==== 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 4BRC . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 720 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 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 . 80 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 26.8 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 4 2 0 0 0 4 4 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 2 2 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 . 2 1 1 2 0 2 2 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 95 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 100.3 69.8 4.4 -20.7 2 38 A P G >> + 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-1.1 0.830 360.0 69.4 -60.4 -22.8 66.1 5.0 -19.7 3 39 A a G 34 S+ 0 0 33 1,-0.3 5,-0.2 2,-0.2 69,-0.0 0.516 84.9 65.4 -84.2 -2.7 67.0 8.4 -18.4 4 40 A E G <4 S+ 0 0 157 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 0.656 115.0 29.5 -85.7 -18.6 67.7 9.9 -21.8 5 41 A K T <4 S+ 0 0 164 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.464 125.8 39.0-115.6 -5.1 64.0 9.6 -22.8 6 42 A H S < S- 0 0 74 -4,-1.1 2,-0.2 21,-0.1 21,-0.2 -0.973 89.8 -96.3-138.7 151.7 62.3 9.9 -19.3 7 43 A S E -A 26 0A 60 19,-1.6 19,-2.3 -2,-0.3 2,-0.4 -0.517 43.0-169.0 -63.9 139.3 62.9 12.0 -16.2 8 44 A a E +A 25 0A 15 17,-0.2 2,-0.3 -5,-0.2 17,-0.2 -0.996 13.1 169.8-132.5 137.5 64.9 10.2 -13.6 9 45 A I E -A 24 0A 6 15,-1.9 15,-2.7 -2,-0.4 2,-0.5 -0.968 25.8-133.9-134.6 157.5 65.7 11.0 -9.9 10 46 A A E -Ab 23 77A 0 66,-2.9 68,-2.3 -2,-0.3 2,-0.4 -0.945 21.1-173.7-106.6 131.5 67.3 9.0 -7.1 11 47 A V E -Ab 22 78A 0 11,-2.5 11,-2.2 -2,-0.5 2,-0.5 -0.995 8.6-156.0-124.1 134.4 65.6 8.9 -3.7 12 48 A I E -Ab 21 79A 0 66,-2.7 68,-2.5 -2,-0.4 2,-1.1 -0.958 8.8-150.5-110.7 119.0 67.1 7.3 -0.6 13 49 A D E -Ab 20 80A 6 7,-2.4 7,-2.1 -2,-0.5 2,-1.6 -0.866 13.8-165.4 -76.7 97.8 64.9 6.2 2.2 14 50 A A E +Ab 19 81A 5 66,-2.6 68,-1.9 -2,-1.1 71,-0.3 -0.693 25.3 177.4 -88.9 76.6 67.5 6.7 5.0 15 51 A G - 0 0 5 -2,-1.6 34,-0.5 3,-1.6 35,-0.3 -0.223 43.3 -99.9 -84.6 175.6 65.4 4.6 7.4 16 52 A S S S+ 0 0 33 1,-0.2 32,-0.6 32,-0.1 3,-0.1 0.825 119.8 29.7 -71.0 -29.9 66.1 3.6 11.0 17 53 A T S S- 0 0 57 1,-0.3 2,-0.3 30,-0.2 -1,-0.2 0.497 132.1 -17.3-105.6 -2.6 67.4 -0.0 10.2 18 54 A G - 0 0 2 -3,-0.2 -3,-1.6 28,-0.2 2,-0.4 -0.959 61.3-103.8 175.9 165.0 68.8 0.6 6.7 19 55 A S E -AC 14 45A 0 26,-2.0 26,-2.5 28,-0.3 2,-0.5 -0.923 24.5-162.5-111.3 139.5 69.1 2.8 3.7 20 56 A R E -AC 13 44A 54 -7,-2.1 -7,-2.4 -2,-0.4 2,-0.5 -0.974 3.8-159.1-125.6 114.4 67.3 2.0 0.4 21 57 A L E -AC 12 43A 0 22,-3.2 22,-2.1 -2,-0.5 2,-0.4 -0.806 13.6-180.0 -88.5 130.7 68.4 3.7 -2.8 22 58 A H E -AC 11 42A 1 -11,-2.2 -11,-2.5 -2,-0.5 2,-0.5 -0.999 16.9-158.5-126.5 135.4 65.8 3.8 -5.7 23 59 A I E -AC 10 41A 0 18,-2.4 17,-2.6 -2,-0.4 18,-1.2 -0.976 20.2-165.2-105.5 123.9 66.3 5.4 -9.1 24 60 A Y E -AC 9 39A 6 -15,-2.7 -15,-1.9 -2,-0.5 2,-0.3 -0.950 10.9-160.0-108.4 136.3 62.9 6.1 -10.6 25 