78 A A - 0 0 54 -2,-0.4 3,-0.1 -3,-0.2 -39,-0.1 -0.193 19.9-104.7 -71.6 153.9 28.2 41.6 3.8 82 79 A F - 0 0 8 -40,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.360 55.7 -77.6 -63.0 156.4 25.9 41.4 6.8 83 80 A P >> - 0 0 30 0, 0.0 4,-1.0 0, 0.0 3,-0.6 -0.374 43.4-130.6 -57.0 132.0 26.8 39.0 9.5 84 81 A T H >> S+ 0 0 64 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.874 103.9 60.2 -57.6 -40.3 25.7 35.5 8.2 85 82 A E H >4 S+ 0 0 115 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.902 104.2 49.7 -57.8 -40.8 23.8 34.6 11.3 86 83 A W H X4 S+ 0 0 73 -3,-0.6 3,-1.3 1,-0.2 -1,-0.3 0.791 100.6 67.1 -66.2 -29.8 21.5 37.7 11.0 87 84 A R H X< S+ 0 0 28 -4,-1.0 -42,-0.8 -3,-0.7 3,-0.6 0.594 83.4 71.2 -73.8 -14.0 20.7 36.8 7.4 88 85 A F T XX + 0 0 6 -3,-1.1 4,-1.7 -4,-0.5 3,-1.5 0.598 67.8 96.9 -80.7 -9.6 18.9 33.6 8.1 89 86 A S H <> S+ 0 0 7 -3,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.844 81.1 52.9 -49.3 -40.5 15.8 35.4 9.6 90 87 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 -76,-0.2 -1,-0.3 0.790 105.1 55.5 -72.8 -23.4 13.8 35.2 6.3 91 88 A K H <> S+ 0 0 37 -3,-1.5 4,-1.2 -4,-0.2 -1,-0.2 0.950 108.5 47.9 -68.2 -46.7 14.4 31.5 6.2 92 89 A N H < S+ 0 0 12 -4,-1.7 3,-0.3 1,-0.2 4,-0.2 0.898 114.0 47.4 -57.8 -39.9 12.9 31.2 9.7 93 90 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.872 105.2 58.3 -70.1 -36.5 9.9 33.3 8.6 94 91 A D H 3< S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 109.1 47.1 -61.4 -30.2 9.5 31.4 5.4 95 92 A D T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.397 85.9 116.5 -90.4 -3.3 9.0 28.3 7.6 96 93 A M S X S- 0 0 0 -3,-1.4 3,-1.5 -4,-0.2 477,-0.1 -0.421 70.4-126.7 -71.7 145.6 6.5 29.9 10.0 97 94 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 466,-0.2 0.863 109.5 57.7 -61.7 -34.2 3.0 28.5 10.2 98 95 A F G 3 S+ 0 0 2 1,-0.3 3,-0.3 2,-0.2 142,-0.1 0.684 108.4 49.1 -70.0 -15.4 1.3 31.9 9.7 99 96 A L G < S+ 0 0 1 -3,-1.5 -1,-0.3 -6,-0.2 -3,-0.1 0.070 105.6 59.6-108.2 22.2 3.3 32.1 6.4 100 97 A N < + 0 0 9 -3,-1.7 2,-0.2 460,-0.1 -2,-0.2 0.035 61.3 146.3-137.5 30.2 2.3 28.6 5.2 101 98 A I > - 0 0 36 -3,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.498 56.3-123.3 -64.0 129.1 -1.5 28.9 5.0 102 99 A V H > S+ 0 0 93 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.868 106.9 51.4 -46.0 -49.3 -2.4 26.6 2.1 103 100 A E H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 113.4 44.9 -60.4 -42.7 -4.3 29.3 0.1 104 101 A D H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.898 112.9 49.5 -71.5 -40.7 -1.4 31.8 0.3 105 102 A V H X S+ 0 0 38 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 112.1 50.1 -62.0 -42.0 1.3 29.2 -0.5 106 103 A A H X S+ 0 0 59 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.915 112.0 46.7 -64.5 -43.0 -0.9 28.1 -3.6 107 104 A L H X S+ 0 0 43 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.910 111.5 51.4 -65.2 -42.4 -1.3 31.7 -4.8 108 105 A W H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.854 106.1 53.0 -66.8 -35.7 2.4 32.5 -4.4 109 106 A E H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.8 53.1 -66.6 -26.9 3.5 29.4 -6.4 110 107 A K H < S+ 0 0 166 -4,-1.2 4,-0.3 -3,-0.3 -2,-0.2 0.812 118.3 34.3 -71.4 -33.7 1.1 30.6 -9.2 111 108 A L H X S+ 0 0 26 -4,-1.3 4,-1.5 1,-0.1 -2,-0.2 0.637 97.2 84.2 -97.2 -19.3 2.8 34.1 -9.2 112 109 A