==== 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 4BRM . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 715 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 12.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 2 2 3 3 0 0 0 4 4 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 2 3 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 . 2 1 1 2 0 3 1 2 2 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 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 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 37 A N > 0 0 104 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 98.7 47.1 -0.3 -14.0 2 38 A P G >> + 0 0 48 0, 0.0 4,-1.5 0, 0.0 3,-1.2 0.657 360.0 73.0 -61.9 -20.2 48.3 -1.7 -10.6 3 39 A a G 34 S+ 0 0 30 1,-0.3 5,-0.2 2,-0.2 21,-0.0 0.581 86.0 65.8 -79.4 -8.3 46.2 -4.9 -11.1 4 40 A E G <4 S+ 0 0 150 -3,-1.8 -1,-0.3 1,-0.1 3,-0.1 0.694 117.9 23.2 -79.0 -19.3 48.8 -6.0 -13.7 5 41 A K T <4 S+ 0 0 179 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.2 0.509 126.3 43.8-121.6 -8.1 51.5 -6.3 -11.0 6 42 A H S < S- 0 0 74 -4,-1.5 -1,-0.2 21,-0.1 21,-0.2 -0.959 89.1 -93.4-138.1 148.8 49.4 -6.7 -7.8 7 43 A S E -A 26 0A 63 19,-1.0 19,-1.9 -2,-0.3 2,-0.4 -0.431 44.8-170.0 -58.3 131.0 46.4 -8.8 -6.8 8 44 A a E +A 25 0A 12 17,-0.2 2,-0.3 -5,-0.2 17,-0.2 -0.992 12.5 172.1-128.6 142.0 43.1 -7.0 -7.1 9 45 A I E -A 24 0A 4 15,-2.0 15,-3.3 -2,-0.4 2,-0.4 -0.968 23.7-133.0-134.4 162.7 39.6 -7.6 -6.0 10 46 A A E -Ab 23 77A 0 66,-2.8 68,-2.4 -2,-0.3 2,-0.5 -0.889 17.2-169.1-108.9 137.8 36.3 -5.8 -5.9 11 47 A V E -Ab 22 78A 0 11,-2.4 11,-2.2 -2,-0.4 2,-0.6 -0.994 6.0-158.1-130.3 123.4 34.1 -5.7 -2.9 12 48 A I E -Ab 21 79A 0 66,-3.4 68,-2.7 -2,-0.5 2,-0.9 -0.929 4.7-156.6-105.5 119.5 30.6 -4.4 -3.0 13 49 A D E -Ab 20 80A 22 7,-2.9 7,-2.6 -2,-0.6 2,-1.3 -0.858 9.9-167.6 -87.9 98.3 29.0 -3.1 0.2 14 50 A A E +Ab 19 81A 3 66,-2.5 68,-1.8 -2,-0.9 71,-0.3 -0.679 25.2 165.2 -91.8 81.5 25.3 -3.5 -0.6 15 51 A G - 0 0 13 -2,-1.3 34,-0.5 3,-1.3 35,-0.3 -0.073 50.7 -82.1 -90.4-169.8 23.9 -1.5 2.3 16 52 A S S S+ 0 0 42 1,-0.2 32,-0.5 32,-0.1 3,-0.1 0.832 121.9 30.2 -72.2 -33.6 20.6 0.0 3.1 17 53 A T S S- 0 0 58 1,-0.2 2,-0.3 30,-0.2 -1,-0.2 0.509 129.3 -24.0-106.5 -4.8 20.8 3.4 1.1 18 54 A G - 0 0 5 28,-0.2 -3,-1.3 29,-0.1 2,-0.4 -0.977 62.8 -96.2 178.9-179.1 23.1 2.3 -1.8 19 55 A S E -AC 14 45A 0 26,-2.1 26,-2.4 -2,-0.3 2,-0.5 -0.982 30.1-158.4-119.9 