61 A S E +AC 8 38A 11 13,-2.7 13,-2.5 -2,-0.4 2,-0.3 -0.812 24.9 158.7-102.1 152.2 62.1 6.9 -14.2 26 62 A Y E -A 7 0A 20 -19,-2.3 -19,-1.6 -2,-0.3 2,-0.2 -0.988 32.2-137.7-163.8 160.2 58.8 8.6 -15.0 27 63 A D E - C 0 35A 49 8,-2.5 8,-2.5 -2,-0.3 2,-0.4 -0.592 27.6-125.6-104.4-176.4 57.0 10.8 -17.6 28 64 A T E - C 0 34A 54 6,-0.3 2,-0.1 -2,-0.2 -2,-0.0 -0.966 9.3-133.5-135.5 148.1 54.7 13.7 -16.8 29 65 A D > - 0 0 43 4,-2.3 3,-2.4 -2,-0.4 6,-0.1 -0.131 53.1 -72.1 -85.2-169.3 51.2 14.6 -17.6 30 66 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.590 134.4 50.1 -68.4 -7.0 50.0 18.0 -18.9 31 67 A T T 3 S- 0 0 94 2,-0.2 -1,-0.3 3,-0.0 149,-0.1 0.220 119.8-105.4-111.1 14.0 50.5 19.6 -15.4 32 68 A N S < S+ 0 0 123 -3,-2.4 -2,-0.1 1,-0.3 0, 0.0 0.692 74.4 143.2 68.2 24.0 54.1 18.2 -15.0 33 69 A T - 0 0 22 1,-0.1 -4,-2.3 322,-0.0 -1,-0.3 -0.760 56.7-102.2 -93.7 132.0 52.9 15.6 -12.5 34 70 A P E +C 28 0A 9 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.265 45.0 168.1 -58.9 139.0 54.6 12.3 -12.7 35 71 A I E +C 27 0A 28 -8,-2.5 -8,-2.5 1,-0.1 0, 0.0 -0.884 58.6 36.4-133.7 167.2 53.0 9.3 -14.3 36 72 A H E S- 0 0 111 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.855 74.7-173.8 60.3 39.6 54.5 5.9 -15.4 37 73 A I E + 0 0 7 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.503 6.3 175.9 -72.4 125.2 56.8 5.8 -12.3 38 74 A E E -C 25 0A 115 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.6 -0.996 31.0-128.8-132.2 137.0 59.1 2.7 -12.6 39 75 A E E +C 24 0A 68 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.775 29.5 171.0 -81.5 122.7 62.0 1.7 -10.4 40 76 A I E + 0 0 55 -17,-2.6 2,-0.3 -2,-0.6 -16,-0.2 0.518 64.6 20.2-112.3 -8.5 65.0 1.0 -12.6 41 77 A W E +C 23 0A 59 -18,-1.2 -18,-2.4 29,-0.1 2,-0.3 -0.965 61.3 173.2-155.1 141.3 67.7 0.6 -9.9 42 78 A N E +C 22 0A 56 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.996 4.6 173.1-148.9 149.0 67.7 -0.3 -6.3 43 79 A K E -C 21 0A 49 -22,-2.1 -22,-3.2 -2,-0.3 2,-0.4 -0.966 11.8-160.2-147.4 141.6 70.3 -1.0 -3.6 44 80 A K E -C 20 0A 109 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.937 7.6-176.4-122.9 149.5 69.8 -1.5 0.1 45 81 A I E -C 19 0A 23 -26,-2.5 -26,-2.0 -2,-0.4 -2,-0.0 -0.960 19.6-112.3-138.0 153.2 72.4 -1.3 2.9 46 82 A K S S+ 0 0 140 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.2 -0.902 70.8 42.3-124.1 159.4 72.3 -1.9 6.7 47 83 A P S S- 0 0 40 0, 0.0 -28,-0.3 0, 0.0 -30,-0.2 0.538 89.9 -89.6 -82.0-163.8 72.5 -0.6 9.4 48 84 A G >> - 0 0 1 -32,-0.6 3,-2.1 -30,-0.2 4,-0.6 -0.439 29.8-126.3 -66.7 141.0 70.6 2.7 9.6 49 85 A F G >4 S+ 0 0 2 -34,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.870 109.9 56.6 -51.3 -43.1 72.6 5.9 8.7 50 86 A A G 34 S+ 0 0 21 -35,-0.3 -1,-0.3 1,-0.3 -34,-0.1 0.341 101.8 58.6 -80.3 5.8 71.8 7.5 12.0 51 87 A S G <4 S+ 0 0 52 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.563 89.8 83.9-103.3 -15.4 73.3 4.6 13.9 52 88 A I S << S- 0 0 2 -3,-1.1 361,-0.1 -4,-0.6 7,-0.0 -0.407 95.0 -84.4 -88.9 164.4 76.8 4.7 12.6 53 89 A Q - 0 0 32 1,-0.1 2,-1.9 -2,-0.1 6,-0.2 -0.484 36.8-132.8 -67.6 129.8 79.7 6.9 13.8 54 90 A P + 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.298 65.2 120.8 -84.3 57.3 79.4 10.3 12.1 55 91 A N S > S- 0 0 55 -2,-1.9 4,-2.5 1,-0.1 5,-0.3 -0.754 75.5-111.4-114.9 158.7 83.1 10.5 11.1 56 92 A S H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.890 113.3 53.9 -61.9 -37.9 84.4 10.8 7.5 57 93 A V H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 115.0 38.6 -61.5 -47.9 85.9 7.3 7.4 58 94 A T H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 116.6 48.9 -68.9 -43.3 82.6 5.5 8.3 59 95 A I H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.907 111.8 51.6 -67.5 -39.4 80.3 7.8 6.4 60 96 A D H X S+ 0 0 78 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.909 110.0 47.7 -60.3 -47.9 82.5 7.4 3.3 61 97 A A H X S+ 0 0 62 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.914 114.3 47.9 -60.0 -40.9 82.5 3.6 3.5 62 98 A Y H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.939 114.9 42.4 -70.5 -49.6 78.7 3.6 4.0 63 99 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.891 111.9 55.7 -64.8 -38.7 77.8 6.0 1.1 64 100 A T H X S+ 0 0 64 -4,-2.6 4,-0.6 -5,-0.3 -2,-0.2 0.955 110.7 45.0 -56.7 -44.7 80.3 4.3 -1.2 65 101 A M H >< S+ 0 0 107 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.922 114.6 47.3 -64.7 -46.4 78.7 0.9 -0.6 66 102 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.5 43.3 -66.3 -34.1 75.1 2.2 -1.1 67 103 A L H 3< S+ 0 0 9 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.353 89.8 112.6-104.2 13.0 75.8 4.2 -4.3 68 104 A A << + 0 0 31 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.381 66.6 21.4 -85.4 154.5 78.0 1.6 -6.2 69 105 A D S S+ 0 0 134 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.295 72.7 150.6 79.8 2.5 77.3 -0.3 -9.5 70 106 A A - 0 0 12 -3,-0.5 -1,-0.2 1,-0.1 -29,-0.1 -0.339 41.2-146.7 -70.0 134.4 74.6 2.0 -10.9 71 107 A P S S+ 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.163 74.4 73.0 -90.2 25.0 74.6 1.9 -14.7 72 108 A I - 0 0 20 -71,-0.1 3,-0.3 -70,-0.0 2,-0.2 -0.999 68.3-144.7-138.6 138.0 73.5 5.6 -15.1 73 109 A H + 0 0 133 -2,-0.4 37,-0.2 1,-0.2 36,-0.1 -0.585 68.5 16.0-100.1 155.8 75.5 8.8 -14.5 74 110 A N S S+ 0 0 114 35,-2.7 36,-0.2 -2,-0.2 -1,-0.2 0.694 72.6 162.6 63.6 31.7 74.7 12.3 -13.2 75 111 A I E - d 0 110A 8 34,-0.5 36,-2.5 -3,-0.3 2,-0.2 -0.565 41.9-114.7 -83.5 136.7 71.3 11.4 -11.6 76 112 A P E - d 0 111A 35 0, 0.0 -66,-2.9 0, 0.0 2,-0.4 -0.572 32.6-146.0 -70.2 140.8 70.0 14.0 -9.0 77 113 A V E -bd 10 112A 0 34,-2.7 36,-2.7 -2,-0.2 37,-1.7 -0.910 18.3-169.3-118.1 129.9 69.8 12.6 -5.5 78 114 A Y E -bd 11 114A 35 -68,-2.3 -66,-2.7 -2,-0.4 2,-0.7 -0.983 11.2-167.6-115.0 111.0 67.3 13.3 -2.7 79 115 A F E -bd 12 115A 0 35,-3.2 37,-2.1 -2,-0.5 2,-0.5 -0.912 10.2-178.9-103.8 107.7 68.6 11.8 0.6 80 116 A Y E -bd 13 116A 6 -68,-2.5 -66,-2.6 -2,-0.7 2,-0.3 -0.946 9.6-159.1-120.2 117.6 