==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-DEC-03 1RV3 . COMPND 2 MOLECULE: SERINE HYDROXYMETHYLTRANSFERASE, CYTOSOLIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR D.M.SZEBENYI,F.N.MUSAYEV,M.L.DI SALVO,M.K.SAFO,V.SCHIRCH . 930 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 43 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.7 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 4 2 2 0 4 4 2 2 0 2 2 0 2 2 0 0 0 0 3 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 6 4 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 15 A W > 0 0 163 0, 0.0 4,-0.6 0, 0.0 770,-0.0 0.000 360.0 360.0 360.0 166.1 6.2 72.1 65.3 2 16 A S T 4 + 0 0 89 2,-0.2 4,-0.3 1,-0.1 0, 0.0 0.700 360.0 42.9 -91.4 -24.2 5.3 75.6 63.9 3 17 A S T > S+ 0 0 35 2,-0.2 4,-0.9 1,-0.1 -1,-0.1 0.694 112.3 53.4 -92.2 -24.1 7.0 77.5 66.7 4 18 A H H > S+ 0 0 11 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.801 99.9 63.3 -77.8 -30.1 10.1 75.2 66.6 5 19 A E H < S+ 0 0 106 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 111.7 36.9 -63.1 -30.2 10.4 75.8 62.9 6 20 A Q H >> S+ 0 0 128 -4,-0.3 4,-1.7 2,-0.2 3,-1.0 0.606 97.4 75.0 -99.2 -14.9 11.0 79.5 63.6 7 21 A M H 3< S+ 0 0 16 -4,-0.9 504,-0.3 1,-0.3 3,-0.2 0.907 101.6 49.7 -61.2 -34.3 13.1 79.2 66.8 8 22 A L T 3< S+ 0 0 2 -4,-1.1 502,-2.4 1,-0.2 920,-0.7 0.587 114.7 42.6 -78.2 -11.4 15.8 78.1 64.3 9 23 A A T <4 S+ 0 0 52 -3,-1.0 -2,-0.2 500,-0.2 -1,-0.2 0.513 86.0 113.9-111.3 -9.0 15.1 81.2 62.1 10 24 A Q S < S- 0 0 78 -4,-1.7 501,-0.5 -3,-0.2 -3,-0.0 -0.340 70.9-112.5 -65.8 137.4 14.8 83.8 64.8 11 25 A P >> - 0 0 41 0, 0.0 4,-3.1 0, 0.0 3,-0.8 -0.322 24.7-113.3 -68.2 158.0 17.5 86.5 64.8 12 26 A L H 3> S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 8,-0.3 0.874 114.2 62.7 -58.1 -40.0 19.9 86.7 67.8 13 27 A K H 34 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.827 116.7 29.0 -55.7 -35.9 18.5 90.0 68.9 14 28 A D H <4 S+ 0 0 103 -3,-0.8 3,-0.4 2,-0.1 -2,-0.2 0.826 121.4 52.2 -93.2 -39.2 15.1 88.4 69.5 15 29 A S H < S+ 0 0 5 -4,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.927 127.0 13.3 -64.5 -48.7 16.2 84.9 70.3 16 30 A D X + 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 -0.657 61.7 172.7-136.9 81.2 18.7 85.7 73.1 17 31 A A H > S+ 0 0 66 -3,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.844 80.3 56.0 -53.5 -40.7 18.5 89.3 74.3 18 32 A E H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 111.8 39.9 -62.7 -48.0 21.0 88.7 77.1 19 33 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 114.1 55.4 -67.2 -43.1 23.8 87.4 74.9 20 34 A Y H X S+ 0 0 40 -4,-2.6 4,-1.8 -8,-0.3 -2,-0.2 0.882 107.0 50.6 -55.9 -40.3 23.0 90.1 72.3 21 35 A D H X S+ 0 0 80 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.881 107.4 52.8 -66.4 -39.7 23.4 92.8 75.0 22 36 A I H X S+ 0 0 9 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.910 108.0 50.9 -63.1 -41.4 26.8 91.4 76.1 23 37 A I H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.912 109.5 51.5 -62.5 -41.1 28.0 91.6 72.5 24 38 A K H X S+ 0 0 83 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.920 110.9 46.7 -62.0 -45.5 26.8 95.2 72.2 25 39 A K H X S+ 0 0 72 