==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-AUG-11 3T8J . COMPND 2 MOLECULE: PURINE NUCLEOSIDASE, (IUNH-1); . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR C.MINICI,G.CACCIAPUOTI,E.DE LEO,M.PORCELLI,M.DEGANO . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 1 0 0 1 2 1 1 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 1 A M 0 0 143 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 139.0 -2.9 79.4 -13.7 2 2 A R - 0 0 76 23,-0.2 25,-1.9 114,-0.0 2,-0.4 -0.726 360.0-151.9 -92.9 147.0 -6.6 79.5 -12.8 3 3 A H E -ab 27 116A 36 112,-0.7 114,-2.6 -2,-0.3 2,-0.4 -0.982 16.5-176.5-125.6 126.2 -8.0 82.6 -10.9 4 4 A F E -ab 28 117A 1 23,-2.9 25,-2.6 -2,-0.4 26,-0.9 -0.942 24.8-156.1-125.5 143.8 -11.0 82.4 -8.5 5 5 A I E -ab 30 118A 0 112,-2.3 114,-3.0 -2,-0.4 2,-0.5 -0.947 21.5-153.8-100.5 136.7 -13.2 84.6 -6.4 6 6 A I E -ab 31 119A 0 24,-1.9 26,-2.3 -2,-0.4 2,-0.5 -0.968 2.2-155.0-112.6 127.6 -14.9 82.6 -3.6 7 7 A D E -ab 32 120A 1 112,-2.4 114,-1.0 -2,-0.5 2,-0.4 -0.919 21.0-172.7-109.0 118.4 -18.2 84.0 -2.3 8 8 A C E -a 33 0A 4 24,-3.0 26,-1.7 -2,-0.5 2,-0.8 -0.941 43.9-171.0-126.9 129.5 -18.9 82.9 1.3 9 9 A D - 0 0 0 -2,-0.4 28,-0.3 24,-0.2 5,-0.1 -0.748 63.5-127.0 -98.7 72.1 -21.7 83.0 3.9 10 10 A T + 0 0 3 -2,-0.8 2,-0.2 33,-0.1 36,-0.1 0.027 58.1 129.0 -58.9 111.6 -18.9 81.7 5.9 11 11 A A S >> S- 0 0 0 35,-0.1 4,-2.1 73,-0.0 3,-0.9 -0.640 73.7 -62.4-131.8-167.1 -19.5 78.5 7.8 12 12 A E H 3> S+ 0 0 2 71,-2.1 4,-2.4 1,-0.3 5,-0.2 0.875 130.6 45.9 -52.0 -47.0 -17.5 75.1 8.0 13 13 A D H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.737 109.9 55.6 -77.2 -20.0 -17.8 74.0 4.4 14 14 A D H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.897 108.6 48.3 -70.3 -47.0 -16.9 77.5 3.1 15 15 A V H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.951 113.1 47.3 -56.4 -47.8 -13.7 77.4 5.1 16 16 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.878 110.6 52.3 -65.0 -34.7 -12.9 73.9 3.8 17 17 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.911 108.4 50.3 -65.6 -45.3 -13.6 75.0 0.2 18 18 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 112.7 48.2 -54.1 -48.7 -11.2 78.0 0.5 19 19 A Y H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.871 105.9 56.6 -64.4 -37.0 -8.6 75.5 1.9 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.925 110.5 45.4 -60.1 -43.8 -9.2 73.0 -1.0 21 21 A L H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -2,-0.2 0.956 118.1 42.3 -63.7 -49.8 -8.4 75.8 -3.5 22 22 A L H ><5S+ 0 0 21 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.898 110.3 54.5 -66.3 -42.7 -5.3 77.0 -1.6 23 23 A K H 3<5S+ 0 0 56 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.5 49.8 -54.9 -39.5 -3.9 73.5 -0.8 24 24 A N T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.130 117.3-109.6 -93.6 17.7 -4.1 72.8 -4.5 25 25 A N T < 5 + 0 0 122 -3,-1.7 2,-0.4 1,-0.2 -23,-0.2 0.790 63.6 151.0 59.4 33.9 -2.3 75.9 -5.8 26 26 A I < - 0 0 21 -5,-2.2 2,-0.7 -6,-0.1 -1,-0.2 -0.812 