65.7 11.8 3.2 81 117 A A E -bd 14 117A 2 35,-2.4 37,-2.5 -2,-0.5 -66,-0.2 -0.691 9.4-166.6 -94.2 150.7 66.2 10.5 6.7 82 118 A T >> - 0 0 6 -68,-1.9 4,-1.6 -2,-0.3 3,-1.0 0.113 50.9 -32.4-115.1-139.4 63.4 9.4 9.0 83 119 A A H 3> S+ 0 0 2 1,-0.3 4,-1.2 2,-0.2 -68,-0.1 0.746 122.8 64.3 -67.6 -28.7 62.8 8.6 12.7 84 120 A G H 34 S+ 0 0 12 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.922 110.6 40.5 -54.4 -40.7 66.3 7.2 13.4 85 121 A M H X4 S+ 0 0 2 -3,-1.0 3,-1.9 -71,-0.3 -2,-0.2 0.844 106.9 63.6 -73.2 -37.5 67.7 10.6 12.7 86 122 A R H 3< S+ 0 0 14 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.684 90.8 67.3 -67.4 -15.6 64.8 12.4 14.5 87 123 A L T 3< S+ 0 0 16 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.643 93.0 75.3 -69.6 -14.0 65.9 10.8 17.8 88 124 A L S < S- 0 0 36 -3,-1.9 5,-0.1 -4,-0.1 -38,-0.0 -0.751 90.4-108.7-102.3 146.3 69.0 12.9 17.6 89 125 A P >> - 0 0 14 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.283 36.9-104.7 -70.6 159.7 69.3 16.6 18.4 90 126 A Q H 3> S+ 0 0 132 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.851 118.6 58.8 -56.9 -37.9 69.8 19.0 15.5 91 127 A S H 3> S+ 0 0 82 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.854 109.2 44.7 -63.2 -29.8 73.5 19.6 16.4 92 128 A Q H <> S+ 0 0 68 -3,-1.1 4,-1.2 2,-0.2 3,-0.4 0.871 110.3 53.8 -80.8 -37.4 74.2 15.8 16.1 93 129 A Q H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.882 102.5 60.6 -57.4 -41.8 72.2 15.5 12.8 94 130 A K H X S+ 0 0 119 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.834 96.8 58.3 -56.7 -37.2 74.4 18.4 11.4 95 131 A K H X S+ 0 0 100 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.932 108.5 46.2 -60.2 -45.0 77.5 16.3 11.9 96 132 A Y H X S+ 0 0 14 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.931 115.0 45.5 -62.6 -48.3 76.1 13.6 9.6 97 133 A Y H X S+ 0 0 24 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.881 110.3 53.2 -70.2 -32.0 74.9 16.0 6.9 98 134 A D H X S+ 0 0 72 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.931 113.7 43.9 -64.5 -42.5 78.1 18.0 6.9 99 135 A E H X S+ 0 0 60 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.904 114.5 49.1 -69.5 -43.1 80.1 14.8 6.3 100 136 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 110.4 51.4 -63.2 -41.7 77.6 13.5 3.7 101 137 A D H X S+ 0 0 46 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.905 110.0 49.2 -62.7 -43.0 77.7 16.8 1.8 102 138 A Y H X S+ 0 0 126 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.931 108.5 53.8 -59.7 -44.2 81.5 16.7 1.7 103 139 A W H >< S+ 0 0 35 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.932 108.4 48.6 -54.7 -48.8 81.4 13.2 0.4 104 140 A F H >< S+ 0 0 10 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.915 106.6 57.1 -63.6 -33.7 79.1 14.1 -2.5 105 141 A R H 3< S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.719 101.5 58.6 -69.7 -13.6 81.4 17.1 -3.3 106 142 A Q T << S+ 0 0 111 -4,-1.0 2,-0.3 -3,-1.0 -1,-0.3 0.350 103.4 57.4 -94.0 -0.2 84.4 14.8 -3.8 107 143 A Q < - 0 0 46 -3,-1.5 0, 0.0 -4,-0.2 0, 0.0 -0.824 60.2-153.4-132.6 173.5 82.8 12.6 -6.5 108 144 A S S S+ 0 0 113 -2,-0.3 -34,-0.2 3,-0.1 3,-0.1 0.160 75.5 79.9-134.1 7.5 81.3 13.1 -9.9 109 145 A Q S S+ 0 0 47 1,-0.2 -35,-2.7 -36,-0.1 -34,-0.5 0.875 93.4 38.2 -85.8 -49.1 78.8 10.3 -10.4 110 146 A W E -d 75 0A 12 -36,-0.2 2,-0.7 -37,-0.2 -1,-0.2 -0.802 69.0-140.1-108.7 150.1 75.8 11.6 -8.5 111 147 A Q E -d 76 0A 120 -36,-2.5 -34,-2.7 -2,-0.3 2,-0.3 -0.869 19.3-145.4-106.0 103.4 74.4 15.0 -8.2 112 148 A L E +d 77 0A 32 -2,-0.7 -34,-0.1 -36,-0.2 3,-0.1 -0.493 27.5 165.7 -68.1 130.2 73.3 15.7 -4.6 113 149 A V E + 0 0 58 -36,-2.7 2,-0.4 1,-0.4 -35,-0.2 0.764 65.4 0.6-106.4 -48.6 70.2 18.0 -4.5 114 150 A E E +d 78 0A 73 -37,-1.7 -35,-3.2 2,-0.0 -1,-0.4 -0.999 50.1 178.3-144.8 143.1 68.9 17.6 -0.9 115 151 A A E +d 79 0A 17 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.879 36.3 120.4-138.8 113.1 70.0 15.7 2.2 116 152 A K E -d 80 0A 84 -37,-2.1 -35,-2.4 -2,-0.3 2,-0.5 -0.967 62.2 -90.8-164.1 166.8 67.8 16.3 5.2 117 153 A T E -d 81 0A 30 -2,-0.3 2,-0.2 -37,-0.2 -35,-0.2 -0.829 39.3-147.5 -86.7 130.3 65.6 14.8 7.9 118 154 A I - 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0 0 81 0, 0.0 2,-0.5 0, 0.0 -109,-0.2 -0.224 11.9-134.7 -56.0 142.9 64.7 0.8 54.9 616 291 B V - 0 0 18 1,-0.1 -109,-0.2 -5,-0.1 3,-0.2 -0.820 12.2-165.3 -94.9 128.9 67.9 2.3 53.4 617 292 B N S S+ 0 0 84 -111,-1.7 2,-0.4 -2,-0.5 -110,-0.2 0.805 77.7 24.8 -83.2 -28.8 69.6 4.7 55.8 618 293 B E E -q 507 0F 63 -112,-2.1 -110,-2.8 2,-0.0 2,-0.4 -0.987 69.7-157.9-141.0 124.5 71.9 6.3 53.2 619 294 B W E -qu 508 698F 10 78,-0.6 80,-2.8 -2,-0.4 2,-0.4 -0.883 9.8-174.4-100.5 135.1 71.3 6.4 49.4 620 295 B Y E -qu 509 699F 39 -112,-2.4 -110,-2.2 -2,-0.4 2,-0.4 -0.961 4.5-165.8-126.7 140.1 74.2 6.8 47.0 621 296 B S E +qu 510 700F 0 78,-1.9 80,-2.1 -2,-0.4 2,-0.2 -0.966 8.9 179.0-126.5 149.7 73.9 7.3 43.3 622 297 B I E +q 511 0F 4 -112,-2.4 -110,-2.7 -2,-0.4 3,-0.4 -0.776 44.8 52.6-135.5 172.1 76.3 7.1 40.4 623 298 B G E >> S-q 512 0F 26 84,-0.3 3,-1.6 -2,-0.2 4,-0.9 -0.612 109.9 -13.9 92.0-155.7 75.7 7.6 36.6 624 299 B G H 3> S+ 0 0 17 -112,-3.0 4,-2.5 1,-0.3 3,-0.4 0.789 124.1 67.5 -63.1 -24.0 74.1 10.5 34.7 625 300 B I H 3> S+ 0 0 0 -3,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.852 97.1 56.3 -63.8 -32.1 72.5 12.0 37.8 626 301 B S H <> S+ 0 0 6 -3,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.888 109.8 45.4 -61.0 -44.5 76.1 12.9 39.1 627 302 B N H < S+ 0 0 90 -4,-0.9 4,-0.4 -3,-0.4 -2,-0.2 0.918 115.2 45.7 -65.2 -44.6 76.7 14.8 35.9 628 303 B L H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 6,-0.3 0.947 112.4 50.3 -63.9 -45.9 73.4 16.6 35.9 629 304 B A H 3< S+ 0 0 2 -4,-2.6 7,-0.3 1,-0.3 -1,-0.2 0.753 114.3 44.8 -68.5 -26.3 73.6 17.5 39.6 630 305 B S T 3< S+ 0 0 61 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.293 92.5 110.1-100.4 9.1 77.1 19.0 39.2 631 306 B S S X S- 0 0 