==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-SEP-06 2IAG . COMPND 2 MOLECULE: PROSTACYCLIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.-W.CHIANG,H.-C.YEH,L.-H.WANG,N.-L.CHAN . 939 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 668 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 9.7 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 40 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 3 3 3 0 0 0 2 0 6 1 3 2 2 2 4 0 0 0 0 1 0 0 2 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 10 5 0 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 5 2 0 0 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 23 A R 0 0 76 0, 0.0 2,-0.4 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 94.5 83.0 48.8 11.6 2 24 A T - 0 0 117 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.962 360.0 -97.2-119.8 144.9 84.5 45.6 10.5 3 25 A R - 0 0 133 -2,-0.4 3,-0.1 7,-0.1 7,-0.0 -0.403 34.2-149.8 -63.0 129.5 85.3 42.7 12.9 4 26 A R > - 0 0 118 343,-0.1 3,-2.0 -2,-0.1 343,-0.1 -0.574 41.6 -75.6 -87.0 160.0 88.8 42.6 14.2 5 27 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 341,-0.0 -0.374 120.8 16.7 -58.7 134.8 90.3 39.2 15.2 6 28 A G T 3 S+ 0 0 38 1,-0.3 341,-2.1 340,-0.1 -3,-0.0 0.331 95.1 129.3 86.4 -6.1 88.9 38.0 18.5 7 29 A E < - 0 0 6 -3,-2.0 -1,-0.3 339,-0.3 341,-0.1 -0.425 62.5 -99.5 -78.5 155.6 86.0 40.4 18.5 8 30 A P - 0 0 1 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 -0.175 55.5 -68.8 -58.7 160.2 82.3 39.2 19.1 9 31 A P - 0 0 38 0, 0.0 35,-3.2 0, 0.0 2,-0.5 -0.327 56.6-143.1 -42.6 133.0 79.8 38.6 16.3 10 32 A L E -a 44 0A 39 33,-0.2 2,-0.4 -3,-0.1 35,-0.2 -0.955 21.4-179.9-117.3 127.9 78.9 42.0 14.8 11 33 A D E +a 45 0A 14 33,-3.0 35,-1.1 -2,-0.5 28,-0.0 -0.901 8.0 178.0-134.6 101.6 75.4 42.9 13.7 12 34 A L - 0 0 75 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.566 31.5-148.3 -84.1 -11.2 74.8 46.4 12.3 13 35 A G - 0 0 31 1,-0.1 -1,-0.2 6,-0.1 7,-0.1 -0.373 30.9 -68.2 78.3-156.7 71.1 46.0 11.4 14 36 A S S S+ 0 0 119 5,-0.2 -1,-0.1 1,-0.1 6,-0.1 0.767 105.1 71.7-109.1 -39.2 69.2 47.6 8.5 15 37 A I S > S- 0 0 94 4,-0.3 4,-1.7 -3,-0.1 2,-0.1 -0.733 83.8-117.0 -91.2 128.2 69.0 51.3 9.3 16 38 A P T 4 S- 0 0 111 0, 0.0 2,-2.6 0, 0.0 -2,-0.1 -0.396 88.0 -11.9 -65.1 137.2 72.2 53.4 9.0 17 39 A W T 4 S+ 0 0 178 1,-0.2 32,-2.7 -2,-0.1 33,-0.1 -0.237 133.4 62.6 66.7 -50.4 73.5 55.0 12.3 18 40 A L T >4 S+ 0 0 82 -2,-2.6 30,-3.0 30,-0.3 3,-1.0 0.934 72.6 163.6 -68.7 -46.4 70.3 54.2 14.2 19 41 A G B 3< S-B 47 0A 10 -4,-1.7 3,-0.4 1,-0.2 -4,-0.3 -0.463 72.3 -11.7 66.7-125.6 70.6 50.4 13.9 20 42 A Y T 3> S+ 0 0 29 26,-3.1 4,-2.6 -2,-0.2 5,-0.3 0.026 95.6 123.0 -99.1 28.6 68.3 48.7 16.3 21 43 A A H <> S+ 0 0 28 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.851 76.2 46.0 -51.9 -43.9 67.5 51.9 18.3 22 44 A L H > S+ 0 0 137 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.927 114.5 45.1 -70.0 -46.6 63.8 51.5 17.8 23 45 A D H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 8,-0.3 0.937 115.4 47.3 -64.9 -51.2 63.6 47.7 18.6 24 46 A F H < S+ 0 0 32 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.912 114.4 46.9 -53.3 -50.7 65.7 48.0 21.7 25 47 A G H < S+ 0 0 15 -4,-1.9 3,-0.3 -5,-0.3 -2,-0.2 0.861 112.8 48.5 -62.3 -40.2 63.8 51.1 23.0 26 48 A K H < S- 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 138.9 -9.9 -69.4 -48.0 60.3 49.6 22.5 27 49 A D X + 0 0 14 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 -0.524 64.4 179.6-156.2 84.5 60.9 46.2 24.1 28 50 A A H > S+ 0 0 3 421,-0.5 4,-2.5 -4,-0.4 5,-0.2 0.810 81.4 54.1 -61.9 -34.2 64.5 45.5 25.0 29 51 A A H > S+ 0 0 6 420,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 111.6 43.5 -68.6 -45.2 63.9 42.0 26.5 30 52 A S H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.1 -2,-0.2 0.934 116.7 47.9 -61.9 -46.4 62.0 40.7 23.4 31 53 A F H X S+ 0 0 3 -4,-2.2 4,-1.9 -8,-0.3 3,-0.3 0.971 113.3 45.8 -59.8 -56.9 64.6 42.2 21.0 32 54 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.744 107.6 59.0 -59.3 -28.6 67.7 40.9 22.9 33 55 A T H X S+ 0 0 50 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.947 106.4 48.1 -63.6 -48.0 66.0 37.4 23.2 34 56 A R H X S+ 0 0 119 -4,-1.9 4,-2.0 -3,-0.3 -2,-0.2 0.904 110.7 51.6 -58.2 -44.1 65.9 37.2 19.4 35 57 A M H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.800 105.5 54.6 -66.2 -32.7 69.5 38.3 19.2 36 58 A K H X S+ 0 0 51 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.888 109.6 48.5 -60.8 -42.5 70.6 35.6 21.6 37 59 A E H < S+ 0 0 153 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.9 42.8 -64.7 -41.1 68.9 33.1 19.3 38 60 A K H < S+ 0 0 131 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.885 132.5 