52.8-114.7 -86.7 134.8 -5.4 77.6 -7.3 27 27 A D E -a 3 0A 48 -25,-1.9 -23,-2.9 -2,-0.4 2,-0.7 -0.625 28.4-165.4 -77.5 109.8 -5.0 81.4 -7.3 28 28 A V E -a 4 0A 2 -2,-0.7 -23,-0.2 -25,-0.2 3,-0.1 -0.885 7.8-178.8 -94.1 111.0 -7.7 82.8 -5.0 29 29 A V E - 0 0 15 -25,-2.6 2,-0.3 -2,-0.7 -24,-0.2 0.691 61.5 -5.6 -87.9 -18.9 -7.8 86.5 -5.8 30 30 A A E -a 5 0A 0 -26,-0.9 -24,-1.9 28,-0.1 2,-0.4 -0.961 51.8-137.9-166.9 152.6 -10.5 87.6 -3.3 31 31 A V E -ac 6 60A 2 28,-2.4 30,-2.6 -2,-0.3 2,-0.3 -0.980 24.2-163.0-111.9 128.6 -13.0 86.3 -0.8 32 32 A T E -ac 7 61A 0 -26,-2.3 -24,-3.0 -2,-0.4 2,-0.4 -0.901 8.5-142.0-113.2 142.3 -16.4 88.0 -0.9 33 33 A I E +ac 8 62A 0 28,-2.1 30,-1.7 -2,-0.3 2,-0.3 -0.928 20.7 175.4-113.6 136.8 -19.0 87.8 2.0 34 34 A V - 0 0 0 -26,-1.7 31,-0.2 -2,-0.4 -24,-0.1 -0.935 36.9 -90.7-134.3 154.5 -22.8 87.5 1.7 35 35 A E S S+ 0 0 0 29,-1.2 2,-0.2 -2,-0.3 90,-0.2 -0.236 76.4 86.0 -57.3 150.3 -25.7 87.0 4.0 36 36 A G S S+ 0 0 0 2,-0.5 39,-0.2 29,-0.1 -1,-0.1 -0.751 71.2 34.6 164.9-111.9 -26.8 83.5 4.8 37 37 A N S S- 0 0 12 -28,-0.3 38,-2.8 -2,-0.2 2,-0.2 0.796 115.6 -3.1 -50.6 -47.3 -25.8 80.8 7.2 38 38 A I S S- 0 0 0 36,-0.2 -2,-0.5 1,-0.1 5,-0.1 -0.831 103.7 -40.8-139.4 179.0 -25.0 82.8 10.3 39 39 A S > - 0 0 53 42,-0.3 4,-1.8 -2,-0.2 3,-0.5 -0.145 56.1-130.4 -47.5 129.2 -24.7 86.4 11.6 40 40 A Y H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.880 102.9 52.4 -56.5 -44.6 -23.1 88.5 8.8 41 41 A E H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 109.7 50.4 -68.5 -28.7 -20.4 90.2 10.9 42 42 A Q H > S+ 0 0 31 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.847 104.6 58.7 -71.8 -33.2 -19.2 86.8 12.2 43 43 A E H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.901 105.9 48.9 -60.1 -40.9 -19.1 85.5 8.6 44 44 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.941 112.7 47.0 -62.4 -47.4 -16.6 88.3 7.8 45 45 A K H X S+ 0 0 67 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.895 107.8 57.3 -63.7 -35.5 -14.5 87.5 10.9 46 46 A N H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.907 107.7 47.2 -60.7 -43.2 -14.6 83.8 10.0 47 47 A A H X S+ 0 0 4 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.921 112.8 47.6 -67.3 -44.0 -13.0 84.4 6.6 48 48 A L H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.933 113.8 48.0 -60.7 -47.1 -10.3 86.6 8.0 49 49 A W H X S+ 0 0 48 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.914 108.9 54.3 -59.5 -44.7 -9.5 84.2 10.7 50 50 A A H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.911 106.9 50.8 -58.0 -44.2 -9.4 81.3 8.2 51 51 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-1.0 0.869 104.9 58.2 -61.8 -39.0 -6.9 83.1 6.0 52 52 A E H ><5S+ 0 0 11 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.843 97.1 61.0 -58.7 -34.1 -4.6 83.7 9.0 53 53 A Q H 3<5S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.714 111.9 38.9 -69.3 -20.4 -4.4 79.9 9.7 54 54 A V T <<5S- 0 0 15 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.079 