==== 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 4BRP . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 1412 6 12 11 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1036 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 13.3 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 81 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 385 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.4 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 4 6 6 4 0 0 0 8 6 4 2 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 0 4 4 4 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 1 3 4 0 4 4 3 5 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 4 0 4 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 0 115 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -48.8 66.9 -55.0 21.3 2 39 A a T 4 + 0 0 36 1,-0.2 5,-0.2 2,-0.2 69,-0.0 0.252 360.0 69.8 -85.4 17.3 65.9 -51.8 19.6 3 40 A E T 4 S+ 0 0 193 3,-0.1 -1,-0.2 1,-0.0 4,-0.0 0.820 105.1 35.6 -95.4 -45.7 68.8 -50.1 21.4 4 41 A K T 4 S+ 0 0 194 -3,-0.2 2,-0.3 1,-0.1 -2,-0.2 0.789 130.5 29.7 -74.4 -26.9 71.5 -51.8 19.4 5 42 A H S < S- 0 0 84 -4,-1.3 21,-0.2 21,-0.1 2,-0.1 -0.914 88.2-103.4-131.9 156.9 69.4 -51.9 16.2 6 43 A S E -A 25 0A 52 19,-1.5 19,-1.7 -2,-0.3 2,-0.3 -0.436 38.7-175.8 -76.1 154.1 66.7 -49.7 14.7 7 44 A a E -A 24 0A 8 17,-0.2 2,-0.3 -5,-0.2 17,-0.2 -0.991 9.5-177.4-144.2 145.0 63.1 -50.9 14.8 8 45 A I E -A 23 0A 2 15,-2.4 15,-2.8 -2,-0.3 2,-0.4 -0.993 18.1-139.2-136.5 157.9 59.9 -49.7 13.5 9 46 A A E -Ab 22 76A 0 66,-2.8 68,-1.8 -2,-0.3 2,-0.4 -0.896 16.6-168.4-107.0 138.7 56.3 -50.9 13.8 10 47 A V E -Ab 21 77A 0 11,-2.9 11,-3.0 -2,-0.4 2,-0.6 -0.998 5.8-157.7-126.2 126.4 54.0 -50.8 10.8 11 48 A I E -Ab 20 78A 0 66,-3.0 68,-2.4 -2,-0.4 2,-0.9 -0.926 1.9-159.9-105.3 115.9 50.3 -51.3 11.1 12 49 A D E -Ab 19 79A 27 7,-2.7 7,-2.4 -2,-0.6 2,-1.2 -0.825 5.4-165.6 -89.4 103.3 48.5 -52.4 7.9 13 50 A A E +Ab 18 80A 3 66,-2.4 68,-1.7 -2,-0.9 71,-0.4 -0.667 22.0 172.1 -91.9 83.8 44.8 -51.5 8.4 14 51 A G E > -A 17 0A 14 3,-1.6 3,-0.8 -2,-1.2 34,-0.4 -0.304 47.7 -92.6 -89.0 170.2 43.2 -53.5 5.6 15 52 A S T 3 S+ 0 0 53 1,-0.2 32,-0.5 32,-0.1 3,-0.1 0.814 121.7 30.7 -53.7 -33.9 39.6 -54.2 4.8 16 53 A T T 3 S- 0 0 85 1,-0.2 2,-0.3 30,-0.2 -1,-0.2 0.548 129.9 -19.5-103.3 -6.7 39.3 -57.5 6.8 17 54 A G E < -A 14 0A 3 -3,-0.8 -3,-1.6 28,-0.2 2,-0.4 -0.982 59.5-103.7 176.4 168.3 41.7 -56.9 9.6 18 55 A S E -AC 13 44A 0 26,-1.9 26,-2.3 -2,-0.3 2,-0.5 -0.969 28.7-161.1-120.0 138.1 44.6 -55.0 10.9 19 56 A R E -AC 12 43A 86 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.5 -0.974 5.3-152.3-126.6 123.1 48.1 -56.4 11.0 20 57 A L E -AC 11 42A 0 22,-2.6 22,-1.8 -2,-0.5 2,-0.4 -0.764 14.0-175.3 -89.1 132.6 50.9 -55.2 13.2 21 58 A H E -AC 10 41A 1 -11,-3.0 -11,-2.9 -2,-0.5 2,-0.5 -0.985 8.4-163.2-121.2 132.9 54.4 -55.8 11.9 22 59 A I E -AC 9 40A 0 18,-2.2 17,-2.6 -2,-0.4 18,-1.2 -0.964 13.1-170.3-114.2 129.7 57.5 -54.9 13.9 23 60 A Y E -AC 8 38A 6 -15,-2.8 -15,-2.4 -2,-0.5 2,-0.3 -0.895 11.9-164.3-115.5 135.5 60.8 -54.8 11.9 24 61 A S E +AC 7 37A 20 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.862 22.4 159.6-101.0 157.5 64.5 -54.5 13.1 25 62 A Y E -A 6 0A 21 -19,-1.7 -19,-1.5 -2,-0.3 2,-0.2 -0.977 30.8-131.5-163.4 161.5 67.2 -53.5 10.6 26 63 A D E - C 0 34A 59 8,-2.7 8,-3.1 -2,-0.3 2,-0.4 -0.650 27.7-116.8-105.6 178.1 70.7 -52.1 10.4 27 64 A T E - C 0 33A 78 6,-0.3 4,-0.0 -2,-0.2 5,-0.0 -0.963 20.2-151.4-120.8 127.0 71.9 -49.2 8.2 28 65 A D > - 0 0 49 4,-2.5 3,-1.3 -2,-0.4 6,-0.0 -0.048 44.4 -81.0 -77.0-172.2 74.6 -49.5 5.4 29 66 A D T 3 S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.825 127.5 60.5 -55.7 -36.3 77.0 -46.7 4.1 30 67 A T T 3 S- 0 0 66 2,-0.1 -1,-0.2 1,-0.1 149,-0.2 0.274 117.1-111.3 -81.9 12.2 74.2 -45.1 1.9 31 68 A N S < S+ 0 0 80 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.527 78.4 134.7 68.6 4.9 72.1 -44.5 5.0 32 69 A T - 0 0 16 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.2 -0.645 61.9-104.4 -90.2 140.6 69.7 -47.2 3.6 33 70 A P E +C 27 0A 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.357 42.3 177.9 -64.8 138.6 68.2 -50.0 5.8 34 71 A I E +C 26 0A 61 -8,-3.1 -8,-2.7 1,-0.1 3,-0.1 -0.926 55.3 29.5-134.6 165.7 69.7 -53.6 5.4 35 72 A H E S- 0 0 117 