20 -3,-1.4 3,-0.8 -4,-0.4 -3,-0.1 -0.146 86.2-103.3 -71.9 175.9 76.4 20.9 36.0 632 307 B Q T 3 S+ 0 0 130 1,-0.2 -1,-0.1 3,-0.1 -4,-0.1 0.611 116.8 60.1 -76.3 -8.4 76.2 24.6 35.8 633 308 B L T 3 S+ 0 0 4 -5,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.550 100.7 54.3 -94.7 -16.8 72.4 24.5 35.7 634 309 B F < - 0 0 4 -3,-0.8 2,-0.5 -6,-0.3 12,-0.1 -0.920 66.8-152.4-120.7 155.6 71.8 22.8 39.0 635 310 B H + 0 0 109 -2,-0.3 2,-0.3 2,-0.0 -5,-0.1 -0.952 26.9 149.9-140.0 103.8 72.9 23.9 42.5 636 311 B F - 0 0 33 -2,-0.5 3,-0.3 -7,-0.3 2,-0.2 -0.987 30.6-138.3-132.0 150.7 73.5 21.5 45.3 637 312 B E S > S+ 0 0 140 -2,-0.3 3,-1.4 3,-0.3 -2,-0.0 -0.670 78.8 16.0-104.2 156.9 75.8 21.5 48.3 638 313 B N T 3 S- 0 0 133 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.741 118.9 -76.5 58.8 27.6 77.9 18.6 49.7 639 314 B S T 3 S+ 0 0 45 -3,-0.3 61,-2.6 1,-0.2 2,-0.3 0.876 106.6 106.3 49.0 43.7 77.4 16.4 46.6 640 315 B E E < +V 699 0F 56 -3,-1.4 2,-0.3 59,-0.3 -3,-0.3 -0.990 42.6 179.5-146.8 158.1 73.8 15.5 47.6 641 316 B L E -V 698 0F 5 57,-2.5 57,-3.2 -2,-0.3 2,-0.3 -0.837 21.5-130.9-140.3 170.4 70.3 16.4 46.6 642 317 B T E > -V 697 0F 31 -2,-0.3 4,-2.6 55,-0.2 5,-0.2 -0.958 26.3-122.3-119.3 156.1 66.7 15.7 47.4 643 318 B N H > S+ 0 0 0 53,-0.5 4,-2.6 50,-0.4 5,-0.2 0.908 111.8 56.3 -60.9 -38.4 64.1 14.7 44.8 644 319 B Q H > S+ 0 0 111 50,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.916 111.6 42.3 -60.3 -44.4 61.9 17.7 45.8 645 320 B S H > S+ 0 0 38 49,-0.3 4,-2.9 1,-0.2 5,-0.3 0.901 112.2 54.1 -69.9 -38.4 64.7 20.1 45.2 646 321 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.923 111.6 44.9 -57.5 -47.9 65.8 18.4 41.9 647 322 B L H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.912 113.8 49.3 -66.8 -40.6 62.2 18.6 40.5 648 323 B Q H X S+ 0 0 93 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.938 112.6 47.5 -65.2 -41.8 61.8 22.2 41.5 649 324 B Q H X S+ 0 0 11 -4,-2.9 4,-2.9 1,-0.2 5,-0.5 0.930 113.4 47.6 -66.6 -43.1 65.1 23.2 40.0 650 325 B G H X>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.3 4,-1.5 0.941 112.9 49.8 -63.0 -41.7 64.4 21.4 36.8 651 326 B D H <>S+ 0 0 25 -4,-2.8 5,-2.3 -5,-0.2 -2,-0.2 0.937 123.6 27.5 -61.0 -46.2 60.9 23.0 36.6 652 327 B N H <5S+ 0 0 75 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.774 124.8 44.3 -94.7 -25.7 62.0 26.6 37.2 653 328 B Q H <5S+ 0 0 57 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.699 135.7 4.1 -90.7 -15.4 65.6 26.6 35.8 654 329 B I T ><5S+ 0 0 0 -4,-1.5 3,-1.5 -5,-0.5 -82,-0.3 0.659 123.5 51.1-128.2 -66.4 64.9 24.6 32.7 655 330 B f T 3 -w 572 0G 54 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.731 33.4-138.7 -77.3 122.7 62.4 30.3 27.0 659 334 B W H > S+ 0 0 22 -87,-3.3 4,-3.1 -2,-0.6 5,-0.3 0.878 95.8 46.3 -55.5 -54.0 64.6 27.8 25.0 660 335 B D H > S+ 0 0 98 -88,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.915 115.4 47.6 -60.1 -37.5 66.6 30.2 22.8 661 336 B I H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.953 