14.5 -68.9 -44.1 70.7 34.6 16.3 39 61 A H H < S- 0 0 49 -4,-2.6 3,-0.4 1,-0.3 -3,-0.2 0.504 95.6-125.0-118.7 -11.5 74.2 35.1 17.7 40 62 A G < - 0 0 32 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.540 63.5 -27.2 87.8-159.9 74.6 33.2 21.0 41 63 A D S S+ 0 0 29 -2,-0.2 15,-3.1 1,-0.1 16,-0.6 0.425 126.7 40.1 -78.1 -4.6 75.7 34.6 24.4 42 64 A I E + C 0 55A 3 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.969 63.2 151.1-147.1 132.3 77.8 37.5 23.0 43 65 A F E - C 0 54A 0 11,-1.5 11,-2.7 -2,-0.3 2,-0.5 -0.979 35.5-132.3-151.1 154.0 77.2 39.9 20.2 44 66 A T E +aC 10 53A 2 -35,-3.2 -33,-3.0 -2,-0.3 2,-0.3 -0.965 32.0 178.5-108.1 125.4 78.0 43.5 19.1 45 67 A I E -aC 11 52A 0 7,-2.8 7,-3.3 -2,-0.5 2,-0.5 -0.921 26.6-126.8-124.7 154.3 75.0 45.5 17.9 46 68 A L E + C 0 51A 11 -35,-1.1 -26,-3.1 -2,-0.3 2,-0.3 -0.894 32.6 166.8 -99.7 125.2 74.5 49.1 16.7 47 69 A V E > -BC 19 50A 24 3,-2.4 3,-1.9 -2,-0.5 -28,-0.2 -0.977 68.3 -18.2-140.4 126.0 71.8 51.1 18.4 48 70 A G T 3 S- 0 0 28 -30,-3.0 -30,-0.3 -2,-0.3 -29,-0.1 0.866 128.7 -47.3 43.6 50.1 71.4 54.9 18.1 49 71 A G T 3 S+ 0 0 19 -32,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.341 117.3 105.1 83.0 -5.2 75.0 55.5 16.9 50 72 A R E < -C 47 0A 74 -3,-1.9 -3,-2.4 -32,-0.2 2,-0.8 -0.827 66.9-132.7-109.8 148.6 76.7 53.3 19.5 51 73 A Y E -C 46 0A 70 -2,-0.3 302,-2.5 300,-0.3 2,-0.6 -0.885 28.6-167.4 -98.2 107.8 78.2 49.8 19.3 52 74 A V E -Cd 45 353A 9 -7,-3.3 -7,-2.8 -2,-0.8 2,-0.8 -0.860 12.2-152.5-101.8 116.9 76.9 47.9 22.2 53 75 A T E -Cd 44 354A 1 300,-2.9 302,-2.8 -2,-0.6 2,-0.5 -0.823 16.0-154.1 -87.8 111.4 78.5 44.5 23.1 54 76 A V E -Cd 43 355A 0 -11,-2.7 -11,-1.5 -2,-0.8 2,-0.6 -0.774 6.8-164.1 -88.6 121.1 75.8 42.4 24.8 55 77 A L E +Cd 42 356A 0 300,-2.6 302,-0.8 -2,-0.5 -13,-0.2 -0.950 18.8 163.5-106.0 120.9 77.0 39.7 27.2 56 78 A L + 0 0 0 -15,-3.1 -14,-0.2 -2,-0.6 -1,-0.1 0.244 42.0 104.2-120.8 5.9 74.3 37.2 28.1 57 79 A D > - 0 0 8 -16,-0.6 3,-1.2 1,-0.1 4,-0.1 -0.833 53.4-162.5 -91.5 108.3 76.4 34.3 29.5 58 80 A P G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.771 86.9 63.1 -64.3 -26.1 75.9 34.5 33.3 59 81 A H G 3 S+ 0 0 33 1,-0.2 3,-0.3 2,-0.1 4,-0.1 0.771 105.7 48.2 -64.7 -24.9 79.1 32.4 34.0 60 82 A S G X S+ 0 0 3 -3,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.247 81.1 95.0-101.7 10.0 81.1 35.2 32.4 61 83 A Y T X> S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.2 3,-1.5 0.841 77.5 61.9 -72.3 -32.8 79.7 38.2 34.2 62 84 A D H 3> S+ 0 0 44 -4,-0.3 4,-0.6 -3,-0.3 -1,-0.2 0.683 93.8 62.9 -65.4 -20.4 82.5 38.2 36.9 63 85 A A H <4 S+ 0 0 27 -3,-0.6 -1,-0.3 276,-0.2 -2,-0.2 0.511 116.7 30.3 -79.5 -2.5 85.2 38.8 34.3 64 86 A V H X4 S+ 0 0 1 -3,-1.5 3,-0.9 -4,-0.1 -2,-0.2 0.728 108.5 59.5-124.1 -46.6 83.5 42.1 33.6 65 87 A V H 3< S+ 0 0 1 -4,-2.2 344,-0.8 1,-0.2 345,-0.2 0.769 105.8 48.2 -71.0 -29.1 81.7 43.6 36.6 66 88 A W T 3< S+ 0 0 113 -4,-0.6 -1,-0.2 -5,-0.2 -3,-0.1 0.437 83.1 123.2 -92.9 -2.0 84.8 43.9 38.9 67 89 A E < - 0 0 59 -3,-0.9 342,-0.2 1,-0.1 -3,-0.1 -0.308 68.1-103.4 -61.2 142.6 87.0 45.5 36.2 68 90 A P >> - 0 0 65 0, 0.0 4,-2.9 0, 0.0 3,-1.9 -0.220 25.6-112.8 -65.0 155.5 88.5 49.0 37.1 69 91 A R T 34 S+ 0 0 110 1,-0.3 264,-0.1 2,-0.2 -2,-0.1 0.780 115.4 67.6 -58.4 -30.4 87.2 52.2 35.7 70 92 A T T 34 S+ 0 0 109 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.561 117.7 23.4 -71.0 -8.5 90.4 52.6 33.7 71 93 A R T <4 S+ 0 0 82 -3,-1.9 262,-2.4 1,-0.3 263,-1.0 0.667 138.2 18.0-116.0 -55.2 89.3 49.6 31.7 72 94 A L E < S-E 332 0A 3 -4,-2.9 2,-0.5 260,-0.2 -1,-0.3 -0.982 74.5-161.0-127.2 120.4 85.4 49.4 32.0 73 95 A D E +E 331 0A 20 258,-2.7 258,-3.0 -2,-0.4 4,-0.2 -0.883 25.7 169.3-115.2 125.5 83.5 52.5 33.2 74 96 A F S > S+ 0 0 18 -2,-0.5 4,-1.5 256,-0.2 3,-0.3 0.638 71.9 74.5 -95.3 -20.5 80.0 52.8 34.7 75 97 A H H > S+ 0 0 14 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.827 83.5 62.3 -72.4 -36.9 80.3 56.4 35.9 76 98 A A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 108.3 44.1 -54.1 -45.2 80.0 58.2 32.5 77 99 A Y H > S+ 0 0 68 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.887 113.5 49.7 -71.4 -40.2 76.5 56.8 31.9 78 100 A A H X S+ 0 0 38 -4,-1.5 4,-2.8 2,-0.2 3,-0.3 0.973 111.2 50.5 -57.2 -53.4 75.4 57.5 35.5 79 101 A I H X S+ 0 0 72 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.911 111.1 48.9 -46.8 -50.7 76.7 61.1 35.1 80 102 A F H X S+ 0 0 72 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.857 112.0 48.6 -59.4 -39.8 74.7 61.4 31.9 81 103 A L H X>S+ 0 0 40 -4,-2.0 4,-2.4 -3,-0.3 5,-0.7 0.892 106.2 56.0 -72.4 -42.3 71.6 60.1 33.5 82 104 A M H X5S+ 0 0 17 -4,-2.8 6,-1.7 3,-0.2 4,-1.5 0.929 115.3 38.8 -48.8 -53.9 71.9 62.5 36.5 83 105 A E