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.887 75.8-172.8 53.8 46.2 69.2 -57.0 7.0 36 73 A I E + 0 0 13 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.508 5.6 178.9 -71.6 127.2 65.6 -56.1 7.6 37 74 A E E -C 24 0A 101 -13,-2.8 -13,-2.3 -2,-0.3 2,-0.6 -0.996 29.4-127.7-135.2 141.3 63.8 -58.8 9.8 38 75 A E E +C 23 0A 69 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.747 27.7 171.8 -85.6 121.8 60.3 -59.2 11.2 39 76 A I E + 0 0 74 -17,-2.6 2,-0.3 -2,-0.6 -16,-0.2 0.495 65.3 25.1-111.0 -7.1 60.4 -59.9 14.9 40 77 A W E +C 22 0A 70 -18,-1.2 -18,-2.2 29,-0.0 2,-0.3 -0.974 58.5 176.6-157.1 149.4 56.8 -59.7 15.7 41 78 A N E +C 21 0A 51 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.913 6.5 164.7-159.5 119.6 53.6 -60.2 13.8 42 79 A K E -C 20 0A 46 -22,-1.8 -22,-2.6 -2,-0.3 2,-0.4 -0.997 13.3-164.3-144.1 136.1 49.9 -60.1 14.9 43 80 A K E -C 19 0A 67 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.957 7.2-175.7-113.1 140.8 46.6 -59.8 13.2 44 81 A I E -C 18 0A 13 -26,-2.3 -26,-1.9 -2,-0.4 21,-0.0 -0.915 23.9 -94.1-122.0 164.3 43.2 -58.9 14.6 45 82 A K S S+ 0 0 138 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.1 -0.888 72.9 30.5-121.9 155.6 39.7 -58.8 13.2 46 83 A P S S- 0 0 67 0, 0.0 -28,-0.2 0, 0.0 -30,-0.2 0.519 85.0 -88.9 -91.3-161.4 37.5 -57.1 11.9 47 84 A G > - 0 0 4 -32,-0.5 3,-2.0 -30,-0.1 4,-0.4 -0.413 26.2-125.2 -75.1 145.6 38.6 -54.2 9.8 48 85 A F G > S+ 0 0 2 -34,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.850 108.4 58.2 -52.5 -40.8 39.2 -50.7 11.3 49 86 A A G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -35,-0.2 -34,-0.1 0.474 100.9 55.6 -73.4 -6.7 36.8 -49.1 8.8 50 87 A S G < S+ 0 0 80 -3,-2.0 -1,-0.3 -35,-0.1 -2,-0.2 0.437 92.7 87.3-100.2 -7.4 33.9 -51.2 9.9 51 88 A I S < S- 0 0 21 -3,-1.4 7,-0.1 -4,-0.4 6,-0.0 -0.546 90.4 -86.1 -96.0 166.3 34.0 -50.4 13.6 52 89 A Q - 0 0 128 -2,-0.2 2,-1.9 1,-0.1 -1,-0.1 -0.483 35.8-133.5 -70.1 134.0 32.4 -47.5 15.5 53 90 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.376 65.8 109.9 -88.0 63.6 34.5 -44.5 15.4 54 91 A N S > S- 0 0 21 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.855 78.8-105.7-126.0 168.1 34.4 -43.5 19.0 55 92 A S H > S+ 0 0 9 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.899 115.1 52.6 -57.3 -49.9 37.0 -43.7 21.7 56 93 A V H > S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 114.0 44.7 -58.1 -37.6 35.7 -46.7 23.7 57 94 A T H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 116.6 43.3 -77.9 -35.5 35.6 -48.8 20.4 58 95 A I H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.813 109.9 55.3 -82.7 -31.5 38.9 -47.8 19.1 59 96 A D H X S+ 0 0 10 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.959 110.8 46.6 -59.8 -50.7 40.7 -48.1 22.5 60 97 A A H X S+ 0 0 57 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.948 113.6 48.8 -58.0 -47.0 39.5 -51.7 22.7 61 98 A Y H X S+ 0 0 14 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.923 116.7 41.7 -59.8 -43.7 40.5 -52.4 19.1 62 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.878 114.2 51.0 -70.6 -37.0 44.1 -50.8 19.6 63 100 A T H X S+ 0 0 40 -4,-2.9 4,-2.3 1,-0.3 5,-0.2 0.939 109.8 50.0 -67.9 -46.9 44.6 -52.4 23.0 64 101 A M H < S+ 0 0 114 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.776 115.5 45.3 -60.8 -29.1 43.7 -55.8 21.6 65 102 A L H < S+ 0 0 0 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.817 127.6 21.5 -83.7 -31.5 46.2 -55.2 18.7 66 103 A L H >< S+ 0 0 6 -4,-2.3 3,-1.1 -3,-0.1 -3,-0.2 0.491 94.3 90.7-118.5 -12.6 49.2 -53.8 20.7 67 104 A A T 3< S+ 0 0 69 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.857 92.5 43.1 -61.6 -37.5 48.8 -55.0 24.4 68 105 A D T 3 S+ 0 0 79 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.419 81.0 124.2 -96.4 4.4 50.8 -58.2 24.1 69 106 A A < - 0 0 3 -3,-1.1 -29,-0.0 1,-0.1 -3,-0.0 -0.477 54.5-148.6 -66.4 132.9 53.6 -56.9 21.9 70 107 A P S S+ 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.420 76.9 71.9 -85.5 2.4 56.9 -57.6 23.6 71 108 A I + 0 0 24 -70,-0.0 2,-0.3 -69,-0.0 3,-0.2 -0.967 59.4 171.7-116.8 128.6 58.6 -54.4 22.1 72 109 A H + 0 0 70 -2,-0.4 37,-0.2 1,-0.2 -70,-0.1 -0.824 48.5 48.2-121.1 166.7 57.8 -50.9 23.4 73 110 A N S S+ 0 0 100 35,-2.6 36,-0.2 -2,-0.3 -1,-0.2 0.948 80.6 116.0 73.2 50.0 59.1 -47.4 22.8 74 111 A I E - d 