==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-AUG-09 3IRH . COMPND 2 MOLECULE: HD DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR I.I.VORONTSOV,G.MINASOV,L.SHUVALOVA,J.S.BRUNZELLE,A.JOACHIMI . 1783 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1248 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 7.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 88 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 240 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 714 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 21 7 0 9 12 8 8 5 3 1 4 0 0 7 0 0 0 0 8 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 6 10 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 2 A T 0 0 190 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.8 -96.0 27.7 -1.8 2 3 A I - 0 0 93 1,-0.0 5,-0.1 2,-0.0 2,-0.1 -0.807 360.0-109.0 -92.5 136.6 -94.0 29.6 -4.5 3 4 A P >> - 0 0 66 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.439 28.7-119.3 -58.6 142.5 -93.4 27.9 -7.9 4 5 A Y G >4 S+ 0 0 31 1,-0.3 3,-1.1 145,-0.3 25,-0.4 0.871 111.4 67.1 -53.3 -41.5 -89.8 26.8 -8.2 5 6 A K G 34 S+ 0 0 63 145,-0.4 -1,-0.3 1,-0.2 24,-0.1 0.836 111.3 31.7 -40.9 -44.7 -89.5 29.0 -11.3 6 7 A E G <4 S+ 0 0 116 -3,-1.4 2,-0.4 144,-0.1 -1,-0.2 0.425 83.4 132.5-105.0 -1.2 -90.0 32.1 -9.1 7 8 A Q << - 0 0 59 -3,-1.1 21,-3.2 -4,-0.8 22,-0.4 -0.373 35.8-168.4 -62.9 112.8 -88.3 31.1 -5.8 8 9 A R E -A 27 0A 127 -2,-0.4 19,-0.2 19,-0.2 18,-0.1 -0.726 28.1-104.5 -97.9 150.0 -86.0 33.8 -4.6 9 10 A L E - 0 0 26 17,-2.8 3,-0.1 -2,-0.3 -1,-0.1 -0.496 27.2-123.1 -67.6 141.3 -83.5 33.4 -1.8 10 11 A P E S+ 0 0 132 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.869 103.4 22.0 -53.3 -32.7 -84.6 35.1 1.4 11 12 A I E S- 0 0 125 15,-0.0 -2,-0.0 -3,-0.0 0, 0.0 -0.997 96.6-105.9-138.7 126.9 -81.3 37.0 1.1 12 13 A E E - 0 0 61 -2,-0.4 2,-0.4 -3,-0.1 14,-0.2 -0.261 34.3-136.5 -48.6 128.8 -79.2 37.5 -2.0 13 14 A K E -A 25 0A 102 12,-2.3 12,-2.2 2,-0.0 2,-0.4 -0.810 17.5-158.5 -93.0 130.6 -76.1 35.3 -2.0 14 15 A V E -A 24 0A 43 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.905 8.3-161.9-113.6 140.5 -72.8 36.9 -3.0 15 16 A F E -A 23 0A 33 8,-2.0 8,-2.5 -2,-0.4 2,-0.1 -0.983 25.6-126.7-117.6 112.9 -69.7 35.1 -4.3 16 17 A R E -A 22 0A 44 -2,-0.5 493,-0.4 491,-0.3 494,-0.3 -0.435 33.0-179.5 -57.3 129.8 -66.4 37.2 -4.1 17 18 A D E > -A 21 0A 0 4,-2.4 4,-1.5 631,-0.2 630,-0.1 -0.997 28.5-144.3-136.4 124.5 -64.9 37.2 -7.6 18 19 A P T 4 S+ 0 0 17 0, 0.0 630,-0.1 0, 0.0 629,-0.1 0.708 100.0 46.2 -65.0 -16.7 -61.6 39.1 -8.3 19 20 A V T 4 S+ 0 0 33 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.895 128.1 20.0 -90.8 -47.4 -62.8 40.0 -11.8 20 21 A H T 4 S- 0 0 11 1,-0.1 2,-2.2 0, 0.0 -1,-0.1 0.318 94.9-129.9-106.3 7.9 -66.4 41.2 -11.2 21 22 A N E < S+A 17 0A 38 -4,-1.5 -4,-2.4 2,-0.0 2,-0.4 -0.460 84.2 21.0 72.8 -61.7 -66.0 42.0 -7.5 22 23 A Y E -A 16 0A 10 -2,-2.2 2,-0.5 -6,-0.3 -6,-0.2 -0.984 61.3-147.4-137.6 140.6 -69.2 40.0 -6.7 23 24 A I E -A 15 0A 0 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.4 -0.958 28.0-150.1 -99.8 126.7 -71.3 37.3 -8.3 24 25 A H E -A 14 0A 30 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.849 13.5-172.4-104.9 132.1 -75.0 37.9 -7.3 25 26 A V E +A 13 0A 0 -12,-2.2 -12,-2.3 -2,-0.4 3,-0.0 -0.982 20.5 152.3-128.5 120.2 -77.5 35.0 -6.9 26 27 A Q E + 0 0 54 -2,-0.4 -17,-2.8 -14,-0.2 2,-0.3 0.715 53.0 77.8-115.0 -38.5 -81.1 35.6 -6.3 27 28 A H E > -A 8 0A 19 -19,-0.2 4,-1.5 1,-0.1 -19,-0.2 -0.603 68.6-141.8 -80.2 138.3 -83.0 32.7 -7.8 28 29 A Q H > S+ 0 0 46 -21,-3.2 4,-2.4 -2,-0.3 5,-0.2 0.844 101.6 60.7 -63.0 -38.1 -83.1 29.4 -5.9 29 30 A V H > S+ 0 0 0 -22,-0.4 4,-2.5 -25,-0.4 -1,-0.2 0.931 104.6 48.4 -52.3 -50.5 -82.7 27.4 -9.3 30 31 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 111.1 48.2 -63.1 -45.5 -79.4 29.1 -9.9 31 32 A L H X S+ 0 0 16 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.919 111.8 50.9 -60.6 -43.5 -78.0 28.4 -6.5 32 33 A D H < S+ 0 0 39 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.904 111.1 48.6 -61.4 -41.0 -79.1 24.8 -6.8 33 34 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 2,-0.2 6,-0.3 0.874 108.6 53.1 -65.5 -40.1 -77.4 24.6 -10.2 34 35 A I H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.6 46.9 -58.8 -43.1 -74.1 26.1 -8.8 35 36 A N T 3< S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.486 87.8 118.3 -79.1 -5.8 -74.2 23.4 -6.1 36 37 A S S X> S- 0 0 1 -3,-0.8 4,-2.7 -4,-0.4 3,-1.2 -0.388 75.4-120.0 -68.4 139.5 -74.9 20.5 -8.5 37 38 A A H 3> S+ 0 0 13 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.816 112.4 54.8 -39.2 -44.1 -72.3 17.8 -8.8 38 39 A E H 34 S+ 0 0 12 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.779 112.6 40.7 -71.0 -31.3 -71.8 18.5 -12.5 39 40 A V H X4 S+ 0 0 1 -3,-1.2 3,-1.7 -6,-0.3 4,-0.3 0.903 111.0 55.8 -81.0 -45.7 -71.0 22.2 -12.0 40 41 A Q H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 4,-0.2 0.791 97.1 68.2 -53.6 -30.9 -68.8 21.6 -8.8 41 42 A R G >< S+ 0 0 6 -4,-1.4 3,-2.5 -5,-0.3 -1,-0.3 0.866 86.0 67.9 -52.2 -40.4 -66.8 19.3 -11.1 42 43 A L G X S+ 0 0 0 -3,-1.7 