H X5S+ 0 0 94 -4,-1.9 4,-1.5 4,-0.3 -2,-0.2 0.950 118.8 44.0 -65.6 -54.8 72.0 65.5 34.2 84 106 A R H <5S+ 0 0 101 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.829 128.0 26.6 -66.9 -36.5 69.4 64.5 31.6 85 107 A I H <5S+ 0 0 5 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.892 137.4 21.8 -89.3 -46.9 66.8 63.1 34.0 86 108 A F H < - 0 0 38 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.796 26.1-161.9 -86.0 117.7 85.2 59.5 43.1 95 117 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.863 91.9 51.6 -63.6 -36.5 82.2 57.1 42.7 96 118 A S H > S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.763 110.9 48.0 -73.9 -29.3 83.9 54.3 44.6 97 119 A D H > S+ 0 0 115 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.875 115.5 44.1 -70.7 -45.0 84.8 56.6 47.5 98 120 A E H X S+ 0 0 19 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.845 111.3 52.5 -73.0 -35.7 81.2 57.9 47.7 99 121 A K H X S+ 0 0 53 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.902 110.8 49.0 -66.7 -40.4 79.5 54.5 47.4 100 122 A A H X S+ 0 0 60 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.920 113.8 46.4 -60.5 -47.4 81.7 53.2 50.2 101 123 A R H >X S+ 0 0 61 -4,-2.0 4,-1.1 1,-0.2 3,-0.6 0.982 116.3 44.0 -58.9 -58.5 80.8 56.3 52.3 102 124 A M H >< S+ 0 0 14 -4,-3.4 3,-0.7 1,-0.2 4,-0.4 0.892 108.3 57.9 -54.6 -45.1 77.0 56.0 51.5 103 125 A K H >< S+ 0 0 71 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.835 100.8 56.7 -62.8 -31.8 76.8 52.2 52.0 104 126 A L H X< S+ 0 0 111 -4,-1.4 3,-1.5 -3,-0.6 6,-0.3 0.856 101.2 56.1 -64.1 -38.1 78.1 52.5 55.6 105 127 A T T << S+ 0 0 10 -4,-1.1 128,-0.4 -3,-0.7 -1,-0.2 0.511 109.4 49.7 -71.3 -2.5 75.3 54.9 56.5 106 128 A L T < S+ 0 0 11 -3,-1.1 311,-0.3 -4,-0.4 2,-0.3 0.113 107.9 65.1-120.9 14.2 72.9 52.1 55.3 107 129 A L S X> S- 0 0 37 -3,-1.5 3,-1.2 309,-0.1 4,-0.9 -0.876 90.7 -4.3-136.3 166.8 74.5 49.2 57.2 108 130 A H H 3> S+ 0 0 135 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.246 126.4 1.8 57.3-124.1 75.2 47.9 60.7 109 131 A R H 3> S+ 0 0 227 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 135.7 51.5 -68.5 -34.9 74.0 50.2 63.6 110 132 A E H <> S+ 0 0 79 -3,-1.2 4,-2.9 -6,-0.3 -2,-0.2 0.916 108.2 51.9 -66.6 -41.3 72.6 52.8 61.2 111 133 A L H X S+ 0 0 22 -4,-0.9 4,-4.0 -7,-0.2 5,-0.2 0.927 107.6 53.0 -58.6 -45.4 70.6 50.2 59.4 112 134 A Q H X S+ 0 0 84 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.899 110.5 47.1 -56.7 -45.8 69.2 49.0 62.8 113 135 A A H X S+ 0 0 41 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.923 116.0 45.5 -57.3 -48.1 68.1 52.6 63.5 114 136 A L H X S+ 0 0 8 -4,-2.9 4,-3.5 2,-0.2 -2,-0.2 0.907 111.0 52.6 -62.8 -45.3 66.6 52.9 60.0 115 137 A T H X S+ 0 0 4 -4,-4.0 4,-1.7 2,-0.2 -1,-0.2 0.900 113.4 43.3 -59.5 -43.3 64.9 49.5 60.3 116 138 A E H X S+ 0 0 106 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.910 116.4 47.2 -67.8 -45.6 63.3 50.5 63.6 117 139 A A H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.895 109.8 55.3 -60.7 -42.3 62.4 53.9 62.2 118 140 A M H X S+ 0 0 0 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.888 105.2 51.5 -58.9 -42.9 61.0 52.3 59.0 119 141 A Y H X S+ 0 0 16 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.921 111.0 46.3 -65.1 -42.6 58.6 50.0 60.9 120 142 A T H X S+ 0 0 46 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.902 115.1 47.8 -68.2 -35.6 57.1 52.9 62.9 121 143 A N H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.924 112.2 48.3 -68.2 -41.7 56.7 55.1 59.8 122 144 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.946 116.8 44.2 -60.2 -48.5 55.2 52.2 57.8 123 145 A H H X>S+ 0 0 45 -4,-2.4 4,-2.7 -5,-0.2 5,-0.7 0.943 115.0 47.6 -58.1 -53.5 52.8 51.6 60.7 124 146 A A H X5S+ 0 0 19 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.886 118.2 40.9 -60.1 -43.1 52.0 55.3 61.2 125 147 A V H X5S+ 0 0 1 -4,-2.9 4,-2.5 3,-0.2 -2,-0.2 0.939 121.3 40.3 -70.3 -48.5 51.4 56.0 57.6 126 148 A L H X5S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -3,-0.2 0.957 125.5 34.1 -70.0 -53.9 49.4 52.8 56.8 127 149 A L H X5S+ 0 0 24 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.853 117.7 56.1 -73.3 -31.1 47.4 52.6 60.0 128 150 A G H X -G 464 0B 17 -2,-0.3 4,-2.7 323,-0.2 5,-0.1 -0.693 37.0-130.1 -74.7 139.5 45.0 50.3 42.8 142 164 A L H > S+ 0 0 0 321,-3.2 4,-2.7 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0.931 117.2 40.2 -64.2 -45.8 55.9 57.8 52.1 153 175 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.885 116.5 51.5 -64.7 -41.7 57.3 55.7 55.0 154 176 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.897 110.5 48.6 -63.0 -43.5 60.7 55.5 53.2 155 177 A Y H X S+ 0 0 1 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.890 