115.0-112.0-117.7 22.3 -2.8 79.4 6.3 55 55 A N T < 5 + 0 0 146 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.750 68.2 139.6 58.4 33.1 -0.6 82.6 6.3 56 56 A R < - 0 0 102 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.743 43.9-163.3-109.8 154.2 -2.4 84.4 3.5 57 57 A E + 0 0 166 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 -0.128 33.6 155.2-124.8 32.0 -3.4 88.1 3.1 58 58 A I - 0 0 10 1,-0.1 -28,-0.1 -7,-0.1 2,-0.1 -0.344 52.2-101.7 -58.4 134.9 -6.0 87.7 0.4 59 59 A P - 0 0 34 0, 0.0 -28,-2.4 0, 0.0 2,-0.5 -0.428 29.0-152.0 -70.3 140.4 -8.5 90.5 0.5 60 60 A V E -c 31 0A 1 35,-0.3 37,-3.0 -30,-0.2 -28,-0.2 -0.959 9.8-164.5-110.0 117.5 -11.9 90.0 2.1 61 61 A Y E -c 32 0A 40 -30,-2.6 -28,-2.1 -2,-0.5 2,-0.2 -0.908 13.5-139.7-107.7 110.8 -14.7 92.2 0.7 62 62 A P E +c 33 0A 27 0, 0.0 39,-1.5 0, 0.0 40,-0.1 -0.488 31.6 172.6 -65.4 135.4 -17.9 92.5 2.8 63 63 A G - 0 0 7 -30,-1.7 -29,-0.1 1,-0.3 2,-0.1 -0.014 41.7 -6.9-116.4-141.1 -20.9 92.5 0.5 64 64 A A - 0 0 12 1,-0.1 -29,-1.2 -29,-0.1 -1,-0.3 -0.343 43.7-167.9 -58.4 135.9 -24.7 92.3 0.9 65 65 A N S S+ 0 0 90 -31,-0.2 -25,-0.2 1,-0.1 -1,-0.1 0.266 75.0 25.4-108.5 12.9 -26.0 91.7 4.4 66 66 A K S S- 0 0 146 -31,-0.1 -31,-0.1 5,-0.0 -1,-0.1 -0.963 93.8 -86.2-161.7 159.2 -29.5 91.0 3.4 67 67 A P - 0 0 8 0, 0.0 101,-0.1 0, 0.0 -2,-0.1 -0.158 43.8-107.1 -62.8 161.7 -31.4 89.8 0.2 68 68 A L S S- 0 0 65 1,-0.1 100,-0.1 -4,-0.1 3,-0.0 0.912 102.2 -14.2 -53.9 -45.4 -32.3 92.2 -2.5 69 69 A L S S+ 0 0 132 2,-0.1 2,-0.1 1,-0.0 -1,-0.1 0.629 115.0 75.7-128.9 -41.4 -36.1 92.1 -1.6 70 70 A K S S- 0 0 23 97,-0.1 2,-0.2 1,-0.1 195,-0.0 -0.406 70.0-116.8 -90.6 159.8 -37.0 89.2 0.7 71 71 A N - 0 0 143 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.536 36.9-176.5 -77.7 160.3 -36.7 88.5 4.3 72 72 A Y - 0 0 55 -2,-0.2 2,-0.4 -5,-0.1 95,-0.1 -0.864 19.2-126.3-145.1 174.1 -34.5 85.5 5.3 73 73 A I - 0 0 90 -2,-0.3 2,-0.1 2,-0.0 94,-0.0 -0.990 16.5-131.7-124.5 141.4 -33.4 83.5 8.4 74 74 A T - 0 0 55 -2,-0.4 -36,-0.2 1,-0.0 -37,-0.2 -0.462 15.0-142.2 -73.8 162.9 -30.0 82.6 9.5 75 75 A V >> + 0 0 9 -38,-2.8 4,-1.7 -39,-0.2 3,-1.3 -0.414 43.2 146.0-129.0 55.0 -29.4 78.9 10.5 76 76 A E H 3> S+ 0 0 50 1,-0.3 4,-2.1 2,-0.2 7,-0.1 0.758 72.9 68.0 -63.0 -20.7 -27.1 78.9 13.6 77 77 A K H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.837 106.2 40.8 -62.4 -32.6 -29.0 75.9 14.7 78 78 A V H <4 S+ 0 0 21 -3,-1.3 146,-0.2 -41,-0.2 -2,-0.2 0.893 131.8 20.5 -81.3 -43.1 -27.5 74.0 11.8 79 79 A H H < S- 0 0 11 -4,-1.7 6,-2.5 1,-0.2 142,-0.2 0.437 109.4-104.8-109.9 -4.4 -23.9 75.3 11.9 80 80 A G >< - 0 0 0 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.2 -0.008 44.7 -72.8 87.5 159.6 -23.4 76.6 15.4 81 81 A K T 3 S+ 0 0 128 1,-0.3 -42,-0.3 2,-0.1 5,-0.2 0.843 137.5 39.9 -56.2 -34.6 -23.4 80.3 16.5 82 82 A G T 3 S- 0 0 0 3,-2.0 -1,-0.3 -3,-0.1 7,-0.2 0.342 113.6-114.2 -98.6 2.9 -20.0 80.8 15.0 83 83 A G S < S+ 0 0 0 -3,-1.6 -71,-2.1 2,-0.3 -3,-0.2 0.300 112.1 61.6 84.5 -8.1 -20.6 