K H X S+ 0 0 31 -4,-2.2 4,-2.8 1,-0.2 3,-0.2 0.892 84.9 54.6 -57.6 -46.1 6.4 33.2 -8.4 113 110 A P H > S+ 0 0 85 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.923 109.7 47.3 -57.7 -46.5 7.6 32.3 -12.0 114 111 A E H 4 S+ 0 0 138 -4,-0.3 3,-0.3 1,-0.2 4,-0.2 0.818 116.2 44.6 -58.5 -38.7 6.5 35.7 -13.4 115 112 A N H >< S+ 0 0 7 -4,-1.5 3,-1.4 -3,-0.2 -42,-0.3 0.832 103.7 65.5 -76.1 -30.5 8.2 37.5 -10.5 116 113 A E H 3< S+ 0 0 78 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.699 94.7 59.0 -63.0 -25.0 11.3 35.4 -10.9 117 114 A A T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.630 86.7 100.8 -78.6 -17.3 12.0 36.8 -14.3 118 115 A H < - 0 0 57 -3,-1.4 2,-0.5 -47,-0.3 -45,-0.4 -0.391 67.5-139.9 -71.4 143.4 12.2 40.4 -12.9 119 116 A N > - 0 0 52 1,-0.1 4,-3.1 -47,-0.1 -45,-0.2 -0.947 16.5-137.8 -98.1 126.3 15.5 42.0 -12.3 120 117 A G H > S+ 0 0 0 -47,-2.2 4,-2.2 -2,-0.5 -46,-0.3 0.859 99.5 43.8 -51.7 -47.7 15.2 44.0 -9.0 121 118 A Q H > S+ 0 0 12 -48,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 115.9 47.6 -66.2 -47.2 17.1 47.1 -10.2 122 119 A Q H > S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.916 110.8 52.9 -60.6 -41.8 15.3 47.2 -13.5 123 120 A L H X S+ 0 0 11 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.913 106.9 52.1 -61.0 -46.5 11.9 46.7 -11.8 124 121 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.944 113.4 43.9 -54.2 -52.4 12.6 49.6 -9.5 125 122 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.969 114.1 50.1 -58.3 -50.7 13.4 51.9 -12.4 126 123 A D H X S+ 0 0 48 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.895 110.8 48.1 -54.3 -46.1 10.4 50.7 -14.5 127 124 A L H X S+ 0 0 30 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.868 114.3 45.6 -67.0 -38.9 7.8 51.1 -11.8 128 125 A V H < S+ 0 0 0 -4,-1.7 3,-0.5 -5,-0.3 -2,-0.2 0.949 115.8 45.5 -69.7 -49.0 8.9 54.6 -10.9 129 126 A M H < S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.2 45.9 -64.3 -33.5 9.1 55.8 -14.6 130 127 A K H < S+ 0 0 161 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.631 86.7 111.7 -88.0 -10.3 5.8 54.2 -15.5 131 128 A S < - 0 0 20 -4,-0.9 4,-0.1 -3,-0.5 -3,-0.0 -0.250 60.6-147.3 -64.2 148.0 3.8 55.5 -12.5 132 129 A K S S+ 0 0 202 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.910 88.4 45.8 -81.3 -42.8 1.1 58.1 -13.1 133 130 A E S S- 0 0 117 1,-0.1 2,-0.2 -3,-0.0 29,-0.1 -0.532 105.4 -91.8 -85.6 160.7 1.8 59.7 -9.7 134 131 A K - 0 0 113 -2,-0.2 -127,-0.5 27,-0.1 2,-0.4 -0.538 48.6-123.1 -71.6 142.3 5.3 60.4 -8.3 135 132 A V E -bd 7 161A 0 25,-3.1 27,-1.5 -2,-0.2 2,-0.6 -0.763 9.3-147.4-102.7 129.2 6.6 57.5 -6.3 136 133 A T E -b 8 0A 5 -129,-3.1 -127,-1.9 -2,-0.4 2,-0.6 -0.832 21.5-155.0 -85.3 116.5 7.7 57.5 -2.6 137 134 A V E -bd 9 164A 0 26,-1.7 28,-2.0 -2,-0.6 2,-0.6 -0.896 1.5-155.7 -99.0 115.2 10.5 54.8 -2.5 138 135 A C E -bd 10 165A 0 -129,-3.0 -127,-3.3 -2,-0.6 2,-0.6 -0.858 10.9-165.3 -87.2 119.2 10.9 53.3 1.0 139 136 A V E +bd 11 166A 0 26,-3.0 28,-2.7 -2,-0.6 -127,-0.2 -0.935 25.3 156.4-111.5 118.8 14.4 52.0 1.3 140 137 A T + 0 0 0 -129,-2.9 -128,-0.2 -2,-0.6 -127,-0.2 0.380 66.0 48.5-121.8 -1.6 15.1 49.6 4.2 141 138 A G S S- 0 0 1 -130,-1.0 26,-0.2 1,-0.4 -130,-0.1 -0.334 109.9 -43.6-111.2-159.2 18.1 47.8 2.8 142 139 A P - 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.4 -0.149 