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.864 114.2 47.8 -66.3 -35.0 28.6 96.2 75.4 26 40 A E H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.886 109.1 53.3 -71.8 -39.5 31.8 94.5 74.3 27 41 A S H X S+ 0 0 25 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.923 112.8 45.4 -59.9 -42.8 31.6 96.1 70.8 28 42 A N H X S+ 0 0 79 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.850 108.1 55.7 -69.2 -37.1 31.4 99.4 72.5 29 43 A R H < S+ 0 0 53 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.879 107.5 50.5 -63.4 -37.3 34.2 98.7 75.0 30 44 A Q H < S+ 0 0 14 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.823 108.0 54.6 -68.7 -32.0 36.5 97.9 72.0 31 45 A R H < S+ 0 0 99 -4,-1.2 425,-0.2 1,-0.2 -2,-0.2 0.894 111.1 40.6 -70.5 -43.3 35.5 101.2 70.3 32 46 A V S < S+ 0 0 20 -4,-1.8 421,-0.2 422,-0.1 2,-0.2 0.365 104.8 81.6 -91.0 6.4 36.4 103.6 73.2 33 47 A G S S- 0 0 10 -4,-0.4 2,-0.7 -3,-0.4 329,-0.2 -0.653 75.0-123.5-110.2 167.7 39.6 101.9 74.3 34 48 A L E -a 362 0A 2 327,-2.7 329,-2.5 -2,-0.2 2,-0.8 -0.936 25.2-152.7-110.3 108.6 43.2 101.9 73.1 35 49 A E E +a 363 0A 16 -2,-0.7 353,-0.7 327,-0.2 329,-0.1 -0.729 32.7 152.4 -86.5 106.8 44.3 98.3 72.2 36 50 A L + 0 0 0 327,-2.2 348,-2.9 -2,-0.8 2,-0.5 0.296 29.2 122.9-115.0 6.7 48.1 97.9 72.7 37 51 A I > - 0 0 2 346,-0.2 3,-1.8 327,-0.2 350,-0.3 -0.612 61.0-139.8 -72.7 120.3 48.2 94.2 73.4 38 52 A A T 3 S+ 0 0 0 -2,-0.5 -1,-0.2 1,-0.3 347,-0.1 0.633 94.3 57.0 -56.2 -20.7 50.5 92.8 70.8 39 53 A S T 3 S+ 0 0 4 204,-0.1 204,-0.4 345,-0.1 2,-0.3 0.390 92.2 88.7 -96.9 5.9 48.5 89.6 70.1 40 54 A E < + 0 0 9 -3,-1.8 347,-0.5 202,-0.1 2,-0.3 -0.719 42.2 151.9-108.0 155.9 45.2 91.4 69.2 41 55 A N - 0 0 12 481,-0.3 2,-0.5 -2,-0.3 346,-0.1 -0.919 42.7-100.0-159.3-179.8 43.7 92.7 66.0 42 56 A F - 0 0 6 -2,-0.3 418,-0.1 344,-0.2 2,-0.1 -0.961 31.9-140.4-120.0 116.1 40.4 93.4 64.3 43 57 A A - 0 0 3 -2,-0.5 204,-0.1 416,-0.1 479,-0.1 -0.434 27.2-106.6 -72.9 147.1 39.2 90.8 61.8 44 58 A S > - 0 0 0 202,-0.6 4,-1.9 -2,-0.1 430,-0.2 -0.255 24.0-112.0 -72.1 161.3 37.5 92.1 58.7 45 59 A R H > S+ 0 0 57 428,-2.3 4,-2.2 415,-0.3 432,-0.2 0.890 116.0 55.5 -58.0 -44.7 33.7 91.9 58.0 46 60 A A H > S+ 0 0 0 429,-0.5 4,-1.8 426,-0.3 -1,-0.2 0.900 107.0 49.5 -58.1 -44.7 34.2 89.4 55.2 47 61 A V H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.925 111.8 48.4 -60.7 -45.9 36.1 87.0 57.4 48 62 A L H X S+ 0 0 3 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.827 107.1 56.8 -65.5 -32.0 33.4 87.3 60.2 49 63 A E H >< S+ 0 0 51 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.909 103.4 53.5 -67.1 -39.1 30.7 86.7 57.6 50 64 A A H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 5,-0.3 0.822 101.3 61.6 -64.3 -30.7 32.3 83.4 56.5 51 65 A L H 3< S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 103.7 47.5 -65.2 -34.1 32.3 82.2 60.2 52 66 A G T << S+ 0 0 6 -4,-1.0 -1,-0.3 -3,-0.6 877,-0.2 0.217 91.1 117.6 -93.9 16.7 28.6 82.3 60.5 53 67 A S S X S- 0 0 0 -3,-1.3 3,-1.3 1,-0.1 4,-0.1 -0.085 84.6 -97.2 -75.3 178.8 27.9 80.5 57.2 54 68 A C G >> S+ 0 0 7 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.422 107.4 90.7 -75.8 -0.5 26.2 