111.9 48.1 -60.7 -42.6 60.8 59.2 52.7 156 178 A L H X S+ 0 0 4 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.831 112.6 50.1 -71.2 -30.7 59.9 59.9 56.4 157 179 A T H < S+ 0 0 4 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.933 122.2 30.2 -72.7 -48.9 62.6 57.5 57.6 158 180 A L H < S+ 0 0 2 -4,-2.4 73,-1.4 -5,-0.1 76,-0.3 0.871 129.9 36.2 -77.3 -41.8 65.4 58.9 55.4 159 181 A Y H < S- 0 0 0 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.528 110.5-118.3 -96.5 -4.8 64.3 62.5 55.3 160 182 A G < - 0 0 0 -4,-0.8 69,-0.2 -5,-0.3 2,-0.2 -0.136 24.2 -82.7 94.2 171.3 62.9 62.9 58.8 161 183 A I B -I 228 0C 2 67,-3.3 67,-3.2 -4,-0.1 3,-0.1 -0.652 31.6-107.2-117.7 165.8 59.6 63.6 60.5 162 184 A E S S+ 0 0 66 8,-0.3 2,-0.3 -2,-0.2 9,-0.1 0.910 98.5 1.6 -57.0 -45.2 57.5 66.7 61.4 163 185 A A - 0 0 23 65,-0.1 -1,-0.2 4,-0.1 4,-0.1 -1.000 50.5-152.0-150.1 148.2 58.3 66.2 65.2 164 186 A L S S+ 0 0 104 -2,-0.3 65,-0.1 1,-0.2 63,-0.0 -0.423 95.2 62.4-126.7 54.6 60.2 64.1 67.7 165 187 A P S S- 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.098 110.2-135.6-100.8 -15.2 58.5 64.2 70.8 166 188 A R - 0 0 61 1,-0.1 2,-0.2 -5,-0.0 -2,-0.1 0.966 31.1-174.3 71.0 97.3 56.1 62.6 68.3 167 189 A T > - 0 0 51 1,-0.1 4,-2.2 -4,-0.1 5,-0.2 -0.614 41.1-109.6-114.0 170.3 52.4 63.8 68.5 168 190 A H H > S+ 0 0 152 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.883 121.1 47.9 -61.2 -37.3 49.0 63.1 67.0 169 191 A E H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.797 111.7 47.0 -77.8 -34.4 49.3 66.4 65.1 170 192 A S H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.1 -8,-0.3 0.882 112.4 50.3 -73.0 -41.4 52.8 65.9 63.8 171 193 A Q H X S+ 0 0 69 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.895 111.1 49.5 -62.8 -39.3 52.0 62.4 62.6 172 194 A A H X S+ 0 0 32 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.877 110.0 50.9 -66.9 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54.4 60.8 46.8 183 205 A H H X S+ 0 0 110 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.899 117.3 42.8 -67.7 -37.5 51.9 62.3 44.4 184 206 A T H >X S+ 0 0 6 -4,-2.4 4,-1.1 -5,-0.2 3,-0.8 0.945 113.5 51.4 -69.5 -51.9 54.3 64.9 43.0 185 207 A F H 3X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.3 3,-0.4 0.854 104.2 59.6 -51.4 -41.6 57.2 62.4 42.7 186 208 A R H 3X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.832 97.2 58.8 -62.5 -32.2 55.0 59.9 40.8 187 209 A Q H < S+ 0 0 1 -4,-1.1 3,-0.8 -3,-0.4 4,-0.2 0.900 111.9 56.0 -71.9 -44.3 58.1 62.5 37.4 189 211 A D H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.928 101.5 57.1 -54.4 -49.6 58.5 58.7 37.9 190 212 A R H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 4,-0.2 0.755 112.0 41.6 -53.2 -31.7 55.9 57.9 35.1 191 213 A L T S+ 0 0 1 -3,-1.9 4,-2.8 -4,-0.2 5,-0.2 0.914 77.2 51.0 -56.2 -51.7 61.4 58.8 33.5 193 215 A P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.901 112.7 45.9 -52.4 -46.6 61.9 56.7 30.3 194 216 A K H >>S+ 0 0 81 2,-0.2 5,-2.0 1,-0.2 4,-0.8 0.899 111.0 54.4 -66.7 -39.4 60.9 59.6 28.0 195 217 A L H ><5S+ 0 0 10 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.953 109.8 46.9 -50.2 -56.1 63.1 61.9 30.1 196 218 A A H 3<5S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.824 116.7 43.0 -59.5 -36.6 66.1 59.6 29.5 197 219 A R H 3<5S- 0 0 106 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.442 105.1-126.0 -90.7 -2.0 65.4 59.4 25.8 198 220 A G T <<5 + 0 0 54 -3,-1.1 -3,-0.2 -4,-0.8 -4,-0.1 0.854 69.9 130.5 57.5 39.0 64.6 63.1 25.3 199 221 A S < + 0 0 67 -5,-2.0 -4,-0.2 -6,-0.1 2,-0.1 0.168 25.6 134.6-108.7 17.0 61.3 62.3 23.7 200 222 A L - 0 0 23 -6,-0.4 2,-0.1 -5,-0.1 -9,-0.0 -0.399 51.3-130.2 -65.5 138.8 59.1 64.6 25.8 201 223 A S > - 0 0 60 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.326 34.1 -95.9 -75.3 169.8 56.5 66.7 24.0 202 224 A V H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.916 129.0 44.4 -55.2 -46.7 56.3 70.5 24.6 203 225 A G H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 111.3 52.0 -62.3 -44.3 53.5 69.9 27.2 204 226 A D H > S+ 0 0 41 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.904 109.6 52.2 -57.9 -44.8 55.4 66.9 28.8 205 227 A K H X S+ 0 0 102 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.915 111.1 45.3 -58.5 -48.4 58.4 69.2 29.2 206 228 A D H X S+ 0 0 109 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.889 113.7 49.7 -66.3 -39.3 56.4 71.9 30.9 207 229 A H H X S+ 0 0 71 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.952 112.7 47.7 -63.0 -46.2 54.7 69.4 33.1 208 230 A M H X S+ 0 0 2 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.876 110.6 51.1 -61.7 -40.4 58.1 67.8 34.1 209 231 A C H X S+ 0 