0 109A 5 34,-0.7 36,-2.1 -3,-0.2 -1,-0.2 -0.910 68.4 -82.3-141.9 169.3 59.4 -47.4 19.0 75 112 A P E - d 0 110A 35 0, 0.0 -66,-2.8 0, 0.0 2,-0.4 -0.530 38.6-155.7 -80.4 149.7 58.0 -45.6 16.2 76 113 A V E -bd 9 111A 1 34,-2.5 36,-2.7 -68,-0.2 37,-1.0 -0.987 10.3-167.3-123.4 135.8 54.7 -46.5 14.7 77 114 A Y E -bd 10 113A 20 -68,-1.8 -66,-3.0 -2,-0.4 2,-0.5 -0.951 8.2-165.8-116.3 129.8 53.3 -46.0 11.2 78 115 A F E +bd 11 114A 0 35,-2.4 37,-2.3 -2,-0.4 2,-0.5 -0.940 12.5 174.1-127.7 107.8 49.6 -46.6 10.9 79 116 A Y E -bd 12 115A 7 -68,-2.4 -66,-2.4 -2,-0.5 2,-0.2 -0.967 14.5-160.1-122.8 113.1 48.5 -46.9 7.3 80 117 A A E -bd 13 116A 0 35,-2.1 37,-2.4 -2,-0.5 -66,-0.2 -0.659 14.9-168.6 -91.1 151.4 44.9 -47.9 6.3 81 118 A T >> - 0 0 10 -68,-1.7 4,-1.5 -2,-0.2 3,-0.6 0.026 50.6 -23.4-120.1-134.7 44.4 -49.2 2.8 82 119 A A H 3> S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -68,-0.1 0.809 122.7 61.3 -64.1 -38.0 41.4 -49.9 0.6 83 120 A G H >4 S+ 0 0 8 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.946 110.9 42.6 -50.8 -51.4 38.6 -50.4 3.2 84 121 A M H X4 S+ 0 0 2 -3,-0.6 3,-1.8 -71,-0.4 -1,-0.3 0.840 103.7 65.5 -65.5 -34.6 39.2 -46.9 4.4 85 122 A R H 3< S+ 0 0 11 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.803 93.1 64.9 -60.5 -22.2 39.4 -45.6 0.8 86 123 A L T << S+ 0 0 32 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.636 92.8 77.1 -71.5 -14.3 35.6 -46.6 0.5 87 124 A L S < S- 0 0 45 -3,-1.8 -38,-0.0 -4,-0.2 2,-0.0 -0.700 89.2-108.6 -97.2 148.9 34.6 -44.1 3.0 88 125 A P >> - 0 0 18 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.360 35.6-105.2 -70.9 161.3 34.3 -40.4 2.4 89 126 A Q H 3> S+ 0 0 111 1,-0.3 4,-2.6 474,-0.2 5,-0.2 0.838 116.5 59.5 -51.6 -40.1 36.9 -38.1 4.0 90 127 A S H 34 S+ 0 0 67 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.739 106.3 45.7 -71.7 -26.2 34.5 -36.9 6.7 91 128 A Q H X> S+ 0 0 52 -3,-1.2 4,-1.0 2,-0.1 3,-0.5 0.847 112.2 54.2 -75.4 -41.7 33.9 -40.4 8.1 92 129 A Q H >X S+ 0 0 15 -4,-1.9 4,-1.8 1,-0.2 3,-0.8 0.903 98.4 59.8 -56.0 -47.8 37.6 -41.0 8.0 93 130 A K H 3X S+ 0 0 125 -4,-2.6 4,-2.8 1,-0.3 5,-0.3 0.849 97.1 62.5 -56.4 -32.8 38.6 -38.0 9.9 94 131 A K H <> S+ 0 0 92 -3,-0.5 4,-1.9 -4,-0.5 -1,-0.3 0.931 105.4 47.1 -56.2 -42.6 36.5 -39.3 12.8 95 132 A Y H < S+ 0 0 35 -4,-3.3 3,-0.9 1,-0.2 -1,-0.2 0.948 109.2 50.7 -61.3 -43.4 44.6 -42.5 21.8 103 140 A F H >< S+ 0 0 10 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.850 108.4 51.8 -68.0 -28.9 48.3 -42.2 20.9 104 141 A R H 3< S+ 0 0 187 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.668 98.7 66.9 -75.3 -20.8 48.7 -39.0 23.0 105 142 A Q T << S+ 0 0 109 -4,-1.1 2,-0.3 -3,-0.9 -1,-0.2 0.390 106.4 42.7 -76.3 1.3 47.2 -40.8 26.1 106 143 A Q < - 0 0 48 -3,-0.9 0, 0.0 -4,-0.2 0, 0.0 -0.954 60.5-152.6-147.8 164.5 50.1 -43.1 26.3 107 144 A S S S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.352 76.2 82.9-124.8 4.2 53.9 -43.0 26.0 108 145 A Q S S+ 0 0 90 -35,-0.1 -35,-2.6 1,-0.1 -34,-0.7 0.796 91.6 48.2 -81.2 -34.4 55.0 -46.5 24.9 109 146 A W E S-d 74 0A 13 -36,-0.2 2,-0.8 -6,-0.2 -3,-0.1 -0.912 71.1-148.8-108.8 139.8 54.4 -46.0 21.2 110 147 A Q E -d 75 0A 93 -36,-2.1 -34,-2.5 -2,-0.4 2,-0.4 -0.908 19.0-146.9-107.8 98.3 55.7 -43.0 19.3 111 148 A L E +d 76 0A 52 -2,-0.8 -34,-0.2 -36,-0.2 3,-0.1 -0.556 24.8 171.8 -64.4 120.6 53.2 -42.2 16.5 112 149 A V E - 0 0 74 -36,-2.7 2,-0.3 -2,-0.4 -35,-0.2 0.836 65.9 -10.2 -94.0 -45.2 54.8 -40.9 13.5 113 150 A E E -d 77 0A 70 -37,-1.0 -35,-2.4 2,-0.0 2,-0.4 -0.989 47.7-171.2-154.9 146.1 51.8 -40.9 11.0 114 151 A A E +d 78 0A 27 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.964 38.4 118.9-135.9 119.0 48.3 -42.3 10.8 115 152 A K E -d 79 0A 78 -37,-2.3 -35,-2.1 -2,-0.4 2,-0.6 -0.987 64.2 -93.7-165.7 171.5 46.6 -42.0 7.5 116 153 A T E -d 80 0A 30 -2,-0.3 2,-0.2 -37,-0.2 -35,-0.2 -0.833 42.9-147.1 -89.0 124.1 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2,-0.4 -0.993 66.4-152.1-148.4 138.2 60.2 -60.3 -15.2 257 294 A W E -ei 146 336B 6 78,-0.5 80,-2.3 -2,-0.3 2,-0.4 -0.927 10.3-174.4-110.4 139.0 56.8 -60.2 -13.5 258 295 A Y E -ei 147 337B 26 -112,-2.7 -110,-2.2 -2,-0.4 2,-0.3 -0.976 5.0-164.6-129.1 142.2 56.1 -61.0 -9.8 259 296 A S E -ei 148 338B 0 78,-1.9 80,-1.6 -2,-0.4 2,-0.3 -0.939 7.0-179.4-124.6 150.4 52.7 -61.2 -8.2 260 297 A I E +e 149 0B 12 -112,-2.0 -110,-1.8 -2,-0.3 3,-0.3 -0.833 46.6 48.1-136.5 169.0 51.6 -61.1 -4.6 261 298 A G E >> S-e 150 0B 30 -2,-0.3 3,-1.5 -112,-0.2 4,-0.7 -0.658 110.2 -8.3 95.6-151.9 48.2 -61.4 -3.0 262 299 A G H 3> S+ 0 0 10 -112,-2.3 4,-2.5 1,-0.3 3,-0.2 0.732 120.0 69.7 -59.4 -28.2 45.5 -63.9 -3.7 263 300 A I H 3> S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.888 94.9 57.2 -64.9 -34.1 47.0 -65.4 -6.7 264 301 A S H <> S+ 0 0 7 -3,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.909 107.8 48.0 -55.3 -43.2 49.7 -67.0 -4.4 265 302 A N H < S+ 0 0 90 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.929 114.1 45.6 -71.1 -37.6 46.9 -68.7 -2.4 266 303 A L H >< S+ 0 0 3 -4,-2.5 3,-2.3 1,-0.2 6,-0.3 0.986 112.1 48.5 -67.1 -52.1 45.2 -70.0 -5.4 267 304 A A H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.646 113.2 47.9 -68.9 -16.2 48.2 -71.3 -7.3 268 305 A S T 3< S+ 0 0 59 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.204 88.1 109.5-108.1 17.9 49.5 -73.1 -4.3 269 306 A S S X S- 0 0 21 -3,-2.3 3,-1.1 1,-0.1 -3,-0.0 -0.420 85.0-101.9 -82.1 175.7 46.3 -74.8 -3.3 270 307 A Q T 3 S+ 0 0 159 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.745 116.7 57.8 -67.6 -25.4 45.8 -78.6 -3.7 271 308 A L T 3 S+ 0 0 10 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.556 100.8 64.8 -85.3 -11.5 43.7 -78.3 -6.9 272 309 A F < - 0 0 9 -3,-1.1 2,-0.5 -6,-0.3 12,-0.1 -0.865 65.7-157.5-112.9 149.9 46.4 -76.4 -8.9 273 310 A H + 0 0 132 -2,-0.3 2,-0.3 2,-0.0 -5,-0.1 -0.985 22.6 156.1-129.8 115.3 49.8 -77.8 -9.9 274 311 A F - 0 0 43 -2,-0.5 3,-0.3 -7,-0.2 2,-0.3 -0.998 27.4-139.3-138.6 145.0 52.7 -75.4 -10.7 275 312 A E S > S+ 0 0 159 -2,-0.3 3,-1.3 3,-0.3 -2,-0.0 -0.763 78.6 10.4-101.1 149.8 56.5 -75.8 -10.6 276 313 A N T 3 S- 0 0 134 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.739 116.5 -78.8 59.9 29.4 59.1 -73.4 -9.4 277 314 A S T 3 S+ 0 0 41 -3,-0.3 61,-2.5 1,-0.2 2,-0.3 0.853 106.7 106.0 54.4 36.7 56.6 -71.1 -7.8 278 315 A E E < -J 337 0B 56 -3,-1.3 2,-0.3 59,-0.3 -3,-0.3 -0.969 44.7-177.4-141.5 158.7 55.7 -69.6 -11.2 279 316 A L E -J 336 0B 5 57,-2.6 57,-3.2 -2,-0.3 2,-0.3 -0.901 21.0-129.3-141.7 176.2 52.8 -69.9 -13.7 280 317 A T E > -J 335 0B 33 -2,-0.3 4,-1.8 55,-0.2 53,-0.2 -0.947 24.4-127.2-122.1 152.1 51.4 -68.9 -17.1 281 318 A N H > S+ 0 0 0 53,-0.6 4,-2.3 50,-0.4 5,-0.3 0.874 108.1 59.5 -63.0 -35.7 48.0 -67.5 -17.7 282 319 A Q H > S+ 0 0 76 50,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.931 110.9 41.6 -61.0 -40.9 47.2 -70.1 -20.3 283 320 A S H > S+ 0 0 24 49,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.808 111.3 54.6 -75.3 -34.8 47.7 -72.9 -17.8 284 321 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.943 110.8 45.7 -61.6 -45.6 46.0 -71.1 -15.0 285 322 A L H X S+ 0 0 24 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 114.5 49.0 -65.3 -42.4 42.8 -70.6 -17.0 286 323 A Q H X S+ 0 0 97 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.946 110.8 47.7 -65.0 -52.0 43.0 -74.2 -18.3 287 324 A Q H X S+ 0 0 28 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.920 112.1 51.5 -57.9 -44.1 43.4 -75.8 -14.8 288 325 A G H X>S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-2.0 0.940 110.0 50.6 -52.4 -47.9 40.6 -73.7 -13.4 289 326 A D H <>S+ 0 0 29 -4,-2.2 5,-2.3 1,-0.2 -2,-0.2 0.930 119.8 32.6 -59.8 -47.9 38.4 -74.8 -16.3 290 327 A N H <5S+ 0 0 84 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.840 123.3 43.6 -83.5 -32.2 39.0 -78.6 -15.9 291 328 A Q H <5S- 0 0 68 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.750 135.3 -1.0 -89.2 -22.0 39.5 -78.8 -12.2 292 329 A I T ><5S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.4 -82,-0.3 0.647 121.3 56.1-129.9 -58.0 36.6 -76.5 -11.0 293 330 A c T 3 > -k 210 0C 78 -87,-0.2 4,-2.7 1,-0.1 3,-1.2 -0.838 25.9-146.5 -88.8 115.7 30.0 -81.2 -10.3 297 334 A W H 3> S+ 0 0 39 -87,-2.8 4,-3.0 -2,-0.6 5,-0.3 0.877 95.6 57.5 -52.2 -46.0 29.8 -79.0 -7.2 298 335 A D H 3> S+ 0 0 80 -88,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.786 114.8 39.2 -60.0 -27.0 28.2 -81.8 -5.0 299 336 A I H <> S+ 0 0 101 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.882 114.5 50.3 -90.3 -39.9 31.2 -84.0 -5.7 300 337 A L H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.872 