77.1 56.6 55 69 A L G 34 S+ 0 0 0 -5,-0.3 3,-0.4 1,-0.3 231,-0.3 0.700 70.7 75.2 -68.1 -16.8 29.7 75.5 56.5 56 70 A N G <4 S+ 0 0 10 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.827 92.8 52.9 -62.2 -30.1 29.1 75.1 60.3 57 71 A N T <4 S+ 0 0 9 -3,-1.3 2,-0.5 -4,-0.1 449,-0.4 0.763 84.3 96.4 -79.4 -27.5 26.8 72.2 59.5 58 72 A K < - 0 0 0 -4,-0.6 2,-0.6 -3,-0.4 228,-0.4 -0.544 56.2-162.4 -73.6 117.0 29.1 70.1 57.2 59 73 A Y + 0 0 8 -2,-0.5 2,-0.3 226,-0.1 226,-0.1 -0.875 18.0 167.4 -97.9 118.9 30.8 67.3 59.1 60 74 A S - 0 0 1 -2,-0.6 2,-0.1 224,-0.3 -2,-0.0 -0.658 15.8-166.2-139.7 85.0 33.8 66.1 57.0 61 75 A L + 0 0 16 -2,-0.3 7,-2.2 222,-0.1 8,-0.6 -0.422 58.7 18.9 -68.5 140.9 36.4 63.8 58.7 62 76 A G E S-B 67 0B 1 220,-0.3 5,-0.2 5,-0.2 -2,-0.1 -0.584 89.8 -65.7 103.2-164.6 39.6 63.4 56.7 63 77 A Y E > -B 66 0B 17 3,-1.3 3,-3.3 -2,-0.2 13,-0.1 -0.828 62.3 -68.3-126.4 164.4 41.3 65.4 54.0 64 78 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.301 127.8 12.7 -53.4 127.1 40.6 66.2 50.3 65 79 A G T 3 S+ 0 0 81 -3,-0.0 -3,-0.0 1,-0.0 11,-0.0 0.327 126.2 66.9 85.9 -9.6 40.8 62.9 48.4 66 80 A Q E < +B 63 0B 128 -3,-3.3 -3,-1.3 -5,-0.0 2,-0.3 -0.323 68.8 152.7-137.0 50.3 40.9 61.1 51.7 67 81 A R E -B 62 0B 35 -5,-0.2 -5,-0.2 1,-0.1 -6,-0.0 -0.636 37.6-157.5 -89.1 142.6 37.4 61.6 53.2 68 82 A Y S S+ 0 0 106 -7,-2.2 2,-0.2 -2,-0.3 -1,-0.1 0.882 83.8 37.9 -79.5 -41.7 35.7 59.3 55.6 69 83 A Y S S- 0 0 24 -8,-0.6 2,-0.1 764,-0.1 3,-0.1 -0.594 82.5-124.5-105.9 169.0 32.2 60.6 54.6 70 84 A G S S+ 0 0 13 762,-0.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.455 75.9 68.0-106.3-179.0 30.7 61.7 51.3 71 85 A G + 0 0 15 -2,-0.1 3,-0.2 -13,-0.0 4,-0.2 0.856 62.5 127.5 76.9 35.7 29.0 64.8 50.0 72 86 A T > + 0 0 12 1,-0.1 4,-2.5 -3,-0.1 5,-0.3 0.085 20.0 120.3-111.9 23.2 32.3 66.8 50.3 73 87 A E H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.912 87.2 32.3 -51.9 -48.7 32.5 68.2 46.7 74 88 A H H > S+ 0 0 17 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.809 114.7 57.4 -81.2 -32.3 32.4 71.8 48.0 75 89 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.866 108.4 50.2 -65.4 -33.4 34.2 71.2 51.2 76 90 A D H X S+ 0 0 37 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.911 108.3 50.9 -69.3 -42.6 37.0 69.9 49.1 77 91 A E H X S+ 0 0 62 -4,-1.3 4,-2.5 -5,-0.3 -2,-0.2 0.929 113.5 48.0 -59.2 -43.4 37.0 72.9 46.9 78 92 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.968 114.6 40.9 -62.9 -57.4 37.2 75.0 50.0 79 93 A E H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.918 116.7 50.3 -59.9 -43.8 40.0 73.3 51.8 80 94 A T H X S+ 0 0 73 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.944 111.9 48.0 -59.1 -47.6 42.0 72.9 48.5 81 95 A L H X S+ 0 0 10 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.927 110.6 52.0 -59.0 -44.9 41.5 76.6 47.8 82 96 A C H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.904 110.3 47.7 -59.7 -42.7 42.6 77.5 51.3 83 97 A Q H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.910 110.8 52.1 -64.9 -41.6 45.8 75.4 51.0 84 98 A K H X S+ 0 0 113 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 110.9 46.6 -62.2 -42.2 46.5 77.0 47.6 85 99 A R