0 79 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.876 111.8 47.2 -65.3 -39.3 59.7 71.2 34.8 210 232 A S H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.872 112.2 49.8 -68.5 -37.3 56.8 72.2 37.0 211 233 A V H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.926 113.4 45.9 -66.3 -45.9 56.9 68.8 38.9 212 234 A K H X S+ 0 0 11 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.945 109.1 55.7 -58.0 -51.1 60.7 69.2 39.4 213 235 A S H X S+ 0 0 74 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.883 112.0 43.5 -49.7 -44.6 60.2 72.8 40.5 214 236 A R H X S+ 0 0 103 -4,-1.9 4,-2.7 2,-0.2 3,-0.4 0.944 115.2 47.4 -68.5 -46.2 57.8 71.6 43.2 215 237 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.873 108.9 55.0 -63.9 -37.4 60.0 68.7 44.2 216 238 A W H < S+ 0 0 47 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.9 44.5 -65.9 -29.4 63.1 70.9 44.4 217 239 A K H >< S+ 0 0 134 -4,-1.1 3,-1.1 -3,-0.4 -2,-0.2 0.872 112.0 51.4 -81.2 -41.2 61.2 73.2 46.8 218 240 A L H 3< S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.905 117.9 38.2 -58.9 -43.8 59.8 70.3 48.9 219 241 A L T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 36,-0.2 -0.064 84.8 139.6-103.4 32.0 63.2 68.7 49.4 220 242 A S X> - 0 0 24 -3,-1.1 4,-2.3 1,-0.1 3,-0.9 -0.519 65.1-119.1 -72.0 142.7 65.2 71.9 49.7 221 243 A P H 3> S+ 0 0 12 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.858 115.6 59.0 -46.5 -40.1 68.0 71.9 52.4 222 244 A A H 34 S+ 0 0 66 2,-0.2 4,-0.3 1,-0.2 -5,-0.0 0.837 108.7 41.7 -58.2 -39.5 66.1 74.7 54.1 223 245 A R H X4 S+ 0 0 93 -3,-0.9 3,-0.9 -6,-0.2 -1,-0.2 0.890 115.2 50.3 -76.6 -39.9 62.9 72.7 54.5 224 246 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.702 94.7 74.0 -69.0 -23.0 64.7 69.5 55.6 225 247 A A T 3< S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.737 95.5 49.7 -67.4 -24.7 66.7 71.4 58.2 226 248 A R T < S+ 0 0 160 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.487 88.4 109.3 -90.0 -5.3 63.7 71.7 60.5 227 249 A R < - 0 0 18 -3,-1.2 3,-0.4 -4,-0.2 2,-0.2 -0.417 63.3-130.8 -79.5 147.8 62.8 68.0 60.3 228 250 A A B S+I 161 0C 25 -67,-3.2 -67,-3.3 1,-0.2 -65,-0.1 -0.664 78.3 18.4 -98.5 155.1 63.3 65.6 63.2 229 251 A H S S- 0 0 92 -2,-0.2 -69,-0.3 -69,-0.2 -1,-0.2 0.863 77.4-177.9 56.6 43.7 65.0 62.2 63.3 230 252 A R - 0 0 52 -3,-0.4 -71,-0.2 -71,-0.2 -1,-0.2 -0.396 28.5-106.9 -70.1 150.3 66.8 62.7 60.1 231 253 A S > - 0 0 7 -73,-1.4 4,-2.5 1,-0.1 5,-0.2 -0.427 10.8-127.0 -81.0 152.8 68.9 59.7 59.0 232 254 A K H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.836 113.5 64.6 -62.7 -32.5 72.7 59.6 59.1 233 255 A W H > S+ 0 0 1 -128,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.943 109.2 37.5 -49.9 -51.4 72.3 58.6 55.5 234 256 A L H > S+ 0 0 0 -76,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.941 116.0 50.2 -68.6 -50.0 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0 0 30 1,-0.2 -1,-0.3 6,-0.1 7,-0.1 -0.485 32.8 -73.6 77.1-152.2 36.2 29.5 103.9 487 36 B S S S+ 0 0 117 5,-0.4 -1,-0.2 -2,-0.1 6,-0.1 0.648 104.1 77.7-118.2 -31.9 34.9 27.2 106.7 488 37 B I S > S- 0 0 85 4,-0.4 4,-2.4 -3,-0.1 -1,-0.1 -0.818 84.5-116.6 -94.2 115.7 35.1 23.6 105.3 489 38 B P T 4 S- 0 0 111 0, 0.0 2,-2.7 0, 0.0 -2,-0.1 -0.231 90.3 -9.0 -39.7 133.7 38.6 22.0 105.3 490 39 B W T 4 S+ 0 0 173 1,-0.2 32,-3.3 32,-0.1 33,-0.2 -0.230 130.5 64.3 67.4 -52.2 39.8 21.3 101.8 491 40 B L T >4 + 0 0 64 -2,-2.7 3,-2.2 30,-0.3 30,-1.7 0.870 69.3 163.8 -65.9 -37.7 36.5 22.1 100.0 492 41 B G B 3< S-R 520 0K 4 -4,-2.4 -4,-0.4 1,-0.3 -5,-0.4 -0.392 74.8 -13.8 51.9-108.7 36.6 25.7 101.0 493 42 B Y T 3> S+ 0 0 31 26,-2.6 4,-3.3 -2,-0.4 5,-0.3 0.178 95.5 120.1-110.1 14.6 34.2 27.4 98.7 494 43 B A H <> S+ 0 0 27 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.852 81.1 45.8 -45.4 -44.9 33.6 24.6 96.1 495 44 B L H > S+ 0 0 123 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.969 116.4 43.6 -65.8 -53.3 29.9 24.4 96.9 496 45 B D H 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30.1 92.9 526 75 B T E -St 517 823K 1 296,-3.5 298,-2.6 -2,-0.6 2,-0.5 -0.819 16.5-155.1 -89.9 117.7 43.5 33.8 92.7 527 76 B V E -St 516 824K 0 -11,-3.1 -11,-1.5 -2,-0.7 2,-0.4 -0.824 8.5-166.6 -99.0 129.6 40.7 35.7 91.2 528 77 B L E +St 515 825K 0 296,-2.5 298,-0.8 -2,-0.5 -13,-0.2 -0.978 15.6 166.7-117.2 128.4 41.4 39.0 89.3 529 78 B L + 0 0 0 -15,-2.6 -14,-0.1 -2,-0.4 -1,-0.1 0.318 40.7 109.4-127.5 2.2 38.4 41.3 88.6 530 79 B D >> - 0 0 10 -16,-0.5 3,-1.3 1,-0.2 4,-0.7 -0.751 52.1-159.9 -83.6 107.5 40.1 44.6 87.6 531 80 B P G >4 S+ 0 0 2 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.839 89.9 62.1 -60.7 -32.8 39.5 44.9 83.8 532 81 B H G 34 S+ 0 0 33 