==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-13 4BR7 . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 356 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 13.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 1 1 1 1 1 0 0 2 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 38 A P > 0 0 79 0, 0.0 4,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -19.8 41.5 46.7 4.4 2 39 A a T 4 + 0 0 32 1,-0.2 5,-0.2 2,-0.2 21,-0.0 0.440 360.0 57.9 -85.9 2.6 38.1 48.5 4.0 3 40 A E T 4 S+ 0 0 192 3,-0.1 -1,-0.2 1,-0.0 3,-0.0 0.737 114.3 36.6 -95.4 -31.5 39.3 50.2 0.8 4 41 A K T 4 S+ 0 0 141 -3,-0.1 2,-0.3 2,-0.1 -2,-0.2 0.672 128.6 19.6 -95.0 -16.9 40.1 46.9 -0.8 5 42 A H S < S- 0 0 68 -4,-1.4 21,-0.2 21,-0.1 2,-0.1 -0.893 89.0 -86.4-142.3 168.5 37.2 44.8 0.5 6 43 A S E -A 25 0A 53 19,-1.9 19,-2.2 -2,-0.3 2,-0.3 -0.494 42.3-157.3 -73.4 157.4 33.8 45.3 2.1 7 44 A a E +A 24 0A 12 17,-0.2 2,-0.3 -5,-0.2 17,-0.2 -0.952 14.2 176.3-137.2 153.2 33.6 45.8 5.9 8 45 A I E -A 23 0A 3 15,-2.0 15,-2.9 -2,-0.3 2,-0.4 -0.982 18.3-141.8-152.6 142.9 30.9 45.3 8.5 9 46 A A E -Ab 22 76A 0 66,-2.8 68,-2.0 -2,-0.3 2,-0.4 -0.913 12.9-172.3-108.0 140.0 30.8 45.7 12.3 10 47 A V E -Ab 21 77A 0 11,-2.6 11,-2.5 -2,-0.4 2,-0.6 -0.997 8.3-157.7-129.2 123.7 28.9 43.3 14.6 11 48 A I E -Ab 20 78A 0 66,-3.0 68,-2.8 -2,-0.4 2,-0.9 -0.922 4.2-156.2-100.9 122.9 28.6 44.1 18.3 12 49 A D E -Ab 19 79A 26 7,-3.0 7,-2.4 -2,-0.6 2,-1.4 -0.859 7.5-166.4 -96.2 104.3 27.9 41.1 20.5 13 50 A A E +Ab 18 80A 4 66,-2.7 68,-1.9 -2,-0.9 71,-0.3 -0.665 25.4 168.2 -94.3 89.1 26.2 42.6 23.6 14 51 A G - 0 0 10 3,-1.7 34,-0.5 -2,-1.4 35,-0.3 -0.187 48.1 -86.6-102.1-172.5 26.4 39.7 25.9 15 52 A S S S+ 0 0 66 1,-0.2 32,-0.5 32,-0.1 3,-0.1 0.846 121.2 31.7 -73.6 -25.3 25.8 39.0 29.5 16 53 A T S S- 0 0 89 1,-0.3 2,-0.3 30,-0.2 -1,-0.2 0.588 131.0 -32.5-106.0 -6.6 29.3 39.9 30.9 17 54 A G - 0 0 3 -3,-0.2 -3,-1.7 29,-0.2 2,-0.4 -0.972 63.5 -89.4 169.8 176.7 30.3 42.5 28.4 18 55 A S E -AC 13 44A 0 26,-2.1 26,-2.7 -2,-0.3 2,-0.5 -0.942 29.6-161.5-115.8 136.1 30.0 43.8 24.8 19 56 A R E -AC 12 43A 85 -7,-2.4 -7,-3.0 -2,-0.4 2,-0.5 -0.978 3.9-155.7-123.4 121.3 32.4 42.8 22.1 20 57 A L E -AC 11 42A 0 22,-2.8 22,-1.9 -2,-0.5 2,-0.4 -0.823 12.3-173.1 -91.1 131.2 32.8 44.7 18.8 21 58 A H E -AC 10 41A 2 -11,-2.5 -11,-2.6 -2,-0.5 2,-0.5 -0.990 7.3-164.0-122.5 130.1 34.1 42.8 15.8 22 59 A I E -AC 9 40A 0 18,-2.6 17,-3.0 -2,-0.4 18,-1.2 -0.972 13.9-170.1-113.2 130.3 34.9 44.4 12.5 23 60 A Y E -AC 8 38A 4 -15,-2.9 -15,-2.0 -2,-0.5 2,-0.3 -0.921 16.2-152.9-118.3 143.3 35.3 42.1 9.6 24 61 A S E +AC 7 37A 8 13,-2.5 13,-2.1 -2,-0.4 2,-0.3 -0.763 29.8 162.4-100.2 152.4 36.5 42.6 6.1 25 62 A Y E -A 6 0A 19 -19,-2.2 -19,-1.9 -2,-0.3 2,-0.2 -0.984 31.6-137.0-159.4 164.9 35.1 40.2 3.4 26 63 A D E - C 0 34A 44 8,-2.7 8,-2.7 -2,-0.3 2,-0.4 -0.677 24.0-128.8-112.3 173.4 34.6 39.7 -0.3 27 64 A T E - C 0 33A 65 6,-0.3 2,-0.1 -2,-0.2 -2,-0.0 -0.995 17.8-148.6-130.2 133.1 31.4 38.5 -1.9 28 65 A D > - 0 0 38 4,-2.7 3,-2.1 -2,-0.4 4,-0.2 -0.178 39.3 -83.5 -92.2-171.3 31.3 35.6 -4.4 29 66 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.450 126.2 59.5 -83.5 8.1 29.0 35.0 -7.4 30 67 A T T 3 S- 0 0 49 2,-0.2 149,-0.4 3,-0.0 -1,-0.3 0.233 119.1-110.0-103.4 6.4 26.2 33.5 -5.2 31 68 A N S < S+ 0 0 138 -3,-2.1 -2,-0.2 