H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.822 109.1 56.0 -70.8 -30.5 46.2 80.5 48.9 86 100 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.934 111.3 41.9 -66.8 -45.8 48.3 79.7 52.0 87 101 A L H <>S+ 0 0 15 -4,-2.1 5,-3.0 2,-0.2 3,-0.3 0.919 117.4 48.9 -65.9 -42.1 51.3 78.5 49.8 88 102 A Q H ><5S+ 0 0 109 -4,-2.1 3,-2.4 -5,-0.2 -2,-0.2 0.945 104.2 57.8 -62.2 -51.3 50.8 81.4 47.4 89 103 A A H 3<5S+ 0 0 9 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.8 39.8 -51.8 -33.9 50.6 84.0 50.2 90 104 A Y T 3<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.293 114.6-114.0-101.4 10.3 54.0 83.0 51.4 91 105 A G T < 5 + 0 0 68 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.876 59.4 160.0 61.3 42.7 55.5 82.5 48.0 92 106 A L < - 0 0 20 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.813 42.2-129.7-103.9 135.7 56.0 78.7 48.3 93 107 A D >> - 0 0 84 -2,-0.4 3,-2.8 1,-0.1 4,-1.9 -0.696 16.7-139.6 -80.0 118.0 56.4 76.2 45.5 94 108 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.583 101.7 63.2 -56.5 -7.8 53.9 73.4 46.1 95 109 A Q T 34 S+ 0 0 152 1,-0.1 3,-0.1 162,-0.1 -2,-0.0 0.676 115.3 29.9 -88.2 -18.2 56.6 70.9 45.0 96 110 A C T <4 S+ 0 0 49 -3,-2.8 161,-2.7 1,-0.2 2,-0.3 0.555 124.9 41.4-113.2 -16.7 58.8 72.0 48.0 97 111 A W E < -C 256 0C 15 -4,-1.9 2,-0.3 159,-0.3 159,-0.2 -0.989 55.3-179.1-137.3 146.1 56.1 72.9 50.5 98 112 A G E -C 255 0C 0 157,-2.8 157,-2.3 -2,-0.3 2,-0.3 -0.847 13.5-149.0-132.1 168.7 52.7 71.5 51.7 99 113 A V E -C 254 0C 4 -2,-0.3 2,-0.5 155,-0.2 155,-0.2 -0.989 11.6-153.2-151.3 140.0 50.2 72.8 54.3 100 114 A N E -C 253 0C 1 153,-2.7 153,-2.3 -2,-0.3 -2,-0.0 -0.932 11.1-177.4-109.0 124.9 47.6 71.5 56.7 101 115 A V + 0 0 8 -2,-0.5 150,-0.1 151,-0.2 191,-0.1 0.170 58.4 88.7-109.2 19.2 44.8 73.9 57.5 102 116 A Q + 0 0 3 151,-0.1 183,-0.4 148,-0.1 -1,-0.1 0.703 46.9 119.9 -91.8 -19.5 42.8 72.0 60.1 103 117 A P - 0 0 4 0, 0.0 148,-2.0 0, 0.0 6,-0.1 -0.190 60.0-140.3 -48.4 133.2 44.4 72.9 63.4 104 118 A Y S S- 0 0 9 146,-0.2 2,-0.3 1,-0.1 3,-0.1 0.761 74.4 -21.3 -67.7 -25.6 41.7 74.5 65.6 105 119 A S S > S- 0 0 6 145,-0.2 4,-1.4 1,-0.1 146,-0.2 -0.924 79.5 -76.9-164.7-173.3 44.2 77.1 66.9 106 120 A G H > S+ 0 0 11 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.914 121.5 50.5 -67.9 -45.9 47.9 77.8 67.4 107 121 A S H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 111.0 49.2 -60.2 -45.4 48.5 75.7 70.5 108 122 A P H > S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.851 107.6 56.3 -63.3 -32.8 46.9 72.6 68.8 109 123 A A H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.928 109.8 44.2 -64.4 -45.1 49.1 73.2 65.7 110 124 A N H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 3,-0.2 0.932 112.3 52.1 -64.3 -46.6 52.3 73.1 67.7 111 125 A F H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.867 106.2 53.9 -59.4 -39.1 51.2 70.0 69.7 112 126 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.876 108.0 50.8 -64.9 -36.1 50.4 68.1 66.5 113 127 A V H X S+ 0 0 0 -4,-1.4 4,-3.1 -3,-0.2 5,-0.5 0.920 110.6 47.8 -67.8 -42.7 53.9 68.8 65.1 114 128 A Y H X>S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-1.8 0.931 111.4 51.7 -61.5 -44.4 55.5 67.5 68.3 115 129 A T H <5S+ 0 0 10 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.869 116.1 41.7 -59.0 -39.4 53.3 64.5 68.3 116 130 A A H <5S+ 0 0 11 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.922 128.4 22.5 -77.6 -47.1 54.3 63.8 64.7 117 131 A L H <5S+ 0 0 8 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.694 130.8 33.7 -97.7 -19.9 58.1 64.5 64.7 118 132 A V T <5S- 0 0 1 -4,-2.4 -3,-0.2 -5,-0.5 5,-0.1 0.844 82.5-160.6-103.0 -46.0 59.1 64.1 68.3 119 133 A E > < - 0 0 112 -5,-1.8 3,-2.3 3,-0.1 -3,-0.1 0.234 48.2 -29.5 75.5 156.1 56.9 61.3 69.9 120 134 A P T 3 S+ 0 0 39 0, 0.0 33,-0.2 0, 0.0 3,-0.1 -0.097 132.6 1.9 -43.7 128.0 56.4 60.8 73.7 121 135 A H T 3 S+ 0 0 80 31,-2.6 32,-0.2 1,-0.2 -2,-0.1 0.513 92.3 146.6 69.6 8.8 59.3 61.9 75.8 122 136 A G < - 0 0 12 -3,-2.3 32,-2.4 30,-0.3 2,-0.4 -0.404 54.5 -99.2 -71.9 154.9 61.3 63.2 72.8 123 137 A R E +d 154 0C 106 57,-0.3 59,-3.1 30,-0.2 60,-1.2 -0.614 41.6 177.9 -87.0 134.3 63.5 66.2 73.4 124 138 A I E -de 155 183C 0 30,-2.5 32,-1.8 -2,-0.4 2,-0.4 -0.990 11.9-158.4-133.1 137.2 62.5 69.7 72.5 125 139 A M E +de 156 184C 1 58,-2.1 60,-2.9 -2,-0.4 2,-0.3 -0.963 20.6 160.0-120.9 132.8 64.2 73.0 73.0 126 140 A G E -d 157 0C 1 30,-0.9 32,-1.5 -2,-0.4 60,-0.1 -0.959 47.3 -74.6-145.9 162.4 62.5 76.4 73.0 127 141 A L E -d 158 0C 2 58,-0.4 32,-0.2 60,-0.3 7,-0.2 -0.347 60.3-104.4 -58.3 130.5 63.0 80.0 74.1 128 142 A D > > - 0 0 46 30,-2.6 5,-2.0 1,-0.1 3,-1.2 -0.252 25.7-121.9 -57.4 140.2 62.5 80.3 77.9 129 143 A L G > 5S+ 0 0 37 9,-0.3 3,-2.0 1,-0.3 4,-0.1 0.911 110.2 49.0 -52.4 -53.4 59.2 81.8 79.0 130 144 A P G 3 5S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.643 109.3 56.4 -65.4 -10.5 60.6 84.8 81.0 131 145 A D G < 5S- 0 0 13 -3,-1.2 -2,-0.2 27,-0.1 -3,-0.1 0.277 137.2 -78.2-100.6 7.8 62.8 85.5 78.0 132 146 A G T < 5S+ 0 0 1 -3,-2.0 57,-3.0 1,-0.2 58,-1.5 0.550 85.2 138.3 109.3 10.3 59.9 85.8 75.6 133 147 A G < - 0 0 8 -5,-2.0 2,-0.3 55,-0.2 -1,-0.2 -0.307 48.9-113.3 -84.0 170.8 59.0 82.2 74.8 134 148 A H > - 0 0 36 53,-0.3 3,-2.3 -7,-0.2 4,-0.2 -0.781 20.6-117.8-105.6 150.5 55.5 80.7 74.5 135 149 A L G > S+ 0 0 22 -2,-0.3 3,-2.3 1,-0.3 14,-0.2 0.877 112.8 59.0 -48.0 -48.5 53.9 78.1 76.8 136 150 A T G 3 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.487 95.5 65.3 -65.2 -1.8 53.6 75.5 74.0 137 151 A H G < S- 0 0 4 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.425 126.9 -66.2 -97.2 -2.3 57.4 75.7 73.6 138 152 A G < - 0 0 11 -3,-2.3 2,-0.3 -4,-0.2 -9,-0.3 0.020 51.4-172.9 122.1 129.6 57.8 74.2 77.0 139 153 A F + 0 0 65 8,-0.2 8,-2.0 -3,-0.1 7,-1.4 -0.846 23.5 135.8-155.5 115.2 57.1 75.3 80.6 140 154 A M B -I 145 0D 80 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.981 31.0-148.3-154.3 158.9 58.2 73.5 83.7 141 155 A T - 0 0 61 3,-3.0 -2,-0.0 -2,-0.3 5,-0.0 -0.563 46.1 -88.0-117.7-174.5 59.7 74.2 87.2 142 156 A D S S+ 0 0 152 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.726 127.0 30.9 -71.4 -16.9 61.9 72.1 89.3 143 157 A K S S+ 0 0 183 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.665 121.5 30.6-113.8 -20.2 58.8 70.5 90.9 144 158 A K - 0 0 141 0, 0.0 -3,-3.0 0, 0.0 2,-0.6 -0.996 58.5-135.5-147.3 148.7 56.1 70.4 88.3 145 159 A K B +I 140 0D 73 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.908 28.6 170.7-101.0 114.4 55.4 70.2 84.5 146 160 A I + 0 0 37 -7,-1.4 -6,-0.2 -2,-0.6 -1,-0.2 0.904 52.3 67.0 -92.4 -52.0 52.8 72.9 83.5 147 161 A S S > S- 0 0 2 -8,-2.0 4,-1.6 1,-0.1 3,-0.4 -0.454 80.0-127.7 -72.7 146.2 52.6 73.0 79.7 148 162 A A H > S+ 0 0 3 599,-2.5 4,-2.2 598,-0.4 5,-0.3 0.797 113.0 61.7 -62.6 -26.6 51.3 70.0 77.9 149 163 A T H > S+ 0 0 2 598,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.921 108.0 41.6 -65.0 -40.9 54.5 70.3 75.8 150 164 A S H 4 S+ 0 0 0 -3,-0.4 -2,-0.2 -11,-0.2 -1,-0.2 0.722 113.3 54.5 -78.0 -22.5 56.5 69.7 79.0 151 165 A I H < S+ 0 0 38 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.894 119.9 27.7 -78.6 -41.3 54.2 67.0 80.3 152 166 A F H < S+ 0 0 3 -4,-2.2 -31,-2.6 -5,-0.1 -30,-0.3 0.600 126.9 36.7 -98.2 -12.5 54.3 64.7 77.3 153 167 A F S < S- 0 0 0 -4,-1.2 2,-0.8 -5,-0.3 -30,-0.2 -0.792 85.6-105.2-130.7 172.5 57.7 65.6 76.0 154 168 A E E -d 123 0C 58 -32,-2.4 -30,-2.5 -2,-0.3 2,-0.3 -0.891 45.1-177.3-105.7 105.8 61.1 66.4 77.5 155 169 A S E +d 124 0C 15 -2,-0.8 2,-0.3 -32,-0.2 -30,-0.2 -0.746 16.3 177.2-105.8 151.8 61.7 70.2 77.1 156 170 A M E -d 125 0C 65 -32,-1.8 -30,-0.9 -2,-0.3 2,-0.1 -0.958 22.6-136.1-149.2 130.4 64.6 72.4 78.0 157 171 A A E -d 126 0C 37 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.355 3.3-146.4 -87.8 166.5 64.8 76.1 77.3 158 172 A Y E -d 127 0C 11 -32,-1.5 -30,-2.6 -2,-0.1 2,-0.2 -0.920 24.0-140.4-124.5 151.8 67.5 78.3 75.9 159 173 A K - 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0 0 122 -4,-2.2 -57,-0.3 -5,-0.2 -3,-0.1 0.976 17.4-158.1 58.7 60.8 70.4 66.1 72.0 181 195 A P - 0 0 3 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.361 20.4-156.9 -69.8 151.0 67.1 67.8 71.0 182 196 A K S S+ 0 0 93 -59,-3.1 28,-2.1 1,-0.3 2,-0.3 0.593 84.9 21.0 -96.6 -15.1 65.0 66.1 68.3 183 197 A L E -ef 124 210C 0 -60,-1.2 -58,-2.1 26,-0.3 2,-0.4 -0.975 65.1-158.1-154.9 136.7 63.4 69.4 67.5 184 198 A I E -ef 125 211C 0 26,-2.4 28,-2.9 -2,-0.3 2,-0.5 -0.961 16.5-141.4-118.6 134.8 64.3 73.1 68.1 185 199 A I E - f 0 212C 0 -60,-2.9 2,-0.7 -2,-0.4 -58,-0.4 -0.840 12.4-170.8-103.1 125.2 61.7 75.8 68.1 186 200 A A E + f 0 213C 0 26,-3.2 28,-2.1 -2,-0.5 2,-0.3 -0.901 47.6 97.4-112.4 100.0 62.3 79.3 66.6 187 201 A G - 0 0 2 -2,-0.7 -60,-0.3 26,-0.2 2,-0.3 -0.890 45.8-157.1-177.0 149.2 59.4 81.5 67.6 188 202 A T - 0 0 22 26,-0.5 29,-0.5 -2,-0.3 -55,-0.2 -0.925 23.6-162.8-139.3 163.2 58.5 84.1 70.2 189 203 A S S S+ 0 0 22 -57,-3.0 -56,-0.2 -2,-0.3 -1,-0.1 0.566 99.4 18.5-112.3 -22.2 55.6 85.8 72.1 190 204 A C S S+ 0 0 7 -58,-1.5 2,-0.4 -59,-0.1 -1,-0.1 -0.442 87.0 116.7-152.0 69.9 57.6 88.8 73.3 191 205 A Y - 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0 0 1 -3,-1.1 2,-0.8 -4,-0.2 231,-0.4 -0.751 53.1-166.6 -92.7 111.0 38.8 89.5 72.3 524 73 B Y + 0 0 14 -2,-0.8 2,-0.4 229,-0.1 229,-0.1 -0.830 18.2 165.1 -96.5 109.9 41.9 87.7 73.4 525 74 B S - 0 0 0 -2,-0.8 2,-0.4 227,-0.3 229,-0.1 -0.986 17.8-161.8-127.1 135.8 41.5 86.6 77.0 526 75 B L + 0 0 13 -2,-0.4 7,-2.1 225,-0.2 8,-0.4 -0.937 56.0 