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.814 105.7 46.7 -54.8 -35.4 42.4 47.4 83.6 533 82 B S G <> S+ 0 0 3 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.560 89.3 85.7 -87.5 -10.0 44.8 44.7 84.8 534 83 B Y H S+ 0 0 48 -4,-0.5 4,-1.1 -3,-0.3 -1,-0.2 0.927 103.5 38.8 -58.3 -60.0 45.8 43.0 79.6 536 85 B A H >4 S+ 0 0 54 -4,-0.3 3,-0.9 1,-0.2 4,-0.4 0.953 117.0 54.6 -55.6 -50.1 49.3 42.3 80.9 537 86 B V H >< S+ 0 0 1 -4,-1.2 3,-1.1 1,-0.2 -2,-0.2 0.844 104.9 48.6 -54.7 -49.9 48.1 39.1 82.6 538 87 B V H 3< S+ 0 0 2 -4,-2.6 340,-1.1 1,-0.2 -1,-0.2 0.735 111.2 51.8 -68.7 -21.4 46.5 37.4 79.5 539 88 B W T << S+ 0 0 104 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.395 78.7 126.8 -96.3 0.8 49.6 38.0 77.4 540 89 B E < - 0 0 23 -3,-1.1 338,-0.2 -4,-0.4 -3,-0.0 -0.303 67.5-105.0 -53.1 138.5 52.1 36.6 79.9 541 90 B P >> - 0 0 64 0, 0.0 4,-2.5 0, 0.0 3,-1.6 -0.193 26.7-108.7 -64.5 165.3 54.4 33.8 78.4 542 91 B R T 34 S+ 0 0 98 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 0.643 116.2 67.6 -72.5 -19.1 53.8 30.1 79.1 543 92 B T T 34 S+ 0 0 107 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.578 117.3 25.2 -74.5 -15.3 56.9 30.0 81.3 544 93 B R T <4 S+ 0 0 69 -3,-1.6 258,-2.8 1,-0.2 259,-0.6 0.734 136.7 17.7-110.4 -62.8 55.1 32.3 83.7 545 94 B L E < S-U 801 0K 0 -4,-2.5 2,-0.6 256,-0.2 -1,-0.2 -0.954 74.8-150.2-122.4 114.5 51.3 31.8 83.2 546 95 B D E +U 800 0K 25 254,-3.0 254,-2.7 -2,-0.5 4,-0.2 -0.716 23.2 170.4 -92.6 118.4 50.3 28.5 81.4 547 96 B F S > S+ 0 0 11 -2,-0.6 4,-1.2 252,-0.2 -1,-0.1 0.714 75.1 56.5 -89.5 -25.0 47.1 28.5 79.4 548 97 B H H > S+ 0 0 19 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 92.0 61.2 -82.3 -47.0 47.6 25.1 77.7 549 98 B A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.832 107.5 49.8 -52.1 -35.2 48.1 22.6 80.6 550 99 B Y H > S+ 0 0 55 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.946 109.7 49.0 -68.9 -50.2 44.5 23.5 81.8 551 100 B A H X S+ 0 0 34 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.880 111.9 51.0 -51.2 -43.7 43.0 23.0 78.3 552 101 B I H X S+ 0 0 75 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.971 109.1 49.5 -57.6 -55.2 44.9 19.6 78.1 553 102 B F H X S+ 0 0 112 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.867 115.4 45.3 -52.0 -40.4 43.5 18.6 81.5 554 103 B L H X>S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 5,-0.7 0.857 108.6 53.5 -73.3 -40.8 40.0 19.6 80.2 555 104 B M H X5S+ 0 0 25 -4,-3.1 6,-2.0 3,-0.2 4,-1.2 0.922 117.5 40.9 -57.0 -41.9 40.3 17.9 76.8 556 105 B E H X5S+ 0 0 84 -4,-2.5 4,-1.1 4,-0.3 -2,-0.2 0.958 120.4 38.7 -69.9 -56.5 41.2 14.7 78.7 557 106 B R H <5S+ 0 0 93 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.788 128.5 30.6 -73.9 -27.3 38.8 14.8 81.6 558 107 B I H <5S+ 0 0 10 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.842 135.9 20.2 -98.2 -37.2 35.8 16.2 79.7 559 108 B F H < - 0 0 45 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.683 31.0-154.7 -76.2 117.8 53.3 23.4 70.1 568 117 B P H > S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.828 94.5 47.5 -60.5 -35.3 50.1 25.1 71.4 569 118 B S H > S+ 0 0 22 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.875 108.5 51.0 -77.7 -44.4 51.1 28.2 69.5 570 119 B D H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 114.4 46.1 -58.0 -43.6 52.0 26.6 66.1 571 120 B E H X S+ 0 0 22 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.861 111.2 51.6 -66.7 -39.9 48.6 24.8 66.3 572 121 B K H X S+ 0 0 52 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.959 111.9 47.4 -60.2 -48.9 46.8 28.1 67.2 573 122 B A H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.899 114.6 47.6 -56.9 -44.8 48.5 29.8 64.3 574 123 B R H X S+ 0 0 55 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.947 115.3 41.2 -63.2 -54.5 47.5 26.8 62.0 575 124 B M H >< S+ 0 0 16 -4,-3.0 3,-0.7 1,-0.2 4,-0.2 0.903 109.3 62.1 -66.4 -37.0 43.9 26.6 62.9 576 125 B K H >< S+ 0 0 18 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 0.918 100.7 51.5 -50.6 -50.8 43.5 30.4 63.0 577 126 B L H >< S+ 0 0 25 -4,-1.5 3,-1.2 1,-0.3 6,-0.3 0.754 98.9 63.7 -65.6 -24.2 44.3 30.8 59.3 578 127 B T T << S+ 0 0 8 -4,-0.9 128,-0.4 -3,-0.7 -1,-0.3 0.490 105.5 49.2 -74.9 -1.2 41.7 28.2 58.2 579 128 B L T < S+ 0 0 9 -3,-2.0 307,-0.3 -4,-0.2 2,-0.3 0.104 108.4 57.5-122.1 14.8 39.1 30.6 59.7 580 129 B L S X> S+ 0 0 6 -3,-1.2 4,-1.2 305,-0.1 3,-1.1 -0.849 91.3 4.4-140.0 171.8 40.2 33.8 58.0 581 130 B H H 3> S- 0 0 26 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 -0.183 126.7 -3.8 56.4-126.3 40.8 35.5 54.7 582 131 B R H 3> S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.865 137.3 53.4 -70.7 -33.3 39.9 33.4 51.6 583 132 B E H <> S+ 0 0 39 -3,-1.1 4,-2.2 -6,-0.3 -2,-0.2 0.887 106.6 52.7 -70.1 -34.2 39.0 30.4 53.8 584 133 B L H X S+ 0 0 16 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.911 107.5 51.4 -62.2 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27.5 24.8 61.2 628 177 B Y H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.939 113.2 44.9 -55.1 -52.0 28.1 21.1 61.3 629 178 B L H X S+ 0 0 2 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.851 113.8 51.4 -64.5 -35.8 27.4 20.7 57.6 630 179 B T H < S+ 0 0 2 -4,-1.9 74,-0.2 2,-0.2 -2,-0.2 0.952 121.2 30.1 -65.4 -51.3 29.5 23.7 56.8 631 180 B L H < S+ 0 0 2 -4,-2.7 73,-1.4 1,-0.2 76,-0.4 0.892 131.0 34.8 -75.6 -43.7 32.6 22.6 58.8 632 181 B Y H < S- 0 0 0 -4,-3.1 -3,-0.2 -5,-0.3 71,-0.2 0.444 110.7-118.7 -97.3 -2.8 32.2 18.8 58.4 633 182 B G < - 0 0 0 -4,-1.0 -1,-0.2 -5,-0.3 69,-0.2 -0.184 22.2 -85.4 94.5 174.4 30.7 18.7 54.9 634 183 B I B -Y 701 0M 0 67,-3.3 67,-3.2 -4,-0.1 3,-0.1 -0.652 35.6-100.2-122.5 171.9 27.6 17.6 53.1 635 184 B E S S- 0 0 92 8,-0.3 2,-0.3 1,-0.2 9,-0.1 0.879 98.3 -8.8 -62.6 -41.3 26.0 14.4 51.6 636 185 B A - 0 0 21 65,-0.1 -1,-0.2 64,-0.1 4,-0.1 -0.978 43.7-148.1-162.8 143.8 26.9 15.3 48.0 637 186 B L S S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.353 103.0 69.8-107.6 -2.0 28.3 18.2 45.9 638 187 B P S S- 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.946 99.9-157.4 -41.0 -75.4 26.3 17.2 43.0 639 188 B R + 0 0 58 -5,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.822 20.4 170.3 85.9 94.4 23.7 18.5 45.6 640 189 B T > - 0 0 63 -4,-0.1 4,-1.8 1,-0.0 5,-0.2 -0.536 50.1 -97.0-122.9 178.4 20.2 17.1 44.9 641 190 B H H > S+ 0 0 147 -2,-0.2 4,-1.7 2,-0.2 5,-0.1 0.866 124.5 49.1 -69.4 -34.2 16.8 17.0 46.7 642 191 B E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.875 111.9 46.7 -69.8 -41.5 17.6 13.6 48.1 643 192 B S H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -8,-0.3 0.909 114.1 47.4 -69.7 -41.0 21.1 14.6 49.4 644 193 B Q H X S+ 0 0 66 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.854 110.7 51.9 -67.7 -37.3 19.8 17.8 51.0 645 194 B A H X S+ 0 0 38 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.866 111.3 47.8 -64.6 -38.5 16.9 15.9 52.6 646 195 B Q H X S+ 0 0 89 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.887 107.0 56.8 -67.9 -38.9 19.5 13.5 54.0 647 196 B D H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.882 108.4 48.6 -54.2 -41.5 21.6 16.5 55.2 648 197 B R H X S+ 0 0 30 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.907 114.3 43.2 -70.1 -44.4 18.6 17.6 57.2 649 198 B V H X S+ 0 0 91 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.935 117.1 45.7 -63.5 -53.1 17.9 14.1 58.8 650 199 B H H X S+ 0 0 18 -4,-3.0 4,-2.4 1,-0.2 3,-0.3 0.969 114.0 48.1 -58.0 -53.5 21.6 13.4 59.6 651 200 B S H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.821 109.5 52.9 -59.8 -32.6 22.3 16.9 61.0 652 201 B A H X S+ 0 0 22 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.890 108.6 51.0 -70.4 -36.2 19.1 16.7 63.2 653 202 B D H X S+ 0 0 52 -4,-1.9 4,-2.5 -3,-0.3 5,-0.3 0.965 111.3 47.1 -62.4 -52.7 20.4 13.4 64.6 654 203 B V H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.928 113.4 50.1 -50.8 -49.7 23.8 14.9 65.4 655 204 B F H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.936 110.6 47.2 -58.3 -49.5 22.0 17.9 67.0 656 205 B H H X S+ 0 0 106 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.948 116.8 43.5 -63.7 -44.4 19.7 15.9 69.2 657 206 B T H X S+ 0 0 4 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.920 112.6 54.2 -63.1 -43.1 22.6 13.6 70.4 658 207 B F H X S+ 0 0 2 -4,-3.1 4,-3.1 -5,-0.3 -2,-0.2 0.891 103.1 56.1 -56.6 -42.7 24.8 16.7 70.8 659 208 B R H X S+ 0 0 24 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.828 103.1 55.8 -62.6 -31.2 22.2 18.4 73.1 660 209 B Q H X S+ 0 0 73 -4,-1.1 4,-1.3 -3,-0.5 -1,-0.2 0.927 111.9 41.8 -65.5 -45.9 22.3 15.4 75.4 661 210 B L H >X S+ 0 0 2 -4,-1.6 4,-1.3 1,-0.2 3,-0.8 0.970 114.3 52.6 -59.8 -52.8 26.1 15.7 75.8 662 211 B D H 3< S+ 0 0 0 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.833 107.4 51.6 -55.9 -39.0 25.8 19.5 76.1 663 212 B R H 3< S+ 0 0 145 -4,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.870 114.9 42.1 -65.2 -34.9 23.2 19.2 78.8 664 213 B L H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.982 112.7 46.2 -55.1 -59.1 28.5 21.0 83.5 667 216 B K H >>S+ 0 0 92 -4,-0.3 5,-2.8 1,-0.2 4,-0.9 0.816 113.9 51.3 -53.2 -34.1 27.8 18.2 85.9 668 217 B L H ><5S+ 0 0 22 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.956 110.9 45.3 -69.3 -51.6 30.6 16.2 84.3 669 218 B A H 3<5S+ 0 0 24 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 115.3 48.5 -57.5 -37.1 