1,-0.3 -4,-0.0 0.812 76.8 134.2 65.8 33.5 26.1 36.8 -3.3 32 69 A T - 0 0 4 -4,-0.2 -4,-2.7 145,-0.1 -1,-0.3 -0.946 61.1-108.2-114.3 140.7 27.6 35.2 -0.2 33 70 A P E +C 27 0A 4 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.255 41.0 176.1 -62.5 141.9 30.5 36.6 1.9 34 71 A I E +C 26 0A 27 -8,-2.7 -8,-2.7 1,-0.1 0, 0.0 -0.919 55.9 34.7-135.8 166.9 33.9 34.9 1.5 35 72 A H E S- 0 0 110 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.888 73.7-174.8 56.6 43.3 37.4 35.6 2.9 36 73 A I E + 0 0 12 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.566 5.6 175.9 -78.1 126.4 35.8 36.9 6.2 37 74 A E E -C 24 0A 121 -13,-2.1 -13,-2.5 -2,-0.3 2,-0.6 -0.997 31.1-129.6-135.4 130.7 38.7 38.2 8.4 38 75 A E E +C 23 0A 78 -2,-0.4 -15,-0.3 -15,-0.2 3,-0.1 -0.660 28.9 173.4 -78.9 122.0 38.4 39.9 11.7 39 76 A I E + 0 0 53 -17,-3.0 2,-0.3 -2,-0.6 -16,-0.2 0.547 66.2 20.1-106.9 -8.2 40.4 43.1 11.5 40 77 A W E -C 22 0A 64 -18,-1.2 -18,-2.6 29,-0.0 2,-0.3 -0.947 59.8-179.7-155.7 142.1 39.5 44.8 14.8 41 78 A N E +C 21 0A 64 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.916 5.6 174.9-149.7 118.3 38.1 43.3 18.1 42 79 A K E -C 20 0A 52 -22,-1.9 -22,-2.8 -2,-0.3 2,-0.5 -0.991 8.2-167.2-129.2 126.4 37.3 45.4 21.3 43 80 A K E -C 19 0A 76 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.945 6.0-177.9-111.6 137.7 35.6 44.1 24.4 44 81 A I E -C 18 0A 12 -26,-2.7 -26,-2.1 -2,-0.5 17,-0.0 -0.931 21.1-102.9-124.9 155.8 34.3 46.2 27.2 45 82 A K S S+ 0 0 156 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.1 -0.837 72.2 37.5-121.2 162.4 32.7 45.3 30.6 46 83 A P S S- 0 0 66 0, 0.0 -28,-0.2 0, 0.0 -29,-0.2 0.656 88.9 -89.3 -86.8-163.3 30.2 45.0 32.3 47 84 A G > - 0 0 3 -32,-0.5 3,-2.0 -30,-0.2 4,-0.4 -0.336 31.3-122.4 -64.8 146.9 27.2 43.7 30.3 48 85 A F G > S+ 0 0 2 -34,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.885 111.4 59.2 -54.1 -42.1 25.0 46.2 28.6 49 86 A A G 3 S+ 0 0 25 -35,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.435 102.5 55.7 -73.5 2.1 21.9 45.0 30.4 50 87 A S G < S+ 0 0 77 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.509 89.7 89.0-109.3 -2.8 23.7 45.7 33.8 51 88 A I S < S- 0 0 17 -3,-1.6 7,-0.0 -4,-0.4 6,-0.0 -0.556 91.3 -91.5 -95.6 159.9 24.4 49.4 33.2 52 89 A Q - 0 0 125 -2,-0.2 2,-1.8 1,-0.1 6,-0.1 -0.444 37.9-133.3 -67.5 125.5 22.1 52.4 34.0 53 90 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.489 64.3 112.3 -86.1 72.4 20.1 53.1 30.9 54 91 A N S > S- 0 0 44 -2,-1.8 4,-2.3 1,-0.1 5,-0.3 -0.813 79.8-101.4-129.5 173.0 20.4 56.9 30.7 55 92 A S H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.902 116.8 51.2 -69.3 -41.9 22.3 59.0 28.1 56 93 A V H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 114.1 43.6 -59.8 -43.7 25.4 59.7 30.2 57 94 A T H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.924 117.5 45.0 -70.5 -41.4 26.0 56.0 31.0 58 95 A I H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.890 112.0 52.2 -70.9 -38.3 25.2 54.8 27.4 59 96 A D H X S+ 0 0 75 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.943 111.2 46.9 -63.6 -46.6 27.3 57.5 25.8 60 97 A A H X S+ 0 0 61 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.909 115.5 46.5 -59.3 -41.0 30.3 56.6 28.0 61 98 A Y H X S+ 0 0 16 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.950 115.6 43.0 -70.5 -50.6 29.9 52.9 27.3 