113.5 47.3 -59.9 -42.6 34.0 -81.4 -5.6 301 338 A N H < S+ 0 0 63 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.831 107.2 56.4 -69.8 -36.1 32.7 -80.2 -2.2 302 339 A G H < S+ 0 0 52 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.846 106.2 52.5 -60.8 -32.8 32.4 -83.7 -0.9 303 340 A Q H < S+ 0 0 118 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 125.9 20.5 -74.8 -32.8 36.1 -84.2 -1.6 304 341 A Y S >< S+ 0 0 63 -4,-1.0 3,-1.8 -5,-0.1 -1,-0.2 -0.328 70.2 164.9-137.1 55.8 37.2 -81.0 0.2 305 342 A P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.420 72.5 45.9 -60.1 154.0 34.6 -79.9 2.8 306 343 A D T 3 S+ 0 0 166 1,-0.2 2,-1.2 2,-0.0 3,-0.1 0.142 80.6 108.0 90.1 -20.3 36.4 -77.3 5.1 307 344 A D < + 0 0 49 -3,-1.8 4,-0.3 -6,-0.2 -1,-0.2 -0.804 45.8 178.2 -83.1 100.2 37.9 -75.6 2.1 308 345 A E S S+ 0 0 56 -2,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.598 74.1 50.1 -81.8 -11.7 35.7 -72.5 2.4 309 346 A Y S > S+ 0 0 165 1,-0.1 3,-2.0 -3,-0.1 -1,-0.2 0.711 84.0 87.6 -97.3 -21.4 37.5 -70.7 -0.6 310 347 A L G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.764 73.2 70.0 -46.1 -43.0 37.3 -73.5 -3.2 311 348 A Y G 3 S+ 0 0 39 -4,-0.3 -102,-0.3 1,-0.3 -1,-0.3 0.691 100.7 49.7 -54.6 -21.8 33.8 -72.5 -4.5 312 349 A Q G <> S+ 0 0 28 -3,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.306 77.8 98.4 -96.9 3.9 35.3 -69.3 -6.1 313 350 A Y H <> S+ 0 0 15 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.843 80.0 56.0 -75.1 -26.0 38.3 -70.8 -7.9 314 351 A c H > S+ 0 0 0 -4,-0.3 4,-1.6 -3,-0.3 -1,-0.2 0.925 113.2 41.8 -66.6 -41.5 36.5 -70.9 -11.2 315 352 A L H > S+ 0 0 0 -108,-0.5 4,-3.3 -4,-0.2 -2,-0.2 0.915 114.6 50.4 -70.2 -43.0 35.8 -67.2 -10.9 316 353 A L H X S+ 0 0 8 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.932 108.4 51.3 -66.7 -45.2 39.3 -66.3 -9.6 317 354 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.958 114.4 45.1 -46.3 -56.0 41.1 -68.2 -12.4 318 355 A S H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.3 -2,-0.2 0.938 113.7 49.6 -63.0 -41.7 39.0 -66.3 -14.9 319 356 A Y H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.921 109.5 49.8 -60.1 -48.7 39.5 -63.0 -13.2 320 357 A Y H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.911 113.6 47.0 -61.4 -40.6 43.2 -63.3 -12.9 321 358 A Y H X>S+ 0 0 29 -4,-2.2 4,-2.8 -5,-0.3 5,-0.8 0.923 112.0 50.5 -66.2 -44.7 43.4 -64.1 -16.6 322 359 A A H X>S+ 0 0 0 -4,-3.0 5,-1.5 -5,-0.2 4,-0.6 0.938 114.6 44.1 -53.8 -49.1 41.1 -61.3 -17.5 323 360 A L H X>S+ 0 0 1 -4,-2.9 5,-2.4 -5,-0.2 4,-0.8 0.981 120.5 37.4 -66.0 -54.0 43.1 -58.8 -15.6 324 361 A M H <5S+ 0 0 0 -4,-2.9 6,-1.9 3,-0.2 5,-0.2 0.881 129.8 26.4 -66.0 -44.1 46.6 -60.0 -16.7 325 362 A V H X5S+ 0 0 19 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.948 130.6 31.4 -90.4 -58.0 45.9 -60.8 -20.3 326 363 A D H < - 0 0 89 -2,-0.2 3,-1.6 1,-0.1 -50,-0.4 -0.442 23.1-130.4 -66.2 137.5 51.0 -62.8 -23.2 332 369 A P T 3 S+ 0 0 32 0, 0.0 -50,-3.0 0, 0.0 -51,-0.4 0.766 108.6 51.2 -57.3 -28.8 49.1 -65.9 -21.9 333 370 A N T 3 S+ 0 0 98 -52,-0.2 2,-0.2 -53,-0.2 -2,-0.1 0.345 84.7 115.9 -94.0 5.3 52.3 -68.0 -22.2 334 371 A Q S < S- 0 0 66 -3,-1.6 -53,-0.6 1,-0.1 2,-0.3 -0.572 72.6-111.1 -77.8 140.0 54.5 -65.5 -20.3 335 372 A T E - J 0 280B 55 -2,-0.2 -78,-0.5 -55,-0.1 2,-0.5 -0.522 30.0-167.9 -70.9 124.2 56.0 -66.7 -17.0 336 373 A I E -iJ 257 279B 0 -57,-3.2 -57,-2.6 -2,-0.3 2,-0.3 -0.966 11.9-147.1-112.8 116.7 54.5 -65.0 -13.9 337 374 A H E -iJ 258 278B 34 -80,-2.3 -78,-1.9 -2,-0.5 2,-0.4 -0.666 13.5-164.2 -81.2 142.1 56.4 -65.6 -10.7 338 375 A Y E -i 259 0B 13 -61,-2.5 -78,-0.2 -2,-0.3 -80,-0.0 -0.991 18.5-124.8-129.8 137.7 54.4 -65.7 -7.5 339 376 A I - 0 0 15 -80,-1.6 -78,-0.1 -2,-0.4 -62,-0.0 -0.552 33.6-113.7 -78.3 138.0 55.8 -65.4 -4.0 340 377 A P > - 0 0 28 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.546 14.8-126.1 -76.6 142.4 54.8 -68.4 -1.7 341 378 A P G > S+ 0 0 42 0, 0.0 3,-2.5 0, 0.0 -76,-0.1 0.854 106.1 64.9 -47.1 -45.4 52.5 -67.8 1.3 342 379 A E G 3 S+ 0 0 154 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.545 92.3 62.1 -63.1 -12.8 55.0 -69.3 3.7 343 380 A Q G < S- 0 0 92 -3,-2.2 -1,-0.3 2,-0.1 -4,-0.0 0.576 92.3-148.5 -85.5 -12.1 57.5 -66.6 3.1 344 381 A N < + 0 0 114 -3,-2.5 2,-0.6 -4,-0.3 -2,-0.1 0.875 29.2 