131.2 25.7 -0.0 -3.0 20 56 A R E -AC 13 44A 52 -7,-2.6 -7,-2.9 -2,-0.4 2,-0.5 -0.957 3.0-156.0-118.9 120.5 29.4 1.0 -2.8 21 57 A L E -AC 12 43A 0 22,-3.1 22,-2.1 -2,-0.5 2,-0.4 -0.777 12.8-176.6 -89.7 129.5 31.9 -0.7 -5.1 22 58 A H E -AC 11 42A 2 -11,-2.2 -11,-2.4 -2,-0.5 2,-0.5 -0.981 12.5-158.5-122.7 142.4 35.5 -0.7 -3.9 23 59 A I E -AC 10 41A 0 18,-2.3 17,-3.2 -2,-0.4 18,-1.1 -0.994 16.1-168.1-116.6 127.8 38.4 -2.0 -5.9 24 60 A Y E -AC 9 39A 6 -15,-3.3 -15,-2.0 -2,-0.5 2,-0.3 -0.955 10.7-159.9-117.6 135.2 41.5 -2.9 -3.8 25 61 A S E +AC 8 38A 8 13,-2.8 13,-2.8 -2,-0.4 2,-0.3 -0.762 26.7 152.0-102.7 153.6 45.0 -3.7 -4.8 26 62 A Y E -A 7 0A 20 -19,-1.9 -19,-1.0 -2,-0.3 2,-0.2 -0.982 34.7-131.0-164.6 169.6 47.3 -5.6 -2.5 27 63 A D E - C 0 35A 46 8,-2.6 8,-2.3 -2,-0.3 2,-0.3 -0.645 25.8-123.1-119.5 177.7 50.3 -7.9 -2.0 28 64 A T E - C 0 34A 70 6,-0.3 2,-0.1 -2,-0.2 4,-0.0 -0.953 17.6-145.3-127.3 141.9 50.6 -10.9 0.2 29 65 A D > - 0 0 39 4,-2.1 3,-1.4 -2,-0.3 6,-0.0 -0.222 40.1 -85.9 -98.3-168.7 53.2 -11.6 2.9 30 66 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.539 131.6 53.7 -82.7 -6.5 54.8 -14.9 4.0 31 67 A T T 3 S- 0 0 50 2,-0.2 -1,-0.3 3,-0.0 149,-0.3 0.114 120.9-118.3 -96.1 13.7 52.0 -15.7 6.3 32 68 A N < + 0 0 126 -3,-1.4 -2,-0.2 1,-0.2 -4,-0.0 0.794 67.9 140.9 31.9 47.8 50.0 -15.2 3.1 33 69 A T - 0 0 11 1,-0.0 -4,-2.1 145,-0.0 -1,-0.2 -0.839 59.7 -97.1 -99.2 144.2 48.0 -12.3 4.5 34 70 A P E +C 28 0A 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.340 47.5 172.3 -58.4 141.7 47.2 -9.2 2.4 35 71 A I E +C 27 0A 29 -8,-2.3 -8,-2.6 1,-0.1 3,-0.2 -0.876 56.1 35.8-138.0 168.2 49.5 -6.1 2.9 36 72 A H E S- 0 0 109 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.853 76.1-173.9 54.8 37.4 49.9 -2.8 1.1 37 73 A I E + 0 0 18 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.515 4.7 178.9 -68.0 125.4 46.1 -2.7 0.7 38 74 A E E -C 25 0A 121 -13,-2.8 -13,-2.8 -2,-0.3 2,-0.5 -0.991 27.0-134.7-131.9 134.2 45.1 0.3 -1.5 39 75 A E E +C 24 0A 84 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.746 25.7 172.2 -86.2 128.9 41.7 1.4 -2.7 40 76 A I E + 0 0 49 -17,-3.2 2,-0.3 -2,-0.5 -16,-0.2 0.489 65.7 22.6-118.5 -6.3 41.9 2.3 -6.4 41 77 A W E +C 23 0A 77 -18,-1.1 -18,-2.3 29,-0.1 -1,-0.4 -0.948 55.9 176.4-156.7 147.4 38.2 2.9 -7.2 42 78 A N E +C 22 0A 52 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.914 10.9 164.0-152.5 114.7 35.3 3.7 -5.0 43 