62 99 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.4 0.852 113.1 53.8 -64.2 -33.4 29.4 53.2 23.5 63 100 A T H X S+ 0 0 56 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.929 110.2 46.7 -67.7 -43.2 32.2 55.7 23.2 64 101 A M H < S+ 0 0 111 -4,-2.0 4,-0.2 -5,-0.2 -1,-0.2 0.869 117.1 44.4 -67.4 -33.1 34.6 53.3 25.0 65 102 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 130.7 16.7 -74.2 -39.9 33.5 50.4 22.8 66 103 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 -5,-0.2 -3,-0.2 0.745 98.7 81.4-111.3 -28.6 33.5 52.3 19.4 67 104 A A T 3< S+ 0 0 54 -4,-2.5 -3,-0.1 -5,-0.4 -1,-0.1 0.726 92.3 53.7 -71.7 -17.4 35.5 55.5 19.4 68 105 A D T 3 S+ 0 0 110 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.594 77.7 124.0 -85.7 -9.9 38.9 53.9 19.0 69 106 A A < - 0 0 8 -3,-1.9 2,-0.6 1,-0.1 -29,-0.0 -0.229 64.1-131.8 -58.5 139.3 37.9 51.8 15.9 70 107 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.116 77.5 79.3 -84.9 37.0 40.2 52.5 12.8 71 108 A I - 0 0 41 -2,-0.6 2,-0.4 3,-0.0 3,-0.3 -0.891 56.9-157.4-153.3 130.8 37.3 52.9 10.4 72 109 A H S S+ 0 0 105 -2,-0.3 36,-0.1 1,-0.2 37,-0.1 -0.753 71.7 15.4 -91.4 134.2 34.8 55.6 9.3 73 110 A N S S+ 0 0 80 35,-2.3 36,-0.2 -2,-0.4 -1,-0.2 0.954 76.8 138.6 78.2 58.4 31.5 54.8 7.6 74 111 A I E - d 0 109A 8 34,-1.2 36,-2.6 -3,-0.3 -1,-0.2 -0.952 54.9-101.6-129.2 154.4 30.6 51.2 8.0 75 112 A P E - d 0 110A 45 0, 0.0 -66,-2.8 0, 0.0 2,-0.4 -0.471 39.6-166.5 -65.0 141.3 27.4 49.3 8.7 76 113 A V E -bd 9 111A 0 34,-2.4 36,-3.1 -68,-0.2 37,-0.9 -0.993 14.5-157.3-134.1 142.3 27.0 48.1 12.2 77 114 A Y E -bd 10 113A 14 -68,-2.0 -66,-3.0 -2,-0.4 2,-0.7 -0.960 6.8-159.1-111.1 129.1 24.6 45.6 13.9 78 115 A F E +bd 11 114A 0 35,-2.7 37,-2.1 -2,-0.5 2,-0.6 -0.935 19.1 177.4-109.7 107.7 24.1 45.9 17.6 79 116 A Y E -bd 12 115A 1 -68,-2.8 -66,-2.7 -2,-0.7 2,-0.3 -0.925 12.0-165.4-119.7 114.8 22.8 42.5 18.8 80 117 A A E -bd 13 116A 1 35,-2.5 37,-1.9 -2,-0.6 -66,-0.2 -0.696 12.0-163.9 -93.1 154.3 22.2 41.8 22.4 81 118 A T >> - 0 0 12 -68,-1.9 4,-1.7 -2,-0.3 3,-0.9 0.080 49.8 -34.1-119.4-141.2 21.7 38.2 23.6 82 119 A A H 3> S+ 0 0 6 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.774 123.0 65.8 -62.3 -34.6 20.3 36.3 26.6 83 120 A G H 34 S+ 0 0 12 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.936 110.9 38.1 -45.2 -49.2 21.5 38.9 29.2 84 121 A M H X4 S+ 0 0 4 -3,-0.9 3,-2.3 -71,-0.3 -2,-0.2 0.853 107.9 64.1 -73.1 -34.5 19.0 41.4 27.7 85 122 A R H 3< S+ 0 0 41 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.750 96.3 60.6 -60.0 -24.6 16.4 38.7 27.0 86 123 A L T 3< S+ 0 0 73 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.556 92.2 82.6 -78.6 -8.9 16.2 38.3 30.8 87 124 A L S < S- 0 0 43 -3,-2.3 5,-0.1 -5,-0.1 -38,-0.0 -0.718 93.6 -98.5 -95.3 148.2 15.1 42.0 31.3 88 125 A P >> - 0 0 81 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.310 33.0-117.2 -55.3 150.0 11.5 43.1 30.9 89 126 A Q H 3> S+ 0 0 168 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.865 115.2 57.8 -57.3 -40.7 10.8 44.6 27.4 90 127 A S H 3> S+ 0 0 83 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.880 108.7 45.7 -60.5 -35.5 10.0 47.9 29.0 91 128 A Q H <> S+ 0 0 56 -3,-0.8 4,-1.3 2,-0.2 3,-0.5 0.913 111.4 52.7 -70.3 -46.1 13.4 48.0 30.6 92 129 A Q H X S+ 0 0 29 -4,-2.6 4,-2.0 1,-0.2 3,-0.4 0.897 102.2 60.0 -52.9 -44.2 15.0 46.9 27.3 93 130 A K H X S+ 0 0 122 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.842 97.6 58.5 -60.7 -30.9 13.2 49.8 25.5 94 131 A K H X S+ 0 0 105 -4,-1.0 4,-1.6 -3,-0.5 -1,-0.2 0.923 107.9 46.8 -63.4 -40.0 15.0 52.4 27.7 95 132 A Y H X S+ 0 0 7 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.919 114.2 46.8 -63.3 -50.5 18.3 51.1 26.5 96 133 A Y H X S+ 0 0 26 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.863 107.7 54.7 -64.7 -34.5 17.3 51.0 22.8 97 134 A D H X S+ 0 0 75 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.934 114.4 42.6 -63.0 -41.4 15.7 54.6 22.9 98 135 A E H X S+ 0 0 46 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.912 115.2 49.1 -71.5 -42.5 19.1 55.9 24.2 99 136 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.943 109.0 52.1 -63.3 -43.3 21.1 53.8 21.9 100 137 A D H X S+ 0 0 51 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.931 112.1 47.5 -57.2 -43.8 19.1 54.8 18.8 101 138 A Y H X S+ 0 0 123 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.948 108.1 54.2 -64.2 -46.4 19.6 58.5 19.8 102 139 A W H >< S+ 0 0 37 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.925 110.0 46.8 -53.9 -48.6 23.4 58.0 20.3 103 140 A F H >< S+ 0 0 10 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.860 106.9 58.1 -63.7 -31.6 23.8 56.5 16.8 104 141 A R H 3< S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 98.5 63.7 -69.6 -20.0 21.7 59.4 15.2 105 142 A Q T << S+ 0 0 107 -4,-1.2 2,-0.3 -3,-0.9 -1,-0.3 0.343 105.6 40.0 -86.8 5.2 24.2 61.9 16.7 106 143 A Q < - 0 0 52 -3,-1.4 0, 0.0 3,-0.1 0, 0.0 -0.947 57.5-149.8-146.3 168.7 27.2 60.7 14.7 107 144 A S S S+ 0 0 78 -2,-0.3 -34,-0.2 3,-0.1 -1,-0.1 0.555 76.0 87.1-122.4 -10.0 28.3 59.6 11.3 108 145 A Q S S+ 0 0 45 -36,-0.1 -35,-2.3 -35,-0.1 -34,-1.2 0.848 95.4 45.3 -52.0 -37.7 31.3 57.2 11.8 109 146 A W E -d 74 0A 6 -36,-0.2 2,-0.8 -6,-0.2 -3,-0.1 -0.938 68.4-152.7-119.3 139.5 28.8 54.3 12.2 110 147 A Q E -d 75 0A 95 -36,-2.6 -34,-2.4 -2,-0.4 2,-0.5 -0.899 22.0-146.7-112.0 94.9 25.8 53.5 10.1 111 148 A L E +d 76 0A 49 -2,-0.8 -34,-0.2 -36,-0.2 3,-0.1 -0.534 21.1 178.1 -66.6 118.6 23.6 51.6 12.5 112 149 A V E - 0 0 70 -36,-3.1 2,-0.3 -2,-0.5 -35,-0.2 0.930 66.8 -16.7 -80.4 -49.1 21.6 49.0 10.5 113 150 A E E -d 77 0A 47 -37,-0.9 -35,-2.7 2,-0.1 2,-0.4 -0.980 50.9-166.6-154.9 142.5 19.7 47.4 13.4 114 151 A A E +d 78 0A 20 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.973 38.4 126.0-132.5 120.8 20.0 47.3 17.2 115 152 A K E -d 79 0A 70 -37,-2.1 -35,-2.5 -2,-0.4 2,-0.9 -0.981 65.3 -96.4-163.0 167.1 17.9 44.7 18.9 116 153 A T E -d 80 0A 29 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.1 -0.865 49.0-138.7 -93.2 108.6 17.9 41.8 21.3 117 154 A I - 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0 0 125 -5,-0.1 -4,-2.8 1,-0.1 2,-0.3 -0.236 62.7-115.2 -73.8 174.1 26.4 22.1 54.2 219 256 A S B -L 213 0D 63 -6,-0.2 -11,-0.1 -3,-0.1 -9,-0.1 -0.838 24.3-103.5-117.3 143.9 29.4 20.3 52.5 220 257 A G + 0 0 3 -8,-2.6 -9,-2.7 -2,-0.3 -14,-0.2 -0.346 31.4 178.2 -62.0 149.9 29.7 18.9 49.0 221 258 A Q - 0 0 147 -16,-2.8 -12,-0.2 -13,-0.3 73,-0.1 -0.559 28.1-150.7-146.4 75.3 29.5 15.1 48.7 222 259 A G + 0 0 1 71,-0.9 2,-0.2 -14,-0.7 -15,-0.2 -0.106 32.4 159.6 -67.1 148.1 29.8 14.7 44.9 223 260 A N > - 0 0 49 -17,-2.6 4,-2.6 1,-0.1 3,-0.4 -0.748 25.9-153.7-159.8 107.1 28.3 12.0 42.8 224 261 A A H > S+ 0 0 0 1,-0.2 4,-3.5 -2,-0.2 5,-0.2 0.895 94.2 52.8 -59.1 -40.9 28.0 12.8 39.1 225 262 A P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.913 114.0 45.5 -61.1 -36.9 25.0 10.4 38.4 226 263 A S H > S+ 0 0 40 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.924 114.8 45.4 -64.8 -47.6 23.1 12.0 41.3 227 264 A b H X S+ 0 0 0 -4,-2.6 4,-2.5 -21,-0.5 5,-0.2 0.918 111.6 54.0 -61.2 -44.5 24.0 15.5 40.2 228 265 A K H X S+ 0 0 34 -4,-3.5 4,-2.9 -5,-0.3 -1,-0.2 0.911 106.6 52.5 -55.9 -46.1 23.1 14.6 36.6 229 266 A E H X S+ 0 0 118 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.876 109.0 48.9 -58.3 -39.5 19.7 13.4 37.8 230 267 A E H X S+ 0 0 67 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.939 113.3 46.4 -67.9 -44.0 19.0 16.7 39.6 231 268 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.899 107.6 58.3 -60.5 -43.7 19.9 18.7 36.5 232 269 A T H X>S+ 0 0 22 -4,-2.9 4,-3.4 1,-0.2 5,-0.6 0.875 98.3 60.3 -60.3 -30.3 17.8 16.3 34.3 233 270 A S H X>S+ 0 0 67 -4,-1.6 4,-1.4 1,-0.2 5,-1.1 0.913 108.1 43.8 -61.8 -42.4 14.7 17.3 36.4 234 271 A L H <>S+ 0 0 27 -4,-1.1 5,-2.3 -3,-0.4 4,-0.5 0.928 117.3 47.5 -64.9 -42.8 15.2 21.0 35.4 235 272 A M H <5S+ 0 0 0 -4,-2.4 6,-2.5 3,-0.2 -2,-0.2 0.943 128.4 19.0 -64.6 -48.4 15.8 19.9 31.8 236 273 A N H <5S+ 0 0 21 -4,-3.4 4,-0.3 4,-0.3 -3,-0.2 0.859 126.9 43.6 -99.6 -41.8 12.9 17.5 31.3 237 274 A S T < + 0 0 87 -4,-0.3 4,-2.0 -6,-0.2 -4,-0.3 0.886 42.8 159.7 56.6 40.7 10.6 19.5 28.4 241 278 A V H > + 0 0 0 -6,-2.5 4,-2.6 2,-0.2 5,-0.4 0.943 69.2 47.5 -61.6 -47.7 14.0 19.3 26.5 242 279 A N H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.946 111.8 49.4 -59.0 -48.7 13.6 15.5 25.8 243 280 A Q H 4 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.838 117.9 39.8 -60.8 -39.3 10.0 15.8 24.6 244 281 A Q H < S+ 0 0 78 -4,-2.0 4,-0.3 -5,-0.1 -1,-0.2 0.846 126.6 27.4 -77.9 -37.2 10.8 18.6 22.2 245 282 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 3,-0.5 0.867 106.0 64.2-101.9 -41.3 14.1 17.6 20.8 246 283 A Q H X S+ 0 0 72 -4,-1.8 4,-2.2 -5,-0.4 5,-0.2 0.858 100.7 50.9 -61.2 -39.4 14.5 13.8 20.8 247 284 A P H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.869 112.0 49.3 -64.5 -32.6 11.7 12.9 18.4 248 285 A L H > S+ 0 0 24 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.913 112.2 46.9 -75.7 -42.3 13.0 15.4 15.9 249 286 A L H < S+ 0 0 21 -4,-2.1 -1,-0.2 2,-0.2 -3,-0.2 0.832 107.8 56.3 -65.6 -35.1 16.6 14.1 16.1 250 287 A A H < S+ 0 0 79 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.944 115.0 39.6 -59.7 -43.3 15.3 10.5 15.8 251 288 A L H < S+ 0 0 139 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.709 127.0 33.5 -80.3 -21.8 13.7 11.5 12.5 252 289 A N S < S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.557 86.1-158.1-132.5 72.7 16.5 13.8 11.3 253 290 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 -109,-0.1 -0.119 8.9-136.8 -63.1 146.1 19.8 12.3 12.5 254 291 A V - 0 0 19 1,-0.1 -109,-0.2 -5,-0.1 3,-0.1 -0.851 9.9-165.1 -98.1 130.3 22.9 14.3 12.8 255 292 A N S S+ 0 0 86 -111,-1.6 2,-0.4 -2,-0.5 -110,-0.2 0.772 76.6 25.6 -85.2 -28.9 26.0 12.7 11.6 256 293 A E E -e 145 0B 80 -112,-2.1 -110,-2.9 2,-0.0 2,-0.4 -0.976 67.7-156.9-143.6 129.7 28.5 15.2 13.3 257 294 A W E -ei 146 336B 12 78,-0.6 