33.2 18.9 84.6 670 219 B R H 3<5S- 0 0 107 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.686 110.2-125.9 -79.3 -17.1 32.1 19.5 88.2 671 220 B G T <<5S+ 0 0 42 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.804 73.1 121.4 76.8 35.3 32.3 15.8 88.9 672 221 B S < + 0 0 67 -5,-2.8 2,-0.3 -6,-0.1 -4,-0.2 0.217 30.8 121.9-118.4 14.9 28.7 15.6 90.2 673 222 B L - 0 0 13 -6,-0.5 -9,-0.0 -5,-0.1 5,-0.0 -0.574 61.8-116.9 -82.5 141.3 26.9 13.0 88.0 674 223 B S > - 0 0 64 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.238 33.7-106.0 -59.5 159.5 25.3 9.9 89.3 675 224 B V H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.935 123.6 51.7 -55.7 -47.8 26.7 6.6 88.1 676 225 B G H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 110.5 46.7 -54.1 -48.5 23.7 6.2 85.8 677 226 B D H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.811 109.4 55.0 -65.0 -34.6 24.1 9.7 84.3 678 227 B K H X S+ 0 0 102 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.872 108.8 48.0 -64.7 -39.6 27.8 9.1 83.8 679 228 B D H X S+ 0 0 111 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.830 109.6 52.8 -68.9 -35.1 26.9 6.0 81.9 680 229 B H H X S+ 0 0 73 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.923 108.3 51.4 -63.1 -41.6 24.3 8.0 79.9 681 230 B M H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 107.0 52.5 -64.1 -41.6 27.1 10.5 79.1 682 231 B C H X S+ 0 0 69 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.900 109.2 50.5 -57.0 -42.9 29.4 7.7 77.8 683 232 B S H X S+ 0 0 71 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.867 110.7 48.1 -63.4 -42.1 26.6 6.5 75.5 684 233 B V H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.914 114.0 46.6 -64.9 -46.0 26.1 9.9 74.1 685 234 B K H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 111.6 51.7 -63.0 -45.7 29.9 10.4 73.5 686 235 B S H X S+ 0 0 59 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.891 109.2 49.8 -58.8 -43.5 30.2 7.0 72.0 687 236 B R H X S+ 0 0 103 -4,-2.1 4,-2.7 1,-0.2 3,-0.3 0.942 112.6 47.2 -61.2 -47.2 27.3 7.7 69.5 688 237 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.854 108.5 54.6 -62.5 -36.8 28.9 11.0 68.5 689 238 B W H < S+ 0 0 35 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.798 111.4 46.4 -68.8 -30.9 32.3 9.4 68.1 690 239 B K H >< S+ 0 0 146 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-3,-1.5 3,-0.4 -4,-0.2 2,-0.3 -0.452 63.8-131.9 -81.6 147.9 31.3 13.7 52.7 701 250 B A B S+Y 634 0M 24 -67,-3.2 -67,-3.3 1,-0.2 -65,-0.1 -0.692 76.6 19.6 -99.0 152.5 31.5 16.5 50.1 702 251 B H S S- 0 0 85 -2,-0.3 -69,-0.3 -69,-0.2 -1,-0.2 0.852 74.2-177.1 63.4 39.2 32.6 20.1 50.5 703 252 B R - 0 0 53 -3,-0.4 -1,-0.2 -71,-0.2 -71,-0.2 -0.434 30.3-107.8 -59.9 138.7 34.5 19.6 53.7 704 253 B S > - 0 0 10 -73,-1.4 4,-1.9 -74,-0.2 5,-0.1 -0.225 17.1-119.5 -62.3 156.7 35.9 22.9 55.1 705 254 B K H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.873 116.0 65.1 -60.2 -38.4 39.7 23.6 54.9 706 255 B W H > S+ 0 0 3 -128,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.921 106.2 39.5 -46.1 -52.5 39.3 23.8 58.8 707 256 B L H > S+ 0 0 0 -76,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.922 115.4 50.7 -68.5 -46.3 38.4 20.1 58.9 708 257 B E H X S+ 0 0 96 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.887 113.7 43.2 -61.8 -44.6 40.9 18.9 56.3 709 258 B S H X S+ 0 0 18 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.840 113.4 52.3 -73.0 -30.5 43.9 20.6 57.8 710 259 B Y H X S+ 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3,-0.8 -5,-0.2 7,-0.6 0.877 110.9 51.5 -67.9 -41.0 14.8 41.7 70.0 751 300 B L H 3< S+ 0 0 26 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.8 46.1 -63.7 -40.1 11.4 40.0 70.5 752 301 B K T 3< S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.439 111.2 55.9 -80.9 -4.8 11.0 41.6 74.0 753 302 B N X> - 0 0 53 -3,-0.8 4,-2.0 -4,-0.3 3,-1.2 -0.731 63.3-171.0-134.1 87.8 12.1 45.1 72.8 754 303 B P H 3> S+ 0 0 105 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.820 85.7 51.8 -47.5 -48.3 10.1 46.6 69.9 755 304 B E H 3> S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.833 112.1 48.9 -61.5 -32.7 12.3 49.6 69.1 756 305 B A H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.962 111.8 46.3 -69.4 -55.2 15.3 47.3 68.9 757 306 B L H X S+ 0 0 29 -4,-2.0 4,-3.2 -7,-0.6 -2,-0.2 0.895 113.1 51.6 -54.1 -43.5 13.7 44.8 66.6 758 307 B A H X S+ 0 0 60 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.884 108.1 50.8 -63.3 -41.4 12.4 47.6 64.4 759 308 B A H X S+ 0 0 29 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.894 114.2 44.3 -61.3 -44.2 15.9 49.2 64.2 760 309 B V H X S+ 0 0 0 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