78.7 11.9 84 84 A I S S- 0 0 8 1,-0.9 3,-0.3 3,-0.5 2,-0.2 -0.281 131.5 -61.9-139.3 41.9 -18.1 76.1 12.9 85 85 A G S S- 0 0 8 -6,-2.5 -3,-2.0 1,-0.1 -1,-0.9 -0.613 89.2 -46.8 91.4-167.1 -19.8 75.1 16.1 86 86 A D S S+ 0 0 112 -2,-0.2 -1,-0.1 -5,-0.2 2,-0.1 0.588 102.0 108.9 -83.5 -9.2 -20.4 77.6 18.9 87 87 A V - 0 0 79 -3,-0.3 2,-0.6 1,-0.1 -3,-0.5 -0.478 56.9-153.8 -61.8 136.7 -16.9 79.1 19.0 88 88 A T - 0 0 72 -2,-0.1 -1,-0.1 -5,-0.1 -2,-0.1 -0.897 16.7-155.9-118.2 96.5 -16.8 82.6 17.6 89 89 A V - 0 0 15 -2,-0.6 -40,-0.1 -7,-0.2 -44,-0.1 -0.180 8.6-160.4 -75.6 164.8 -13.4 83.3 16.2 90 90 A E - 0 0 107 -44,-0.1 -44,-0.1 -41,-0.1 -45,-0.0 -0.979 21.4-119.3-145.5 126.8 -11.6 86.6 15.7 91 91 A P - 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0 0 18 0, 0.0 2,-0.7 0, 0.0 39,-0.1 -0.320 50.3-100.5 -71.1 159.3 -22.3 61.8 3.1 195 195 A V B -H 234 0B 1 39,-2.8 39,-0.8 4,-0.1 -2,-0.0 -0.730 49.8-141.3 -75.2 111.5 -19.2 61.3 5.2 196 196 A T > - 0 0 48 -2,-0.7 4,-2.8 37,-0.2 5,-0.2 -0.164 22.1-103.4 -75.7 166.5 -19.9 57.9 6.8 197 197 A D H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 123.8 53.9 -56.7 -39.9 -19.2 56.8 10.3 198 198 A E H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 111.8 43.8 -58.2 -47.3 -16.2 54.7 8.9 199 199 A E H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.901 111.9 52.8 -66.6 -42.6 -14.8 57.8 7.2 200 200 A W H X S+ 0 0 18 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.919 108.2 51.0 -59.6 -45.5 -15.4 60.0 10.2 201 201 A N H X S+ 0 0 99 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.878 107.7 53.2 -61.0 -38.8 -13.5 57.6 12.5 202 202 A V H >< S+ 0 0 50 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.938 110.7 47.3 -61.0 -45.1 -10.6 57.5 10.0 203 203 A I H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.904 106.7 56.5 -63.0 -42.2 -10.4 61.3 10.2 204 204 A K H 3< S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.737 108.5 49.4 -62.6 -22.9 -10.6 61.4 14.0 205 205 A N T << S+ 0 0 112 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.430 87.0 85.8 -96.9 1.5 -7.5 59.2 14.1 206 206 A M S < S- 0 0 43 -3,-1.5 -1,-0.1 -4,-0.3 -2,-0.1 0.836 70.1-161.0 -71.6 -37.9 -5.3 61.2 11.7 207 207 A K + 0 0 123 -4,-0.5 2,-0.2 -3,-0.2 -3,-0.1 0.823 38.8 131.9 57.2 40.4 -4.0 63.7 14.4 208 208 A T S > S- 0 0 27 103,-0.1 4,-2.4 100,-0.1 5,-0.2 -0.710 71.5-109.1-102.9 168.3 -2.8 66.5 12.1 209 209 A R H > S+ 0 0 188 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.920 121.3 48.6 -63.8 -40.6 -3.7 70.2 12.8 210 210 A M H > S+ 0 0 0 101,-2.8 4,-2.6 98,-0.3 -1,-0.2 0.897 110.9 48.4 -67.0 -42.2 -6.0 70.1 9.8 211 211 A S H > S+ 0 0 0 97,-0.7 4,-2.5 100,-0.3 -1,-0.2 0.905 112.8 49.2 -65.6 -40.1 -7.8 66.8 10.8 212 212 A E H X S+ 0 0 97 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.903 111.9 48.9 -63.4 -40.8 -8.3 68.2 14.3 213 213 A L H X S+ 0 0 35 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.922 109.9 51.6 -63.6 -44.5 -9.7 71.4 12.9 214 214 A Y