80,-2.8 -2,-0.4 2,-0.4 -0.860 7.5-174.8-106.2 136.4 28.0 17.3 16.4 258 295 A Y E -ei 147 337B 35 -112,-2.5 -110,-2.4 -2,-0.4 2,-0.3 -0.977 6.9-164.1-123.6 138.3 30.0 20.5 17.2 259 296 A S E -ei 148 338B 0 78,-3.0 80,-1.9 -2,-0.4 2,-0.3 -0.908 6.6-177.6-119.8 148.1 29.7 22.4 20.4 260 297 A I E +e 149 0B 18 -112,-2.4 -110,-2.6 -2,-0.3 3,-0.4 -0.835 44.7 48.4-130.7 173.1 30.8 25.9 21.3 261 298 A G E >> S-e 150 0B 29 -2,-0.3 3,-1.4 -112,-0.2 4,-0.6 -0.610 110.7 -12.8 91.3-148.4 30.6 27.9 24.5 262 299 A G H >> S+ 0 0 13 -112,-2.3 4,-2.5 1,-0.3 3,-0.6 0.760 119.6 70.9 -71.3 -22.3 31.7 26.8 27.9 263 300 A I H 3> S+ 0 0 0 -3,-0.4 4,-2.8 1,-0.3 -1,-0.3 0.883 95.7 59.1 -56.9 -36.5 32.1 23.0 27.3 264 301 A S H <> S+ 0 0 4 -3,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.866 106.0 46.5 -62.2 -38.7 35.1 24.1 25.2 265 302 A N H << S+ 0 0 92 -4,-0.6 4,-0.4 -3,-0.6 -2,-0.2 0.928 114.6 45.5 -70.3 -47.9 36.8 25.7 28.3 266 303 A L H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 6,-0.4 0.932 114.3 48.6 -53.4 -50.8 36.1 22.8 30.6 267 304 A A H 3< S+ 0 0 2 -4,-2.8 7,-0.3 1,-0.3 -1,-0.2 0.829 112.3 50.0 -68.4 -27.8 37.3 20.2 28.0 268 305 A S T 3< S+ 0 0 62 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.427 91.7 111.6 -85.7 -4.3 40.5 22.2 27.4 269 306 A S S < S- 0 0 17 -3,-1.2 3,-0.5 -4,-0.4 -3,-0.1 -0.230 80.8-112.3 -68.9 163.8 41.3 22.5 31.1 270 307 A Q S S+ 0 0 163 1,-0.2 -1,-0.1 3,-0.1 -4,-0.0 0.757 112.3 57.5 -62.4 -25.0 44.2 20.8 33.0 271 308 A L S S+ 0 0 16 -5,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.809 99.7 59.3 -83.3 -28.5 41.8 18.5 34.9 272 309 A F S S- 0 0 10 -3,-0.5 2,-0.6 -6,-0.4 12,-0.1 -0.759 71.2-144.2-101.9 149.1 40.1 16.8 31.9 273 310 A H + 0 0 116 -2,-0.3 2,-0.4 2,-0.0 -5,-0.1 -0.943 35.0 148.9-116.2 111.1 41.9 14.8 29.3 274 311 A F - 0 0 26 -2,-0.6 2,-0.3 -7,-0.3 3,-0.2 -0.998 23.0-161.1-135.4 140.3 40.4 15.1 25.8 275 312 A E > + 0 0 109 -2,-0.4 3,-1.3 3,-0.3 -2,-0.0 -0.818 66.1 26.2-118.2 174.0 42.2 14.9 22.5 276 313 A N T 3 S- 0 0 127 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.719 119.2 -78.8 53.7 28.6 41.6 15.9 18.9 277 314 A S T 3 S+ 0 0 48 -3,-0.2 61,-2.6 1,-0.2 2,-0.3 0.912 107.7 104.1 46.4 43.1 39.2 18.7 20.3 278 315 A E E < -J 337 0B 56 -3,-1.3 -3,-0.3 59,-0.3 2,-0.3 -0.983 45.0-178.3-142.0 164.8 36.5 16.2 20.9 279 316 A L E -J 336 0B 4 57,-2.3 57,-3.4 -2,-0.3 2,-0.3 -0.895 20.5-130.2-146.2 169.8 34.9 14.3 23.8 280 317 A T E > -J 335 0B 30 -2,-0.3 4,-2.4 55,-0.2 53,-0.1 -0.946 23.4-125.4-120.6 151.7 32.2 11.7 24.5 281 318 A N H > S+ 0 0 0 53,-0.5 4,-2.6 50,-0.4 5,-0.3 0.902 111.2 56.8 -61.1 -38.2 29.5 12.2 27.1 282 319 A Q H > S+ 0 0 74 50,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.920 111.0 42.3 -57.6 -48.7 30.5 8.9 28.7 283 320 A S H > S+ 0 0 27 49,-0.3 4,-3.1 1,-0.2 5,-0.3 0.913 111.7 54.8 -67.5 -42.1 34.1 10.1 29.2 284 321 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.931 112.7 41.9 -56.0 -48.0 33.1 13.5 30.3 285 322 A L H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.893 114.6 50.5 -69.0 -43.2 30.8 12.1 33.1 286 323 A Q H X S+ 0 0 99 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.935 113.9 45.6 -61.0 -41.3 33.3 9.4 34.2 287 324 A Q H X S+ 0 0 26 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.904 113.9 47.3 -72.2 -39.6 36.1 12.0 34.4 288 325 A G H