21,-1.4 -4,-0.4 3,-1.1 0.589 82.0 74.9 -65.7 -14.1 -65.6 22.3 -13.0 43 44 A R G < S+ 0 0 19 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.707 96.0 50.2 -60.1 -26.9 -63.6 23.5 -10.0 44 45 A R G < S+ 0 0 56 -3,-2.5 253,-1.5 -4,-0.2 254,-0.5 0.079 97.2 80.9-106.2 21.8 -61.1 20.7 -10.8 45 46 A I S < S- 0 0 1 -3,-1.1 17,-2.6 251,-0.2 18,-0.3 -0.988 77.0-129.5-132.2 121.0 -60.7 21.7 -14.5 46 47 A K B -B 61 0B 34 -2,-0.4 70,-0.3 15,-0.2 15,-0.3 -0.523 5.6-145.0 -75.2 135.5 -58.4 24.5 -15.6 47 48 A Q S S+ 0 0 14 13,-2.4 14,-0.1 -2,-0.3 -1,-0.1 0.875 98.4 30.5 -61.8 -42.1 -59.9 27.1 -17.9 48 49 A L S > S- 0 0 16 12,-0.5 3,-1.7 10,-0.3 2,-0.6 0.402 84.8-166.0-108.4 -2.2 -56.6 27.6 -19.9 49 50 A G T 3 S+ 0 0 9 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 -0.334 75.3 13.6 66.6-102.6 -54.9 24.2 -19.6 50 51 A T T > S+ 0 0 18 -2,-0.6 3,-1.1 1,-0.2 -1,-0.3 0.409 103.9 89.1 -92.8 0.0 -51.3 24.5 -20.7 51 52 A S G X> S+ 0 0 7 -3,-1.7 4,-3.2 1,-0.2 3,-2.5 0.847 74.0 71.8 -65.1 -32.9 -51.1 28.3 -20.6 52 53 A S G 34 S+ 0 0 6 -3,-0.4 -1,-0.2 6,-0.4 -2,-0.1 0.747 87.0 65.3 -53.0 -27.3 -50.1 28.1 -16.9 53 54 A F G <4 S+ 0 0 17 -3,-1.1 -1,-0.3 1,-0.1 3,-0.2 0.690 116.3 27.6 -68.5 -19.9 -46.7 26.8 -18.1 54 55 A T T <4 S+ 0 0 29 -3,-2.5 2,-0.6 1,-0.3 415,-0.3 0.770 134.7 31.5-105.2 -45.9 -46.1 30.2 -19.7 55 56 A F S >< S- 0 0 14 -4,-3.2 3,-2.1 1,-0.1 -1,-0.3 -0.896 73.2-165.9-114.4 95.5 -48.2 32.4 -17.5 56 57 A H T 3 S+ 0 0 5 -2,-0.6 458,-0.3 413,-0.4 461,-0.2 0.606 82.8 64.7 -65.5 -12.5 -48.0 30.8 -14.0 57 58 A G T 3 S+ 0 0 1 412,-0.3 2,-2.8 137,-0.2 -1,-0.3 0.701 75.6 95.1 -76.4 -19.8 -50.9 32.9 -12.6 58 59 A A < + 0 0 1 -3,-2.1 -6,-0.4 1,-0.2 -10,-0.3 -0.280 43.7 119.2 -74.1 58.2 -53.3 31.2 -15.1 59 60 A E + 0 0 20 -2,-2.8 -1,-0.2 134,-0.1 -2,-0.1 0.264 36.5 132.5-106.2 8.0 -54.5 28.6 -12.7 60 61 A H - 0 0 3 -3,-0.2 -13,-2.4 1,-0.1 -12,-0.5 -0.257 50.4-123.3 -68.3 150.0 -58.2 29.6 -12.7 61 62 A S B > -B 46 0B 3 448,-0.4 4,-1.4 -15,-0.3 -15,-0.2 -0.399 15.2-118.5 -93.1 164.7 -60.9 27.0 -13.1 62 63 A R H > S+ 0 0 22 -17,-2.6 4,-2.5 -20,-1.0 -19,-0.2 0.788 112.6 64.0 -68.5 -29.5 -63.8 26.6 -15.5 63 64 A F H > S+ 0 0 1 -21,-1.4 4,-1.9 -18,-0.3 -1,-0.2 0.906 102.2 47.5 -59.0 -45.2 -66.2 26.9 -12.5 64 65 A S H > S+ 0 0 0 -22,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 111.2 51.5 -69.7 -37.5 -65.1 30.4 -11.9 65 66 A H H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.925 108.2 51.9 -58.8 -47.5 -65.5 31.3 -15.6 66 67 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.853 108.6 50.1 -60.5 -38.2 -69.0 29.8 -15.7 67 68 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.888 111.0 50.8 -64.3 -40.0 -70.1 32.0 -12.7 68 69 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.894 107.7 50.5 -65.6 -43.5 -68.6 35.0 -14.4 69 70 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.938 112.4 49.3 -59.6 -43.4 -70.5 34.3 -17.7 70 71 A Y H X S+ 0 0 3 -4,-2.0 4,-2.8 36,-0.2 -2,-0.2 0.916 110.4 50.5 -58.2 -44.5 -73.7 34.0 -15.5 71 72 A E H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 110.9 46.5 -66.3 -43.2 -72.9 37.3 -13.7 72 73 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.952 113.0 51.5 -60.4 -47.8 -72.4 39.4 -16.9 73 74 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.924 108.5 51.1 -52.9 -50.4 -75.6 37.8 -18.3 74 75 A R H X S+ 0 0 27 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.888 108.5 51.9 -52.4 -45.9 -77.4 38.8 -15.1 75 76 A R H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.917 111.0 47.6 -59.5 -44.6 -76.1 42.4 -15.5 76 77 A I H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.947 111.3 50.1 -61.6 -49.2 -77.4 42.5 -19.1 77 78 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.892 111.0 49.7 -55.9 -43.3 -80.8 41.1 -18.2 78 79 A E H X S+ 0 0 56 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.925 113.2 46.3 -58.7 -47.1 -81.1 43.7 -15.3 79 80 A I H X S+ 0 0 23 -4,-2.2 4,-1.9 2,-0.2 5,-0.4 0.886 112.7 50.4 -64.4 -42.0 -80.2 46.6 -17.8 80 81 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 14,-0.3 0.918 112.8 45.0 -63.2 -46.9 -82.6 45.3 -20.4 81 82 A Q H < S+ 0 0 74 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.855 116.2 47.5 -66.1 -34.6 -85.6 45.0 -18.0 82 83 A R H < S+ 0 0 103 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.817 132.0 12.2 -75.4 -32.9 -84.8 48.4 -16.5 83 84 A N H < S+ 0 0 72 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.601 130.5 36.2-121.4 -21.4 -84.4 50.3 -19.8 84 85 A Y S < S+ 0 0 45 -4,-2.5 10,-2.5 -5,-0.4 -2,-0.1 -0.264 70.4 153.8-142.1 45.6 -85.6 48.3 -22.7 85 86 A S B >> -c 94 0C 16 -4,-0.3 4,-3.0 8,-0.3 3,-1.0 -0.387 55.0-118.3 -79.7 157.6 -88.6 46.2 -21.8 86 87 A V H 3> S+ 0 0 64 8,-1.9 4,-2.4 1,-0.2 6,-0.1 0.873 112.3 71.4 -56.0 -39.2 -91.3 45.0 -24.3 87 88 A E H 34 S+ 0 0 194 7,-0.3 -1,-0.2 1,-0.2 8,-0.0 0.838 116.4 20.0 -46.9 -38.4 -93.7 47.1 -22.2 88 89 A R H <4 S+ 0 0 157 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.803 135.2 33.5-102.8 -35.7 -92.0 50.2 -23.7 89 90 A L H >< S- 0 0 40 -4,-3.0 3,-1.1 1,-0.3 2,-0.3 0.583 84.0-157.6-100.8 -12.0 -90.2 49.1 -26.9 90 91 A G G >< S+ 0 