H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.944 110.6 47.8 -57.9 -48.4 -12.0 69.5 10.6 215 215 A V H X S+ 0 0 24 -4,-2.5 4,-1.5 1,-0.2 3,-0.3 0.941 114.2 47.6 -59.4 -46.4 -13.4 67.4 13.5 216 216 A S H < S+ 0 0 73 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.884 115.1 44.9 -59.9 -41.6 -13.8 70.6 15.6 217 217 A M H < S+ 0 0 1 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.738 118.8 40.4 -76.1 -25.6 -15.6 72.5 12.8 218 218 A Y H X S+ 0 0 0 -4,-1.9 4,-2.9 -3,-0.3 5,-0.3 0.558 86.5 89.4-104.5 -12.4 -17.9 69.7 11.7 219 219 A L H X S+ 0 0 95 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.907 93.5 41.9 -56.3 -49.8 -19.1 68.1 15.0 220 220 A H H > S+ 0 0 56 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.936 116.6 48.8 -63.7 -47.0 -22.1 70.3 15.5 221 221 A Y H > S+ 0 0 11 -4,-0.3 4,-2.9 -142,-0.2 -2,-0.2 0.874 110.2 52.0 -60.1 -41.1 -23.1 70.2 11.8 222 222 A R H X S+ 0 0 15 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.926 109.2 49.0 -62.7 -46.0 -22.8 66.4 11.7 223 223 A Q H X S+ 0 0 115 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.930 115.9 43.8 -58.6 -44.0 -25.1 65.9 14.8 224 224 A Y H X>S+ 0 0 30 -4,-2.1 4,-2.7 -146,-0.2 5,-0.9 0.928 111.8 52.2 -69.6 -45.5 -27.7 68.2 13.3 225 225 A S H <5S+ 0 0 2 -4,-2.9 6,-2.2 1,-0.2 5,-0.3 0.887 114.3 43.5 -59.9 -38.3 -27.5 66.7 9.8 226 226 A S H <5S+ 0 0 49 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.887 119.3 40.9 -73.6 -40.1 -28.0 63.2 11.2 227 227 A T H <5S+ 0 0 80 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.837 129.7 21.1 -80.6 -35.1 -30.8 64.0 13.6 228 228 A V T <5S+ 0 0 69 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.879 131.2 35.8-100.0 -54.5 -32.9 66.4 11.6 229 229 A Q S + 0 0 1 -46,-0.3 4,-2.3 -43,-0.2 5,-0.3 -0.585 30.7 159.0-128.2 65.2 -20.2 68.4 1.9 237 237 A P H > S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.934 79.3 32.3 -58.1 -49.7 -22.3 70.6 -0.4 238 238 A D H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 117.3 53.9 -77.1 -38.9 -19.6 73.3 -1.0 239 239 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 109.2 49.4 -67.9 -34.0 -16.5 71.1 -0.8 240 240 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 111.0 49.8 -65.3 -44.4 -18.0 68.8 -3.5 241 241 A T H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.3 -2,-0.2 0.932 113.9 46.0 -57.7 -46.7 -18.7 71.8 -5.7 242 242 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.889 109.9 53.2 -63.6 -43.0 -15.2 73.0 -5.2 243 243 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.898 110.1 48.1 -61.4 -41.6 -13.7 69.6 -5.8 244 244 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.885 108.4 54.7 -67.3 -38.9 -15.5 69.4 -9.2 245 245 A A H < S+ 0 0 3 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.937 114.7 40.8 -59.6 -40.4 -14.3 72.9 -10.1 246 246 A I H < S+ 0 0 33 -4,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.931 134.2 17.5 -70.1 -47.8 -10.7 71.8 -9.5 247 247 A D >< - 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