X>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.3 4,-2.1 0.909 114.2 49.4 -58.7 -43.7 34.0 14.6 36.3 289 326 A D H <>S+ 0 0 29 -4,-2.5 5,-2.0 -5,-0.2 -2,-0.2 0.933 120.3 34.0 -66.4 -45.8 32.8 11.8 38.7 290 327 A N H <5S+ 0 0 85 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 125.2 38.5 -78.6 -43.9 36.3 10.5 39.4 291 328 A Q H <5S+ 0 0 89 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.735 135.1 4.3 -84.5 -25.5 38.4 13.7 39.3 292 329 A I T ><5S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 -82,-0.5 0.707 121.8 53.9-125.2 -58.2 36.1 16.3 41.0 293 330 A c T 3 -k 210 0C 49 -2,-0.3 4,-2.1 -87,-0.1 5,-0.2 -0.542 31.6-143.5 -64.7 123.6 38.5 15.7 48.4 297 334 A W H > S+ 0 0 27 -87,-3.0 4,-3.5 -2,-0.3 5,-0.2 0.916 91.6 50.3 -66.1 -50.3 38.1 19.5 47.7 298 335 A D H > S+ 0 0 96 -88,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.915 113.5 47.2 -57.9 -44.5 41.0 21.0 49.7 299 336 A I H > S+ 0 0 95 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.925 114.1 46.8 -56.8 -46.0 43.5 18.5 48.2 300 337 A L H >X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 3,-0.7 0.939 112.2 50.3 -68.7 -44.1 42.2 19.2 44.7 301 338 A N H 3< S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 105.8 56.6 -58.8 -41.3 42.3 23.0 45.2 302 339 A G H 3< S+ 0 0 59 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.812 111.7 45.1 -56.4 -31.0 45.9 22.7 46.6 303 340 A Q H << S+ 0 0 120 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.754 126.5 24.6 -87.9 -29.3 46.8 21.0 43.2 304 341 A Y >< + 0 0 59 -4,-1.6 3,-1.2 -3,-0.2 -1,-0.2 -0.431 69.9 155.9-133.4 61.6 45.0 23.4 40.8 305 342 A P T 3 + 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.500 67.9 57.3 -75.3 -3.4 44.8 26.6 42.7 306 343 A D T 3 S+ 0 0 152 -3,-0.1 2,-0.8 1,-0.0 -5,-0.0 0.503 77.7 87.5-105.0 -11.7 44.5 28.8 39.5 307 344 A D X - 0 0 45 -3,-1.2 3,-1.3 1,-0.1 4,-0.3 -0.848 56.9-167.4 -94.1 105.3 41.4 27.4 37.7 308 345 A E T 3 S+ 0 0 157 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.533 85.5 54.8 -78.3 0.1 38.6 29.4 39.2 309 346 A Y T > S+ 0 0 116 1,-0.1 3,-1.9 2,-0.1 4,-0.3 0.526 78.6 97.1-103.2 -9.2 36.1 27.1 37.6 310 347 A L G X S+ 0 0 2 -3,-1.3 3,-1.8 1,-0.3 4,-0.3 0.854 78.8 54.8 -43.7 -49.0 37.6 23.9 39.1 311 348 A Y G 3 S+ 0 0 68 -4,-0.3 -102,-0.4 1,-0.3 3,-0.3 0.730 107.7 53.1 -67.4 -14.9 35.1 23.8 42.0 312 349 A Q G <> S+ 0 0 15 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.425 81.1 93.1 -96.2 -0.3 32.3 23.9 39.4 313 350 A Y H <> S+ 0 0 9 -3,-1.8 4,-1.9 -4,-0.3 5,-0.2 0.730 78.8 56.7 -78.4 -17.7 33.4 20.9 37.3 314 351 A c H > S+ 0 0 0 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.950 115.3 39.6 -67.8 -48.9 31.4 18.2 39.0 315 352 A L H > S+ 0 0 0 -108,-0.8 4,-2.8 -4,-0.3 -2,-0.2 0.918 118.2 47.1 -64.0 -46.2 28.2 20.2 38.3 316 353 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.928 112.6 48.0 -70.4 -42.9 29.2 21.3 34.7 317 354 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.945 116.3 46.3 -61.4 -39.5 30.3 17.8 33.6 318 355 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.898 113.8 48.4 -66.3 -39.7 27.0 16.5 35.1 319 356 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.889 108.9 50.9 -70.9 -40.1 25.0 19.3 33.4 320 357 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.927 114.6 45.8 -64.0 -42.6 26.5 18.9 29.9 321 358 A