170.9 46.9 49.7 55.0 -64.0 4.5 345 382 A L + 0 0 32 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.2 -0.815 4.3 164.4 -83.9 125.4 56.2 -61.2 2.2 346 383 A D > - 0 0 39 -2,-0.6 3,-1.8 -217,-0.1 4,-0.3 -0.980 49.5-103.7-141.2 170.7 54.1 -58.1 2.3 347 384 A W T >> S+ 0 0 14 -2,-0.3 3,-1.6 1,-0.3 4,-0.6 0.623 101.2 81.8 -55.8 -23.0 54.2 -54.6 1.4 348 385 A T H >> S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.747 81.5 66.5 -61.1 -22.5 54.8 -53.2 4.9 349 386 A I H X> S+ 0 0 19 -3,-1.8 4,-1.1 1,-0.3 3,-0.9 0.856 91.1 64.2 -70.3 -24.7 58.5 -54.0 4.6 350 387 A G H <> S+ 0 0 0 -3,-1.6 4,-2.0 -225,-0.3 -1,-0.3 0.818 91.9 63.5 -63.0 -26.9 58.6 -51.3 1.9 351 388 A V H << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.860 97.5 55.5 -69.4 -30.7 57.6 -48.8 4.6 352 389 A V H << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.7 3,-0.2 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24.6 -52.9 -19.8 587 274 B S T < + 0 0 61 -4,-0.3 4,-1.3 -6,-0.3 -4,-0.3 0.908 39.7 159.2 53.6 46.7 23.1 -56.6 -19.5 591 278 B V H >> + 0 0 0 -6,-1.9 4,-2.8 1,-0.2 3,-0.6 0.978 67.2 55.4 -65.9 -52.4 20.1 -54.8 -18.1 592 279 B N H 3> S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.869 108.1 48.1 -43.7 -50.1 19.0 -53.4 -21.4 593 280 B Q H 34 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.835 117.5 39.9 -67.9 -34.6 18.8 -56.8 -23.1 594 281 B Q H << S+ 0 0 79 -4,-1.3 4,-0.3 -3,-0.6 -1,-0.2 0.824 125.3 30.6 -86.2 -35.3 16.9 -58.5 -20.4 595 282 B I H X S+ 0 0 0 -4,-2.8 4,-1.7 82,-0.2 3,-0.4 0.889 107.5 60.5 -97.9 -41.3 14.4 -55.8 -19.5 596 283 B Q H X S+ 0 0 83 -4,-1.6 4,-1.8 -5,-0.4 5,-0.2 0.883 100.7 53.6 -60.5 -49.5 13.6 -53.6 -22.6 597 284 B P H > S+ 0 0 74 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.910 112.1 48.7 -55.2 -31.1 12.2 -56.3 -24.8 598 285 B L H > S+ 0 0 23 -3,-0.4 4,-0.7 -4,-0.3 -2,-0.2 0.856 109.1 49.3 -78.4 -31.3 9.8 -57.2 -22.0 599 286 B L H < S+ 0 0 24 -4,-1.7 -1,-0.2 1,-0.2 5,-0.2 0.749 107.6 56.5 -72.4 -27.5 8.6 -53.6 -21.2 600 287 B A H < S+ 0 0 74 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.850 113.6 38.8 -67.0 -40.8 7.9 -53.1 -24.9 601 288 B L H < S+ 0 0 139 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.494 128.8 32.3 -90.3 -7.8 5.6 -56.1 -25.0 602 289 B N S < S- 0 0 31 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.472 86.0-164.1-143.0 68.6 4.0 -55.4 -21.6 603 290 B P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.167 12.7-128.6 -64.2 152.3 3.9 -51.8 -21.1 604 291 B V - 0 0 18 -5,-0.2 -109,-0.2 1,-0.1 3,-0.1 -0.838 7.9-158.1 -97.4 133.1 3.4 -50.2 -17.7 605 292 B N S S+ 0 0 123 -111,-1.1 2,-0.4 -2,-0.4 -110,-0.2 0.816 80.2 15.5 -75.4 -32.9 0.7 -47.4 -17.1 606 293 B E E -q 495 0F 94 -112,-2.0 -110,-2.2 2,-0.0 2,-0.4 -0.986 67.3-147.5-147.3 138.6 2.3 -46.0 -13.9 607 294 B W E -qu 496 686F 8 78,-0.5 80,-1.9 -2,-0.4 2,-0.4 -0.838 12.0-173.5-103.1 138.2 5.7 -46.3 -12.3 608 295 B Y E -qu 497 687F 26 -112,-1.4 -110,-2.9 -2,-0.4 2,-0.3 -0.994 3.5-166.2-129.6 135.3 6.6 -46.2 -8.6 609 296 B S E +qu 498 688F 0 78,-2.9 80,-1.6 -2,-0.4 2,-0.3 -0.823 7.1 178.1-115.3 156.5 9.9 -46.2 -6.9 610 297 B I E +q 499 0F 11 -112,-1.5 -110,-2.5 -2,-0.3 2,-0.3 -0.933 45.1 49.6-144.4 159.8 11.1 -46.8 -3.3 611 298 B G E >> S-q 500 0F 28 -2,-0.3 3,-1.1 -112,-0.2 4,-0.7 -0.811 110.7 -8.9 110.2-152.7 14.5 -46.8 -1.7 612 299 B G H 3> S+ 0 0 10 -112,-2.1 4,-2.2 -2,-0.3 5,-0.2 0.683 120.5 71.6 -61.8 -22.2 17.2 -44.2 -2.0 613 300 B I H 3> S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.912 93.9 55.0 -68.5 -35.1 15.5 -42.3 -4.7 614 301 B S H <> S+ 0 0 8 -3,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.879 109.2 48.6 -56.0 -37.9 12.9 -41.0 -2.2 615 302 B N H < S+ 0 0 93 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.897 114.1 44.1 -76.7 -36.1 15.7 -39.7 -0.0 616 303 B L H >< S+ 0 0 3 -4,-2.2 3,-1.9 1,-0.2 6,-0.2 0.973 113.9 48.4 -71.7 -51.4 17.5 -37.9 -2.8 617 304 B A H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.752 113.8 47.5 -66.8 -21.1 14.4 -36.4 -4.4 618 305 B S T 3< S+ 0 0 57 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.272 88.8 106.4-106.6 18.6 13.1 -35.1 -1.1 619 306 B S S X S- 0 0 20 -3,-1.9 3,-1.0 -4,-0.1 -3,-0.1 -0.355 86.2-101.2 -81.5 174.7 16.4 -33.5 0.1 620 307 B Q T 3 S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.731 