13.4-117.7 142.0 43.6 84.0 78.9 527 76 B G B S-P 532 0I 2 -2,-0.4 5,-0.2 223,-0.3 -2,-0.1 -0.634 93.6 -55.1 98.7-158.2 42.7 82.2 82.0 528 77 B Y - 0 0 22 3,-1.6 -2,-0.1 -2,-0.2 13,-0.1 -0.805 50.4 -95.2-124.1 164.6 39.2 82.0 83.6 529 78 B P S S+ 0 0 27 0, 0.0 3,-0.3 0, 0.0 12,-0.1 0.846 124.1 53.8 -44.3 -39.6 36.6 84.5 84.8 530 79 B G S S+ 0 0 71 1,-0.3 2,-0.5 11,-0.0 11,-0.0 0.995 126.8 8.6 -59.8 -66.4 38.1 84.1 88.3 531 80 B Q S S- 0 0 126 0, 0.0 -3,-1.6 0, 0.0 -1,-0.3 -0.931 73.2-177.4-126.2 109.8 41.7 85.0 87.4 532 81 B R B -P 527 0I 32 -2,-0.5 -5,-0.2 -3,-0.3 -7,-0.0 -0.629 28.9-134.9 -99.3 159.6 42.7 86.2 83.9 533 82 B Y S S+ 0 0 101 -7,-2.1 2,-0.2 -2,-0.2 -1,-0.1 0.921 89.7 28.8 -78.2 -47.7 46.1 87.0 82.6 534 83 B Y S S- 0 0 32 -8,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.474 83.2-114.8-106.2 178.8 45.1 90.4 81.0 535 84 B G S S+ 0 0 12 -171,-0.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.431 76.6 69.4-107.3-176.6 42.5 93.0 81.7 536 85 B G + 0 0 17 -2,-0.1 3,-0.2 1,-0.0 4,-0.2 0.848 60.1 126.7 77.3 35.6 39.4 94.3 80.0 537 86 B T > + 0 0 15 1,-0.1 4,-2.6 -3,-0.1 5,-0.3 0.079 21.0 120.4-111.8 23.2 37.3 91.2 80.5 538 87 B E H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.921 87.3 32.3 -52.2 -49.1 34.2 92.6 82.2 539 88 B H H > S+ 0 0 16 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.809 114.6 57.6 -80.7 -32.3 31.9 91.4 79.4 540 89 B I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.874 108.3 50.0 -64.7 -34.8 33.9 88.2 78.5 541 90 B D H X S+ 0 0 36 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.900 108.2 51.5 -69.1 -40.2 33.4 87.2 82.2 542 91 B E H X S+ 0 0 61 -4,-1.2 4,-2.6 -5,-0.3 -2,-0.2 0.935 113.5 47.4 -60.7 -43.4 29.7 87.9 82.0 543 92 B L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.963 114.8 41.0 -62.8 -57.2 29.6 85.7 78.9 544 93 B E H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.918 116.8 50.2 -60.4 -43.3 31.6 82.7 80.2 545 94 B T H X S+ 0 0 71 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.944 112.0 47.9 -59.9 -46.9 29.9 82.9 83.6 546 95 B L H X S+ 0 0 9 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.926 110.5 52.2 -59.5 -44.7 26.5 83.0 81.9 547 96 B C H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.910 110.3 47.6 -60.0 -42.1 27.5 80.1 79.6 548 97 B Q H X S+ 0 0 49 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.902 110.9 51.9 -66.1 -40.6 28.5 78.0 82.6 549 98 B K H X S+ 0 0 115 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.901 110.9 47.0 -62.9 -42.1 25.3 78.8 84.5 550 99 B R H X S+ 0 0 13 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.835 109.1 55.5 -69.5 -32.4 23.1 77.7 81.5 551 100 B A H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.925 111.3 42.0 -66.5 -44.1 25.1 74.5 81.1 552 101 B L H <>S+ 0 0 14 -4,-2.0 5,-3.1 2,-0.2 3,-0.3 0.918 117.4 48.9 -67.4 -42.3 24.5 73.4 84.7 553 102 B Q H ><5S+ 0 0 116 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.949 104.4 57.6 -61.1 -52.3 20.9 74.5 84.5 554 103 B A H 3<5S+ 0 0 11 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.9 39.7 -51.4 -33.1 20.2 72.8 81.2 555 104 B Y T 3<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.289 