79 A K E -C 21 0A 43 -22,-2.1 -22,-3.1 -2,-0.3 2,-0.4 -0.988 14.3-165.4-141.5 133.1 31.8 4.3 -6.5 44 80 A K E -C 20 0A 75 -2,-0.4 2,-0.3 -24,-0.3 -24,-0.2 -0.934 5.5-173.2-114.0 134.9 28.4 4.4 -4.8 45 81 A I E -C 19 0A 14 -26,-2.4 -26,-2.1 -2,-0.4 -2,-0.0 -0.900 24.6 -94.0-118.6 160.0 25.0 4.3 -6.5 46 82 A K S S+ 0 0 108 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.1 -0.805 75.8 36.5-110.2 163.0 21.5 4.6 -5.0 47 83 A P S S- 0 0 26 0, 0.0 -28,-0.2 0, 0.0 -30,-0.2 0.619 86.0 -91.7 -89.8-162.1 19.1 3.3 -3.9 48 84 A G > - 0 0 2 -32,-0.5 3,-1.7 -30,-0.2 4,-0.3 -0.383 32.0-122.7 -67.7 145.4 19.8 0.2 -1.7 49 85 A F G > S+ 0 0 1 -34,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.890 110.4 57.3 -54.6 -40.5 19.8 -3.1 -3.6 50 86 A A G 3 S+ 0 0 22 -35,-0.3 -1,-0.3 1,-0.3 -34,-0.1 0.546 100.6 60.5 -73.1 -0.8 17.0 -4.5 -1.4 51 87 A S G < S+ 0 0 45 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.446 88.2 84.6-108.2 0.0 14.8 -1.7 -2.3 52 88 A I S < S- 0 0 17 -3,-1.6 7,-0.0 -4,-0.3 360,-0.0 -0.604 92.9 -88.3 -96.3 165.5 14.6 -2.2 -6.0 53 89 A Q - 0 0 73 -2,-0.2 2,-2.1 1,-0.1 6,-0.2 -0.514 38.2-125.8 -72.7 130.9 12.2 -4.6 -7.8 54 90 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.387 68.2 113.4 -81.7 67.6 13.7 -8.1 -8.1 55 91 A N S > S- 0 0 68 -2,-2.1 4,-2.3 1,-0.1 5,-0.3 -0.846 77.0-107.3-130.8 168.2 13.4 -8.6 -11.8 56 92 A S H > S+ 0 0 51 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.924 114.2 52.2 -65.5 -43.7 16.0 -9.0 -14.6 57 93 A V H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 115.5 40.9 -59.9 -43.5 15.4 -5.5 -16.2 58 94 A T H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 117.5 45.0 -73.3 -43.9 15.8 -3.7 -12.9 59 95 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.929 112.3 52.8 -67.8 -42.1 18.7 -5.7 -11.5 60 96 A D H X S+ 0 0 49 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.903 111.3 45.4 -57.4 -48.7 20.6 -5.6 -14.9 61 97 A A H X S+ 0 0 61 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.943 114.9 49.0 -61.5 -45.3 20.3 -1.8 -15.1 62 98 A Y H X S+ 0 0 14 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.926 113.4 44.8 -59.8 -51.4 21.4 -1.4 -11.5 63 99 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.939 113.1 51.8 -62.4 -42.5 24.4 -3.7 -11.8 64 100 A T H X S+ 0 0 74 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.911 110.9 48.1 -56.1 -44.4 25.3 -2.0 -15.1 65 101 A M H < S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.925 112.2 48.4 -64.2 -42.9 25.2 1.4 -13.4 66 102 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 118.4 39.3 -63.5 -40.1 27.2 0.3 -10.4 67 103 A L H >< S+ 0 0 6 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.2 0.607 91.1 113.6 -94.8 -13.8 30.0 -1.3 -12.6 68 104 A A T 3< S+ 0 0 35 -4,-1.9 -3,-0.0 -5,-0.3 -4,-0.0 -0.270 80.3 14.4 -43.7 136.5 30.0 1.4 -15.3 69 105 A D T 3 S+ 0 0 127 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.481 81.3 158.3 77.5 1.0 33.1 3.5 -15.7 70 106 A A < - 0 0 8 -3,-1.3 -1,-0.3 1,-0.2 -29,-0.1 -0.350 38.3-145.6 -52.9 132.7 35.1 1.1 -13.6 71 107 A P S S+ 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.679 82.5 46.6 -78.2 -12.6 38.8 1.8 -14.5 72 108 A I + 0 0 13 -71,-0.0 2,-0.3 -69,-0.0 3,-0.1 -0.984 66.4 174.7-132.3 137.9 39.7 -1.8 -14.0 73 109 A H + 0 0 59 -2,-0.4 37,-0.2 1,-0.1 36,-0.0 -0.796 50.3 56.9-132.6 175.3 37.9 -4.9 -15.2 74 110 A N S S+ 0 0 107 35,-4.1 36,-0.2 -2,-0.3 -1,-0.1 0.905 77.2 119.6 67.8 46.8 38.5 -8.7 -15.1 75 111 A I E - d 0 110A 11 34,-0.6 36,-2.4 -3,-0.1 -1,-0.2 -0.865 69.1 -85.2-131.5 166.6 38.9 -9.1 -11.4 76 112 A P E - d 0 111A 46 0, 0.0 -66,-2.8 0, 0.0 2,-0.4 -0.450 41.1-152.4 -71.1 147.6 37.0 -11.1 -8.7 77 113 A V E -bd 10 112A 0 34,-2.6 36,-3.0 -68,-0.2 37,-1.1 -0.990 13.0-164.9-130.0 132.2 34.0 -9.6 -7.1 78 114 A Y E -bd 11 114A 20 -68,-2.4 -66,-3.4 -2,-0.4 2,-0.7 -0.974 7.4-166.9-112.3 115.9 32.5 -10.1 -3.7 79 115 A F E +bd 12 115A 0 35,-2.6 37,-2.3 -2,-0.5 2,-0.6 -0.919 12.9 177.8-107.1 101.8 28.9 -8.8 -3.5 80 116 A Y E -bd 13 116A 0 -68,-2.7 -66,-2.5 -2,-0.7 2,-0.3 -0.946 9.7-165.3-113.7 112.9 28.0 -8.7 0.2 81 117 A A E -bd 14 117A 0 35,-2.4 37,-2.8 -2,-0.6 -66,-0.2 -0.682 10.9-172.8 -93.8 147.3 24.6 -7.3 1.2 82 118 A T >> - 0 0 6 -68,-1.8 4,-1.9 -2,-0.3 3,-1.1 0.040 51.5 -23.1-115.1-132.8 23.9 -6.4 4.8 83 119 A A H 3> S+ 0 0 2 1,-0.3 4,-1.5 2,-0.2 -68,-0.1 0.789 122.3 65.1 -58.9 -34.5 21.0 -5.3 7.0 84 120 A G H 34 S+ 0 0 13 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.924 113.2 35.6 -53.1 -43.2 18.8 -3.9 4.2 85 121 A M H X4 S+ 0 0 3 -3,-1.1 3,-2.1 -71,-0.3 -1,-0.2 0.834 108.3 64.8 -80.8 -34.4 18.6 -7.4 2.8 86 122 A R H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.722 94.0 64.4 -58.9 -24.5 18.5 -9.1 6.2 87 123 A L T 3< S+ 0 0 28 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.589 91.4 83.9 -72.0 -13.8 15.2 -7.3 6.7 88 124 