114.6 63.1 -68.1 -23.9 16.9 -29.8 0.2 621 308 B L T 3 S+ 0 0 10 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.594 98.9 61.4 -86.5 -9.2 19.0 -29.6 -2.9 622 309 B F < - 0 0 11 -3,-1.0 2,-0.5 -6,-0.2 12,-0.0 -0.856 64.7-156.9-114.3 153.0 16.3 -30.9 -5.2 623 310 B H + 0 0 130 -2,-0.3 2,-0.3 2,-0.0 -5,-0.1 -0.993 26.0 151.5-128.2 114.6 12.9 -29.4 -5.9 624 311 B F - 0 0 41 -2,-0.5 3,-0.3 -7,-0.2 2,-0.2 -0.973 31.1-137.6-140.8 145.7 10.1 -31.7 -7.2 625 312 B E S > S+ 0 0 159 -2,-0.3 3,-1.4 1,-0.2 740,-0.1 -0.593 75.2 11.7 -95.9 156.9 6.3 -31.3 -6.7 626 313 B N T 3 S- 0 0 132 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.570 117.0 -75.1 61.0 15.3 3.7 -33.8 -5.9 627 314 B S T 3 S+ 0 0 36 -3,-0.3 61,-2.2 1,-0.3 2,-0.3 0.910 106.3 99.6 66.7 40.6 6.1 -36.6 -4.9 628 315 B E E < -V 687 0F 57 -3,-1.4 2,-0.3 59,-0.3 -1,-0.3 -0.946 44.7-177.1-148.7 162.4 7.1 -37.4 -8.5 629 316 B L E -V 686 0F 6 57,-2.0 57,-3.7 -2,-0.3 2,-0.4 -0.941 20.7-128.7-150.5 175.5 9.9 -36.7 -10.9 630 317 B T E > -V 685 0F 27 -2,-0.3 4,-2.2 55,-0.2 3,-0.2 -0.967 25.2-125.2-124.6 150.7 11.2 -37.2 -14.4 631 318 B N H > S+ 0 0 0 53,-0.5 4,-3.0 51,-0.5 5,-0.3 0.896 107.6 56.7 -58.9 -44.5 14.6 -38.5 -15.2 632 319 B Q H > S+ 0 0 79 50,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.873 111.7 45.0 -55.7 -37.3 15.6 -35.5 -17.5 633 320 B S H > S+ 0 0 24 49,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.905 110.9 50.9 -80.9 -38.9 14.9 -33.2 -14.6 634 321 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.922 113.1 46.9 -55.7 -47.0 16.6 -35.3 -12.0 635 322 B L H X S+ 0 0 25 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.906 113.6 49.4 -63.0 -41.7 19.7 -35.5 -14.2 636 323 B Q H X S+ 0 0 103 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.933 111.5 46.7 -66.0 -47.7 19.5 -31.8 -14.9 637 324 B Q H X S+ 0 0 28 -4,-3.1 4,-3.1 2,-0.2 5,-0.4 0.938 113.0 50.0 -59.9 -49.2 19.2 -30.7 -11.2 638 325 B G H X>S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-1.9 0.955 110.4 50.4 -51.1 -51.2 22.0 -33.0 -10.2 639 326 B D H <>S+ 0 0 29 -4,-2.3 5,-2.0 -5,-0.2 -1,-0.2 0.899 121.5 32.0 -58.0 -42.7 24.3 -31.6 -12.9 640 327 B N H <5S+ 0 0 87 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.830 124.6 41.1 -86.2 -36.5 23.6 -27.9 -11.9 641 328 B Q H <5S+ 0 0 68 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.612 135.9 4.0 -91.8 -16.5 23.1 -28.2 -8.2 642 329 B I T ><5S+ 0 0 0 -4,-2.3 3,-1.2 -5,-0.4 -82,-0.3 0.595 121.3 52.1-129.0 -56.9 25.9 -30.7 -7.4 643 330 B f T 3 > -w 560 0G 76 -87,-0.2 4,-2.7 1,-0.1 3,-0.8 -0.803 26.6-147.4 -85.7 115.5 32.6 -26.1 -5.9 647 334 B W H 3> S+ 0 0 35 -87,-2.6 4,-3.8 -2,-0.6 5,-0.4 0.882 95.2 57.4 -53.0 -44.0 32.7 -28.7 -3.2 648 335 B D H 3> S+ 0 0 111 -88,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.858 114.7 38.8 -60.8 -33.4 34.4 -26.4 -0.7 649 336 B I H <> S+ 0 0 106 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.906 116.7 49.0 -80.5 -45.8 31.4 -24.0 -1.0 650 337 B L H X S+ 0 0 6 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.880 113.7 46.9 -60.2 -42.0 28.7 -26.6 -1.3 651 338 B N H < S+ 0 0 66 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.823 109.2 55.1 -72.1 -32.4 30.1 -28.4 1.8 652 339 B G H < S+ 0 0 51 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.2 0.840 105.6 53.2 -62.2 -35.6 30.3 -25.1 3.6 653 340 B Q H < S+ 0 0 119 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.811 124.4 22.4 -72.7 -32.1 26.6 -24.5 3.0 654 341 B Y S >< S+ 0 0 68 -4,-1.1 3,-1.5 -5,-0.1 -1,-0.2 -0.375 72.1 166.6-135.2 56.4 25.4 -27.8 4.4 655 342 B P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.371 70.3 46.2 -61.9 158.4 27.9 -29.2 6.7 656 343 B D T 3 S+ 0 0 79 1,-0.2 2,-0.9 748,-0.0 3,-0.1 0.328 80.0 112.1 82.1 -6.9 26.2 -32.1 8.7 657 344 B D < + 0 0 57 -3,-1.5 4,-0.3 -6,-0.2 -1,-0.2 -0.872 44.0 179.9 -89.4 102.9 24.7 -33.6 5.5 658 345 B E S S+ 0 0 72 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.623 76.1 48.2 -80.9 -11.2 26.8 -36.8 5.4 659 346 B Y S > S+ 0 0 44 1,-0.1 3,-2.2 2,-0.1 4,-0.2 0.757 83.5 90.8-100.2 -24.7 25.1 -38.0 2.1 660 347 B L G > S+ 0 0 7 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.718 73.2 69.7 -40.0 -43.0 25.4 -34.8 -0.1 661 348 B Y G 3 S+ 0 0 32 -4,-0.3 -102,-0.4 1,-0.3 3,-0.3 0.719 99.6 