114.5-114.3-102.3 10.7 21.2 69.5 82.7 556 105 B G T < 5 + 0 0 69 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.870 59.2 160.1 60.8 42.5 19.5 70.1 86.1 557 106 B L < - 0 0 20 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.808 42.2-129.4-103.8 136.0 22.8 70.2 88.0 558 107 B D >> - 0 0 79 -2,-0.4 3,-2.8 1,-0.1 4,-1.9 -0.692 17.0-139.5 -79.7 117.8 23.3 71.8 91.5 559 108 B P T 34 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.587 101.6 62.8 -56.4 -8.4 26.4 74.1 91.2 560 109 B Q T 34 S+ 0 0 155 1,-0.1 3,-0.1 162,-0.0 -2,-0.0 0.663 115.2 30.5 -88.8 -16.5 27.4 72.8 94.7 561 110 B C T <4 S+ 0 0 47 -3,-2.8 161,-2.5 1,-0.2 2,-0.3 0.562 124.9 41.8-113.5 -17.0 27.8 69.3 93.3 562 111 B W E < -Q 721 0J 13 -4,-1.9 2,-0.3 159,-0.3 159,-0.2 -0.988 55.2-178.9-137.6 145.2 28.8 70.0 89.7 563 112 B G E -Q 720 0J 0 157,-2.7 157,-2.4 -2,-0.3 2,-0.3 -0.858 13.4-149.0-131.7 167.9 31.0 72.5 87.9 564 113 B V E -Q 719 0J 5 -2,-0.3 2,-0.5 155,-0.2 155,-0.2 -0.991 11.3-153.9-149.4 139.2 31.8 73.0 84.2 565 114 B N E -Q 718 0J 0 153,-2.7 153,-2.3 -2,-0.3 -2,-0.0 -0.937 11.0-177.2-110.3 124.4 34.6 74.2 81.9 566 115 B V + 0 0 9 -2,-0.5 150,-0.1 151,-0.2 194,-0.1 0.170 58.2 88.4-108.0 18.9 33.4 75.7 78.6 567 116 B Q + 0 0 4 151,-0.1 186,-0.4 148,-0.1 -1,-0.1 0.709 46.8 119.5 -92.2 -20.3 36.7 76.4 76.8 568 117 B P - 0 0 3 0, 0.0 148,-2.0 0, 0.0 6,-0.1 -0.176 59.9-140.4 -48.4 134.3 37.5 73.1 74.9 569 118 B Y S S- 0 0 8 146,-0.2 2,-0.3 1,-0.1 3,-0.1 0.753 74.4 -19.1 -68.4 -25.9 37.6 73.9 71.2 570 119 B S S > S- 0 0 6 145,-0.2 4,-1.3 1,-0.1 146,-0.2 -0.921 79.2 -78.9-163.8-174.2 35.9 70.7 70.3 571 120 B G H > S+ 0 0 10 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.915 121.5 50.6 -67.8 -46.0 34.9 67.2 71.5 572 121 B S H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 110.9 49.1 -60.0 -45.6 38.3 65.5 70.9 573 122 B P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.842 107.7 56.4 -63.6 -32.5 40.2 68.2 72.8 574 123 B A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.922 109.7 44.2 -65.0 -44.3 37.7 68.0 75.7 575 124 B N H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.939 112.4 52.1 -64.8 -47.2 38.4 64.3 76.2 576 125 B F H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.866 106.3 53.8 -58.9 -38.8 42.1 64.7 75.8 577 126 B A H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.880 108.1 50.5 -64.9 -36.4 42.2 67.4 78.5 578 127 B V H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.3 5,-0.5 0.917 110.7 48.2 -67.2 -42.3 40.3 65.1 80.9 579 128 B Y H X>S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-1.8 0.926 111.2 51.4 -61.6 -45.4 42.8 62.2 80.3 580 129 B T H <5S+ 0 0 13 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.862 116.0 42.1 -58.9 -38.5 45.7 64.7 80.8 581 130 B A H <5S+ 0 0 13 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 128.2 22.3 -78.0 -46.9 44.2 65.8 84.1 582 131 B L H <5S+ 0 0 8 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.684 130.3 34.9 -98.3 -19.2 43.1 62.6 85.7 583 132 B V T <5S- 0 0 2 -4,-2.4 -3,-0.2 -5,-0.5 5,-0.1 0.846 82.5-159.2-103.4 -44.7 45.2 59.9 84.0 584 133 B E > < - 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