115.5 43.4 -66.6 -47.0 67.3 32.5 25.7 662 337 B L H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.933 113.7 51.5 -66.8 -43.2 68.4 29.7 28.0 663 338 B N H < S+ 0 0 70 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.904 110.1 49.9 -60.6 -40.1 70.5 28.0 25.2 664 339 B G H < S+ 0 0 59 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.850 110.8 50.5 -65.5 -35.7 72.2 31.3 24.5 665 340 B Q H < S+ 0 0 117 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 121.1 31.5 -69.6 -34.6 73.0 31.7 28.3 666 341 B Y >< + 0 0 74 -4,-2.1 3,-0.7 1,-0.1 -1,-0.2 -0.692 68.9 157.0-127.3 75.7 74.5 28.2 28.7 667 342 B P T 3 + 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.599 62.5 65.2 -78.3 -10.5 76.2 27.3 25.4 668 343 B D T 3 S+ 0 0 152 1,-0.1 2,-0.6 2,-0.0 -5,-0.0 0.381 77.3 83.2-105.5 12.0 78.6 24.8 26.7 669 344 B D X - 0 0 35 -3,-0.7 3,-1.9 1,-0.1 4,-0.3 -0.903 52.7-165.6-117.8 105.2 76.5 21.9 28.0 670 345 B E T 3 S+ 0 0 126 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.651 90.8 57.7 -65.7 -12.3 75.4 19.4 25.3 671 346 B Y T > S+ 0 0 84 1,-0.2 3,-1.9 2,-0.1 4,-0.5 0.494 76.2 100.5 -92.1 -5.0 72.8 17.9 27.9 672 347 B L G X S+ 0 0 2 -3,-1.9 3,-1.7 1,-0.3 4,-0.3 0.875 76.4 54.7 -48.2 -49.4 71.0 21.3 28.4 673 348 B Y G 3 S+ 0 0 35 -4,-0.3 -102,-0.3 1,-0.3 -1,-0.3 0.697 110.3 47.7 -63.3 -19.6 68.2 20.5 26.1 674 349 B Q G <> S+ 0 0 25 -3,-1.9 4,-2.8 1,-0.1 -1,-0.3 0.402 82.8 94.5 -96.2 -3.3 67.4 17.3 28.1 675 350 B Y H <> S+ 0 0 9 -3,-1.7 4,-2.1 -4,-0.5 5,-0.2 0.755 81.9 53.1 -71.1 -26.2 67.5 18.7 31.6 676 351 B f H > S+ 0 0 0 -4,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.947 117.1 40.3 -63.3 -50.2 63.8 19.3 32.0 677 352 B L H > S+ 0 0 0 -108,-0.7 4,-2.6 -4,-0.3 -2,-0.2 0.896 116.4 49.4 -60.9 -48.2 63.2 15.7 30.9 678 353 B L H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.915 110.0 47.8 -69.9 -42.9 66.0 14.2 33.0 679 354 B S H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.907 115.7 48.4 -60.0 -42.1 65.3 15.9 36.3 680 355 B S H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.913 112.5 48.8 -59.6 -42.7 61.6 14.8 35.8 681 356 B Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.889 107.9 51.8 -66.6 -44.5 62.7 11.3 35.0 682 357 B Y H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.918 112.9 46.6 -60.3 -39.9 65.0 10.9 38.0 683 358 B Y H X>S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 5,-1.2 0.925 111.7 50.3 -66.1 -45.9 62.2 12.0 40.3 684 359 B A H <>S+ 0 0 0 -4,-2.5 5,-1.8 3,-0.2 -2,-0.2 0.933 114.8 45.5 -57.7 -42.1 59.7 9.6 38.5 685 360 B L H <>S+ 0 0 0 -4,-2.7 5,-2.7 3,-0.2 4,-0.2 0.964 122.3 33.1 -66.0 -53.9 62.2 6.7 39.0 686 361 B M H <5S+ 0 0 0 -4,-2.8 6,-2.7 3,-0.2 -2,-0.2 0.884 130.7 28.6 -74.8 -44.2 63.2 7.3 42.6 687 362 B V T X5S+ 0 0 16 -4,-2.7 4,-0.7 -5,-0.3 -3,-0.2 0.938 132.4 28.6 -83.2 -57.5 60.0 8.7 44.1 688 363 B D T 4 - 0 0 82 1,-0.2 3,-2.2 -2,-0.1 -50,-0.4 -0.495 21.3-131.1 -60.0 130.1 60.6 10.1 50.1 694 369 B