49.2 -55.9 -23.7 28.8 -35.7 -1.6 662 349 B Q G <> S+ 0 0 28 -3,-2.2 4,-3.5 1,-0.2 -1,-0.3 0.356 78.3 97.6 -97.8 -2.0 27.3 -38.5 -3.7 663 350 B Y H <> S+ 0 0 17 -3,-1.9 4,-2.6 2,-0.2 5,-0.3 0.832 80.8 55.8 -67.7 -27.2 24.3 -36.8 -5.3 664 351 B f H > S+ 0 0 0 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.967 115.5 39.8 -62.9 -45.1 26.1 -36.1 -8.5 665 352 B L H > S+ 0 0 0 -108,-0.6 4,-2.5 -4,-0.2 -2,-0.2 0.920 115.9 48.8 -69.6 -45.1 26.8 -39.8 -8.7 666 353 B L H X S+ 0 0 7 -4,-3.5 4,-2.9 2,-0.2 5,-0.3 0.940 110.5 51.3 -65.4 -42.1 23.4 -40.9 -7.5 667 354 B S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.961 113.5 45.7 -49.8 -58.7 21.6 -38.6 -9.9 668 355 B S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.868 112.6 52.5 -54.4 -36.4 23.6 -40.0 -12.8 669 356 B Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.937 106.1 49.3 -72.4 -48.4 23.0 -43.5 -11.6 670 357 B Y H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.912 111.1 51.9 -57.6 -39.8 19.3 -43.5 -11.3 671 358 B Y H X>S+ 0 0 30 -4,-2.0 4,-2.9 -5,-0.3 5,-0.9 0.914 110.6 47.6 -61.8 -46.3 19.2 -42.0 -14.8 672 359 B A H X>S+ 0 0 0 -4,-2.1 5,-1.3 3,-0.2 4,-0.5 0.948 115.5 45.1 -58.1 -49.8 21.4 -44.8 -16.2 673 360 B L H <>S+ 0 0 0 -4,-2.7 5,-2.4 3,-0.2 -2,-0.2 0.931 122.0 34.4 -62.0 -51.4 19.4 -47.5 -14.6 674 361 B M H <5S+ 0 0 0 -4,-2.7 6,-2.1 3,-0.2 -2,-0.2 0.857 131.2 27.6 -77.0 -37.8 15.9 -46.2 -15.4 675 362 B V H <5S+ 0 0 18 -4,-2.9 4,-0.4 -5,-0.3 -3,-0.2 0.923 132.9 26.8 -92.7 -56.2 16.6 -44.7 -18.9 676 363 B D T < - 0 0 82 -2,-0.2 3,-1.6 1,-0.1 -50,-0.4 -0.334 23.6-130.1 -61.0 134.4 11.4 -42.3 -21.4 682 369 B P T 3 S+ 0 0 32 0, 0.0 -50,-1.8 0, 0.0 -51,-0.5 0.818 108.3 50.2 -53.5 -30.7 13.4 -39.5 -19.7 683 370 B N T 3 S+ 0 0 103 -52,-0.2 2,-0.2 -53,-0.2 -2,-0.1 0.498 82.8 111.9 -85.8 -4.1 10.2 -37.4 -19.7 684 371 B Q S < S- 0 0 64 -3,-1.6 -53,-0.5 1,-0.1 2,-0.4 -0.506 75.0-112.2 -77.7 142.5 7.8 -40.0 -18.1 685 372 B T E - V 0 630F 59 -2,-0.2 2,-0.6 -55,-0.1 -78,-0.5 -0.605 29.2-162.0 -77.2 124.0 6.6 -39.1 -14.7 686 373 B I E -uV 607 629F 0 -57,-3.7 -57,-2.0 -2,-0.4 2,-0.3 -0.943 10.3-143.4-110.4 117.8 8.0 -41.5 -12.0 687 374 B H E -uV 608 628F 38 -80,-1.9 -78,-2.9 -2,-0.6 2,-0.4 -0.593 15.1-165.6 -79.7 133.5 6.1 -41.5 -8.6 688 375 B Y E -u 609 0F 13 -61,-2.2 -78,-0.2 -2,-0.3 -80,-0.0 -0.956 21.2-123.4-122.5 138.3 8.1 -41.9 -5.4 689 376 B I - 0 0 15 -80,-1.6 -78,-0.2 -2,-0.4 -62,-0.1 -0.638 35.3-115.3 -78.4 129.3 6.8 -42.8 -2.0 690 377 B P > - 0 0 26 0, 0.0 3,-1.4 0, 0.0 5,-0.4 -0.374 15.0-124.7 -67.3 148.0 7.8 -40.1 0.5 691 378 B P G > S+ 0 0 42 0, 0.0 3,-2.0 0, 0.0 -76,-0.1 0.874 106.5 65.5 -54.4 -42.9 10.1 -41.1 3.5 692 379 B E G 3 S+ 0 0 128 1,-0.3 676,-0.0 2,-0.1 -3,-0.0 0.552 92.8 62.4 -62.0 -12.4 7.6 -39.9 6.1 693 380 B Q G < S- 0 0 90 -3,-1.4 -1,-0.3 2,-0.1 675,-0.0 0.605 91.2-148.9 -86.8 -14.9 5.1 -42.7 5.1 694 381 B N < + 0 0 108 -3,-2.0 2,-0.6 -4,-0.3 -2,-0.1 0.890 30.2 169.0 49.5 46.4 7.5 -45.4 6.0 695 382 B L + 0 0 26 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.802 4.9 159.9 -84.3 125.4 6.3 -47.8 3.4 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> -i 916 0K 88 -2,-0.2 4,-2.6 -87,-0.2 3,-0.8 -0.744 28.2-149.1 -84.3 114.4 1.0 -23.7 57.7 1003 334 C W H 3> S+ 0 0 26 -87,-3.1 4,-3.3 -2,-0.7 5,-0.3 0.821 91.6 53.0 -51.2 -45.5 1.2 -26.2 54.9 1004 335 C D H 3> S+ 0 0 109 -88,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.808 115.4 40.6 -67.2 -32.8 2.8 -29.1 56.8 1005 336 C I H <> S+ 0 0 110 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.884 116.1 50.3 -80.2 -42.7 0.2 -29.0 59.5 1006 337 C L H X S+ 0 0 3 -4,-2.6 4,-1.2 2,-0.2 3,-0.4 0.953 112.5 46.2 -60.0 -47.5 -2.6 -28.5 57.1 1007 338 C N H < S+ 0 0 60 -4,-3.3 -1,-0.2 1,-0.3 3,-0.2 0.869 110.2 55.4 -68.0 -32.7 -1.5 -31.4 55.0 1008 339 C G H < S+ 0 0 50 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.839 105.3 53.3 -55.0 -39.4 -1.1 -33.4 58.1 1009 340 C Q H < S+ 0 0 121 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.767 124.4 22.6 -75.7 -28.2 -4.8 -32.7 59.0 1010 341 C Y S >< S+ 0 0 60 -4,-1.2 3,-1.6 -3,-0.2 -1,-0.3 -0.497 73.3 167.1-136.1 61.6 -6.1 -33.9 55.6 1011 342 C P T 3 S+ 0 0 73 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.418 71.1 43.5 -65.1 161.9 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