Y H X>S+ 0 0 30 -4,-1.8 4,-3.2 -5,-0.3 5,-1.0 0.937 111.6 50.2 -62.7 -48.5 25.8 15.2 30.1 322 359 A A H <>S+ 0 0 0 -4,-2.6 5,-1.7 3,-0.2 -2,-0.2 0.922 115.4 45.5 -56.8 -45.3 22.2 15.7 31.4 323 360 A L H <>S+ 0 0 0 -4,-2.9 5,-3.1 3,-0.2 6,-0.2 0.961 121.7 33.7 -64.5 -52.4 21.6 18.2 28.6 324 361 A M H <5S+ 0 0 0 -4,-2.8 6,-2.6 3,-0.2 5,-0.2 0.884 131.9 26.7 -74.0 -39.5 23.1 16.2 25.7 325 362 A V T X5S+ 0 0 19 -4,-3.2 4,-0.8 -5,-0.3 -3,-0.2 0.934 132.6 29.3 -96.7 -58.8 22.2 12.7 26.8 326 363 A D T 4 - 0 0 90 1,-0.1 3,-2.3 4,-0.1 -50,-0.4 -0.511 22.1-128.7 -60.9 134.2 24.3 8.5 22.7 332 369 A P T 3 S+ 0 0 36 0, 0.0 -50,-2.9 0, 0.0 -49,-0.3 0.698 109.3 52.0 -58.8 -21.1 26.8 8.7 25.5 333 370 A N T 3 S+ 0 0 112 -52,-0.2 2,-0.2 -53,-0.1 -2,-0.1 0.537 82.4 112.8 -90.5 -4.5 29.4 7.1 23.2 334 371 A Q S < S- 0 0 73 -3,-2.3 -53,-0.5 1,-0.1 2,-0.2 -0.472 73.2-115.4 -74.9 131.5 28.9 9.5 20.3 335 372 A T E - J 0 280B 48 -2,-0.2 -78,-0.6 -55,-0.1 2,-0.5 -0.446 28.4-164.2 -59.8 134.6 31.9 11.8 19.6 336 373 A I E -iJ 257 279B 1 -57,-3.4 -57,-2.3 -2,-0.2 2,-0.3 -0.987 9.2-146.9-120.8 118.9 31.1 15.5 20.2 337 374 A H E -iJ 258 278B 31 -80,-2.8 -78,-3.0 -2,-0.5 2,-0.4 -0.612 12.1-161.1 -80.7 145.3 33.6 18.0 18.6 338 375 A Y E -i 259 0B 14 -61,-2.6 -78,-0.2 -2,-0.3 -80,-0.0 -0.949 21.5-120.2-126.8 147.5 34.2 21.2 20.4 339 376 A I - 0 0 15 -80,-1.9 -78,-0.2 -2,-0.4 4,-0.1 -0.782 39.0-113.3 -84.7 120.1 35.7 24.3 19.0 340 377 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 5,-0.4 -0.203 15.3-133.8 -54.3 143.6 38.9 25.1 20.9 341 378 A P G > S+ 0 0 55 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.890 105.6 62.5 -66.0 -34.9 38.6 28.3 23.0 342 379 A E G 3 S+ 0 0 82 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.300 89.9 72.2 -72.7 6.7 42.0 29.5 21.7 343 380 A Q G < S- 0 0 120 -3,-1.6 -1,-0.3 -4,-0.1 3,-0.1 0.499 91.6-142.1 -96.1 -6.0 40.5 29.4 18.2 344 381 A N < + 0 0 66 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.898 31.8 173.2 48.3 46.1 38.4 32.6 18.8 345 382 A L - 0 0 44 -5,-0.4 2,-0.4 -4,-0.1 -1,-0.2 -0.783 11.0-169.0 -80.3 134.5 35.5 31.2 16.8 346 383 A D > - 0 0 30 -2,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.984 32.7-135.4-134.7 136.6 32.6 33.6 17.2 347 384 A W T >> S+ 0 0 19 -2,-0.4 3,-1.7 1,-0.3 4,-0.7 0.714 97.1 79.9 -57.4 -21.6 28.9 33.4 16.3 348 385 A T H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.731 78.0 70.0 -64.0 -22.4 29.1 37.0 14.9 349 386 A I H <> S+ 0 0 23 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.874 92.3 60.2 -55.5 -37.7 30.6 35.5 11.7 350 387 A G H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.2 0.845 99.6 54.1 -57.1 -33.7 27.1 34.1 11.1 351 388 A V H X>S+ 0 0 0 -4,-0.7 4,-3.0 -3,-0.4 5,-0.6 0.928 106.8 51.2 -67.7 -39.9 25.7 37.6 11.1 352 389 A V H X5S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.964 112.7 46.6 -59.7 -53.2 28.2 38.6 8.3 353 390 A L H <5S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 122.4 34.4 -57.6 -42.4 27.2 35.5 6.3 354 391 A H H <5S+ 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.773 132.9 20.0 -84.0 -33.3 23.4 36.1 6.7 355 392 A R H <5 0 0 78 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.571 360.0 360.0-120.7 -15.2 23.1 39.9 6.7 356 393 A A << 0 0 68 -4,-2.0 -348,-0.1 -5,-0.6 -4,-0.0 -0.334 360.0 360.0 -65.6 360.0 26.1 41.5 5.2