51.4-115.5 -68.4 170.1 21.2 49.2 1.2 143 140 A L S > S+ 0 0 3 46,-0.4 4,-2.2 50,-0.3 5,-0.2 0.285 82.5 110.3 -93.9 8.5 21.1 52.0 -1.4 144 141 A S H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.808 78.2 46.8 -53.7 -39.0 22.5 49.9 -4.2 145 142 A N H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.850 111.8 48.9 -79.4 -36.4 19.2 49.8 -6.2 146 143 A M H > S+ 0 0 0 -4,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 111.5 50.8 -64.4 -38.6 18.5 53.5 -5.9 147 144 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 108.6 52.0 -68.1 -42.6 22.1 54.2 -7.0 148 145 A W H X S+ 0 0 80 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.949 112.2 45.4 -57.9 -49.7 21.7 51.9 -10.1 149 146 A C H X>S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.5 0.947 113.6 48.3 -60.7 -49.9 18.5 53.6 -11.2 150 147 A I H X5S+ 0 0 16 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.900 115.1 46.8 -55.8 -43.0 19.8 57.2 -10.7 151 148 A E H <5S+ 0 0 138 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.918 117.4 40.3 -66.4 -45.3 23.0 56.3 -12.6 152 149 A K H <5S+ 0 0 109 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.806 130.6 20.4 -78.1 -33.1 21.3 54.6 -15.5 153 150 A Y H ><5S- 0 0 61 -4,-2.6 3,-1.6 -5,-0.2 4,-0.2 0.556 78.8-173.3-118.4 -11.5 18.3 56.9 -16.1 154 151 A G T >X S+ 0 0 123 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.681 124.3 72.5 -61.1 -27.8 16.2 62.8 -14.6 156 153 A A H <4 S+ 0 0 46 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.885 114.8 24.4 -53.1 -41.5 14.0 60.2 -16.4 157 154 A F H X4 S+ 0 0 0 -3,-1.3 3,-2.3 -4,-0.2 4,-0.5 0.918 121.5 52.5 -86.0 -57.1 14.0 58.4 -13.0 158 155 A T H >< S+ 0 0 5 -4,-2.5 3,-1.1 1,-0.3 -3,-0.2 0.790 102.7 58.8 -61.0 -33.5 14.6 61.1 -10.4 159 156 A S T 3< S+ 0 0 50 -4,-2.0 -1,-0.3 1,-0.2 -3,-0.1 0.643 103.3 55.4 -70.2 -12.8 11.8 63.4 -11.7 160 157 A K T < S+ 0 0 41 -3,-2.3 -25,-3.1 -5,-0.2 2,-0.5 0.498 88.1 94.7 -96.9 -7.5 9.4 60.5 -11.0 161 158 A V E < -d 135 0A 10 -3,-1.1 46,-0.2 -4,-0.5 -25,-0.2 -0.748 52.9-167.7 -85.7 120.6 10.4 60.2 -7.3 162 159 A E E S- 0 0 98 -27,-1.5 2,-0.3 -2,-0.5 45,-0.3 0.986 74.3 -42.7 -63.2 -61.9 8.2 62.1 -4.7 163 160 A E E - 0 0 17 -28,-0.5 -26,-1.7 43,-0.1 2,-0.6 -0.949 51.5-119.8-160.8 158.6 10.9 61.4 -2.1 164 161 A C E -de 137 208A 0 43,-3.1 45,-2.8 -2,-0.3 2,-0.6 -0.962 21.4-159.5-105.8 115.1 13.1 58.5 -1.0 165 162 A V E -de 138 209A 0 -28,-2.0 -26,-3.0 -2,-0.6 2,-0.4 -0.896 23.9-173.5 -97.7 110.7 12.4 57.5 2.7 166 163 A I E -de 139 210A 0 43,-3.0 45,-3.4 -2,-0.6 2,-0.7 -0.896 30.0-145.7-123.8 133.7 15.6 55.7 3.8 167 164 A M E + e 0 211A 2 -28,-2.7 2,-0.3 -2,-0.4 45,-0.2 -0.876 59.5 98.3 -92.5 115.0 16.7 53.7 6.8 168 165 A G + 0 0 0 43,-1.9 -2,-0.1 -2,-0.7 20,-0.1 -0.884 44.0 33.9 174.9 158.6 20.4 54.4 7.1 169 166 A G - 0 0 0 -2,-0.3 44,-2.1 43,-0.2 2,-0.3 -0.010 51.7-119.1 84.2 175.3 23.3 56.2 8.6 170 167 A A + 0 0 3 42,-0.2 127,-0.6 127,-0.2 -1,-0.1 -0.840 27.8 175.8-159.4 117.5 24.2 57.7 12.0 171 168 A V S S+ 0 0 15 -2,-0.3 128,-0.4 3,-0.1 -1,-0.1 0.939 77.0 6.0 -99.4 -62.3 24.8 61.4 12.2 172 169 A D S S+ 0 0 84 126,-0.1 2,-0.3 2,-0.1 -1,-0.0 0.198 123.9 61.1-111.4 11.4 25.4 62.6 15.7 173 170 A V S S- 0 0 57 1,-0.1 41,-0.1 12,-0.1 40,-0.1 -0.827 93.3 -82.7-126.3 170.7 25.4 59.2 17.4 174 171 A G - 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