A L S < S- 0 0 46 -3,-2.1 5,-0.1 -4,-0.1 -38,-0.0 -0.649 92.5 -96.4 -94.2 150.4 13.6 -9.3 3.8 89 125 A P >> - 0 0 10 0, 0.0 4,-2.1 0, 0.0 3,-1.5 -0.327 39.0-120.8 -53.8 139.7 12.0 -12.8 3.9 90 126 A Q H 3> S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.833 113.4 60.8 -58.5 -27.0 14.7 -15.2 2.7 91 127 A S H 3> S+ 0 0 58 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.801 107.2 46.4 -70.1 -23.4 12.5 -16.3 -0.2 92 128 A Q H <> S+ 0 0 41 -3,-1.5 4,-1.2 2,-0.2 3,-0.4 0.888 108.9 54.3 -81.8 -42.4 12.6 -12.6 -1.4 93 129 A Q H X S+ 0 0 30 -4,-2.1 4,-2.1 1,-0.2 3,-0.2 0.869 103.3 59.0 -52.3 -37.8 16.3 -12.4 -0.9 94 130 A K H X S+ 0 0 129 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.901 99.3 55.0 -65.0 -38.1 16.6 -15.5 -3.1 95 131 A K H X S+ 0 0 97 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.2 0.879 107.6 51.3 -61.0 -38.3 15.0 -13.8 -6.1 96 132 A Y H X S+ 0 0 7 -4,-1.2 4,-2.7 -3,-0.2 -1,-0.2 0.939 112.4 43.7 -64.7 -51.1 17.6 -11.0 -5.9 97 133 A Y H X S+ 0 0 23 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.871 111.6 54.7 -64.2 -38.0 20.6 -13.3 -5.9 98 134 A D H X S+ 0 0 72 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.928 113.6 42.3 -56.7 -48.2 19.1 -15.5 -8.7 99 135 A E H X S+ 0 0 53 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.942 117.2 45.3 -66.8 -46.3 18.7 -12.5 -10.8 100 136 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.922 112.1 51.3 -68.0 -41.0 22.1 -11.0 -10.0 101 137 A D H X S+ 0 0 49 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.906 109.5 52.6 -62.1 -37.1 24.0 -14.3 -10.3 102 138 A Y H X S+ 0 0 118 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.920 106.5 51.7 -64.2 -43.4 22.3 -14.7 -13.7 103 139 A W H >< S+ 0 0 39 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.936 110.4 48.8 -59.3 -46.3 23.5 -11.2 -14.8 104 140 A F H >< S+ 0 0 8 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.895 106.1 57.3 -61.7 -38.8 27.1 -12.0 -13.8 105 141 A R H 3< S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.736 100.5 57.4 -66.6 -25.3 27.1 -15.3 -15.7 106 142 A Q T << S+ 0 0 118 -4,-1.1 2,-0.3 -3,-0.9 -1,-0.3 0.032 106.1 52.2 -96.2 24.6 26.2 -13.8 -19.0 107 143 A Q < - 0 0 48 -3,-1.4 3,-0.0 3,-0.1 0, 0.0 -0.933 65.4-153.6-143.4 170.1 29.2 -11.4 -19.1 108 144 A S S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 0.316 72.1 80.0-137.4 18.1 32.8 -12.2 -18.7 109 145 A Q S S+ 0 0 85 1,-0.1 -35,-4.1 -5,-0.1 -34,-0.6 0.372 91.3 50.1-106.0 -0.4 34.7 -9.2 -17.4 110 146 A W E S-d 75 0A 6 -6,-0.2 2,-0.8 -36,-0.2 -3,-0.1 -0.990 73.3-148.7-126.4 135.5 33.8 -9.5 -13.7 111 147 A Q E -d 76 0A 108 -36,-2.4 -34,-2.6 -2,-0.4 2,-0.6 -0.898 13.9-146.8-108.3 100.5 34.3 -12.8 -12.0 112 148 A L E +d 77 0A 45 -2,-0.8 -34,-0.2 -36,-0.2 3,-0.1 -0.582 21.7 176.1 -66.9 115.0 31.6 -13.1 -9.3 113 149 A V E - 0 0 59 -36,-3.0 2,-0.3 -2,-0.6 -35,-0.2 0.919 68.1 -9.8 -84.2 -46.7 33.2 -15.1 -6.4 114 150 A E E -d 78 0A 78 -37,-1.1 -35,-2.6 2,-0.0 2,-0.4 -0.983 51.8-171.7-154.7 136.6 30.2 -14.8 -4.0 115 151 A A E +d 79 0A 17 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.951 39.9 118.5-130.9 116.3 26.9 -12.8 -3.8 116 152 A K E -d 80 0A 76 -37,-2.3 -35,-2.4 -2,-0.4 2,-0.6 -0.995 65.2 -90.4-164.7 168.9 25.0 -13.1 -0.6 117 153 A T E -d 81 0A 31 -2,-0.3 2,-0.2 -37,-0.2 -35,-0.2 -0.777 42.7-147.8 -86.6 124.2 23.6 -11.6 2.5 118 154 A I - 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0 0 86 1,-0.2 3,-2.0 -2,-0.1 -50,-0.3 -0.413 25.6-131.9 -55.8 128.1 -10.6 -8.5 26.8 693 369 B P T 3 S+ 0 0 38 0, 0.0 -50,-2.7 0, 0.0 -49,-0.4 0.715 107.0 50.3 -60.2 -15.9 -8.7 -11.5 25.4 694 370 B N T 3 S+ 0 0 106 -52,-0.2 2,-0.3 -53,-0.1 -2,-0.1 0.462 83.3 110.1-100.6 0.4 -12.1 -13.2 25.1 695 371 B Q S < S- 0 0 56 -3,-2.0 -53,-0.5 1,-0.1 -52,-0.1 -0.575 76.3-109.3 -79.5 134.4 -14.0 -10.4 23.2 696 372 B T - 0 0 51 -2,-0.3 -78,-0.6 -55,-0.1 2,-0.5 -0.371 27.4-160.3 -60.3 134.2 -14.9 -11.2 19.6 697 373 B I E -uV 618 640F 0 -57,-3.3 -57,-2.0 -2,-0.1 2,-0.3 -0.972 8.2-150.7-117.9 113.8 -12.9 -9.2 17.0 698 374 B H E -uV 619 639F 28 -80,-2.6 -78,-2.3 -2,-0.5 2,-0.4 -0.646 13.1-166.7 -76.5 135.6 -14.7 -9.2 13.6 699 375 B Y E -u 620 0F 11 -61,-2.4 -78,-0.2 -2,-0.3 -2,-0.0 -0.959 25.5-112.0-123.4 143.0 -12.2 -8.9 10.7 700 376 B I - 0 0 15 -80,-2.3 -78,-0.1 -2,-0.4 5,-0.1 -0.622 43.4 -97.9 -76.0 133.4 -13.3 -8.0 7.1 701 377 B P > - 0 0 25 0, 0.0 3,-1.9 0, 0.0 5,-0.4 -0.309 30.5-131.0 -53.0 131.0 -12.8 -11.0 4.7 702 378 B P G > S+ 0 0 27 0, 0.0 3,-2.6 0, 0.0 -76,-0.1 0.827 101.5 70.8 -56.8 -36.9 -9.4 -10.3 2.9 703 379 B E G 3 S+ 0 0 147 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.652 89.3 63.9 -60.0 -12.7 -11.0 -11.0 -0.5 704 380 B Q G < S- 0 0 79 -3,-1.9 -1,-0.3 2,-0.1 3,-0.2 0.701 90.3-151.7 -80.7 -13.2 -12.8 -7.7 -0.1 705 381 B N < - 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