P T 3 S+ 0 0 34 0, 0.0 -50,-2.6 0, 0.0 -49,-0.3 0.746 109.1 53.9 -50.0 -25.6 60.9 13.4 48.0 695 370 B N T 3 S+ 0 0 87 -52,-0.2 2,-0.3 -53,-0.1 -2,-0.1 0.512 84.8 111.8 -91.4 -0.3 62.5 14.9 51.1 696 371 B Q S < S- 0 0 58 -3,-2.2 -53,-0.5 1,-0.1 2,-0.2 -0.462 71.9-116.1 -80.5 135.2 65.2 12.2 51.5 697 372 B T E - V 0 642F 44 -2,-0.3 -78,-0.6 -55,-0.1 2,-0.5 -0.458 25.5-164.4 -67.9 132.7 68.9 13.1 50.8 698 373 B I E -uV 619 641F 0 -57,-3.2 -57,-2.5 -2,-0.2 2,-0.3 -0.994 10.6-147.5-117.4 113.8 70.5 11.2 47.9 699 374 B H E -uV 620 640F 29 -80,-2.8 -78,-1.9 -2,-0.5 2,-0.4 -0.631 12.7-161.6 -73.4 145.7 74.3 11.4 47.8 700 375 B Y E -u 621 0F 11 -61,-2.6 -78,-0.2 -2,-0.3 -80,-0.0 -0.990 20.7-120.6-125.4 140.7 75.8 11.5 44.3 701 376 B I - 0 0 8 -80,-2.1 -78,-0.1 -2,-0.4 5,-0.1 -0.594 37.1-106.0 -78.5 131.5 79.5 10.6 43.7 702 377 B P > - 0 0 17 0, 0.0 3,-1.9 0, 0.0 5,-0.4 -0.356 22.5-131.5 -57.0 136.4 81.3 13.6 42.0 703 378 B P G > S+ 0 0 34 0, 0.0 3,-2.1 0, 0.0 4,-0.1 0.817 102.5 70.8 -57.7 -33.6 82.0 12.8 38.2 704 379 B E G 3 S+ 0 0 144 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.652 86.6 67.4 -57.4 -23.5 85.7 13.8 38.7 705 380 B Q G < S- 0 0 87 -3,-1.9 -1,-0.3 2,-0.1 -4,-0.0 0.613 93.1-142.9 -76.8 -12.6 86.2 10.7 40.7 706 381 B N < + 0 0 43 -3,-2.1 2,-0.5 -4,-0.2 -2,-0.1 0.845 37.8 166.5 56.3 36.4 85.7 8.4 37.7 707 382 B L + 0 0 34 -5,-0.4 -84,-0.3 -4,-0.1 2,-0.3 -0.744 2.3 148.0 -86.8 123.1 83.9 5.9 39.9 708 383 B D > - 0 0 19 -2,-0.5 3,-1.4 -86,-0.1 4,-0.3 -0.840 64.4 -81.5-139.2-179.0 82.0 3.2 38.1 709 384 B W T >> S+ 0 0 3 -2,-0.3 3,-1.4 1,-0.2 4,-0.7 0.602 105.4 90.9 -61.7 -13.5 81.2 -0.4 38.8 710 385 B T H >> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.799 75.2 66.1 -61.1 -25.4 84.6 -1.6 37.6 711 386 B I H <> S+ 0 0 12 -3,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.877 95.3 60.4 -57.8 -34.5 86.1 -1.4 41.1 712 387 B G H <> S+ 0 0 0 -3,-1.4 4,-2.2 -225,-0.3 -1,-0.2 0.852 100.2 53.4 -59.2 -39.2 83.6 -4.2 42.0 713 388 B V H << S+ 0 0 1 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.892 104.4 55.2 -64.0 -39.2 85.3 -6.4 39.4 714 389 B V H < S+ 0 0 1 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.942 116.6 37.5 -56.0 -46.4 88.7 -5.8 41.0 715 390 B L H < S+ 0 0 15 -4,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.766 128.3 26.5 -74.0 -31.8 87.3 -7.0 44.3 716 391 B H < - 0 0 50 -4,-2.2 -1,-0.2 -5,-0.1 -226,-0.0 -0.927 57.7-179.1-145.8 106.5 85.0 -9.9 43.2 717 392 B R + 0 0 91 -2,-0.4 -1,-0.1 -3,-0.2 -4,-0.1 0.724 50.6 103.1 -85.6 -22.3 85.8 -11.8 39.9 718 393 B A - 0 0 64 1,-0.0 2,-0.3 -235,-0.0 -2,-0.0 -0.318 51.3-164.1 -68.2 143.7 82.8 -14.2 39.9 719 394 B L - 0 0 40 1,-0.0 -2,-0.0 -2,-0.0 -240,-0.0 -0.853 36.6 -79.6-119.2 158.6 79.9 -13.6 37.6 720 395 B E 0 0 61 -2,-0.3 -240,-0.1 1,-0.1 -1,-0.0 -0.331 360.0 360.0 -55.4 139.3 76.3 -15.1 37.6 721 396 B H 0 0 156 -3,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.849 360.0 360.0 -98.0 360.0 76.3 -18.7 36.0