0 30 -4,-2.4 3,-1.8 -5,-0.3 -1,-0.3 -0.542 73.5 2.1 71.4-128.8 -92.5 46.3 -28.2 91 92 A E G 3 S+ 0 0 129 -2,-0.3 -1,-0.2 1,-0.3 122,-0.1 0.675 134.4 56.0 -67.8 -20.0 -90.9 43.8 -30.5 92 93 A N G < S+ 0 0 59 -3,-1.1 -1,-0.3 121,-0.1 -2,-0.2 0.351 98.6 88.0 -89.6 4.5 -87.5 45.6 -30.1 93 94 A G S < S- 0 0 3 -3,-1.8 2,-0.4 -7,-0.1 -8,-0.3 -0.349 81.8-101.4 -97.9 177.9 -87.7 45.2 -26.3 94 95 A W B -c 85 0C 1 -10,-2.5 -8,-1.9 -14,-0.3 2,-0.7 -0.844 20.2-143.5-103.5 133.7 -86.7 42.5 -23.9 95 96 A N > - 0 0 67 -2,-0.4 3,-2.2 -10,-0.2 4,-0.1 -0.883 7.0-157.2 -97.6 111.6 -89.2 40.0 -22.4 96 97 A D G > S+ 0 0 44 -2,-0.7 3,-1.1 1,-0.3 4,-0.3 0.531 85.2 79.5 -74.0 -5.9 -88.1 39.4 -18.8 97 98 A D G 3 S+ 0 0 130 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.623 88.6 61.0 -63.5 -15.9 -89.9 36.1 -18.8 98 99 A E G <> S+ 0 0 28 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.511 77.9 94.6 -86.9 -8.6 -86.8 34.9 -20.6 99 100 A R H <> S+ 0 0 18 -3,-1.1 4,-2.5 1,-0.2 5,-0.2 0.905 82.1 47.1 -53.0 -52.4 -84.5 35.8 -17.7 100 101 A L H > S+ 0 0 5 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.894 112.3 48.8 -63.6 -43.5 -84.3 32.4 -16.1 101 102 A I H > S+ 0 0 5 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.918 112.6 49.1 -61.1 -42.8 -83.6 30.5 -19.3 102 103 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 112.7 47.5 -61.9 -46.2 -80.9 32.9 -20.2 103 104 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.865 111.8 49.1 -64.2 -40.4 -79.2 32.7 -16.8 104 105 A C H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.869 112.9 48.0 -67.2 -40.7 -79.4 28.9 -16.6 105 106 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.858 110.4 51.1 -67.4 -41.0 -77.8 28.6 -20.1 106 107 A A H < S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.945 113.1 45.7 -61.3 -48.2 -75.1 31.1 -19.3 107 108 A L H < S+ 0 0 0 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.822 120.9 39.3 -61.7 -30.8 -74.2 29.1 -16.1 108 109 A L H >< S+ 0 0 0 -4,-1.4 3,-2.1 1,-0.2 4,-0.3 0.507 82.0 101.8-103.2 -3.8 -74.3 25.7 -18.0 109 110 A H T 3< S+ 0 0 19 -4,-1.2 3,-0.3 -3,-0.5 -1,-0.2 0.804 92.1 35.2 -55.6 -35.6 -72.7 26.6 -21.4 110 111 A D T > S+ 0 0 15 -4,-0.3 3,-1.6 -3,-0.2 -1,-0.3 0.238 82.7 110.3-103.9 15.5 -69.3 25.0 -20.5 111 112 A V T < S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.779 72.5 59.3 -65.2 -26.8 -70.6 22.1 -18.4 112 113 A G T 3 S+ 0 0 0 -4,-0.3 -1,-0.3 -3,-0.3 19,-0.1 0.545 78.7 115.9 -79.9 -7.3 -69.5 19.5 -21.0 113 114 A H < - 0 0 16 -3,-1.6 3,-0.1 18,-0.1 -51,-0.0 -0.407 45.5-168.5 -65.3 134.7 -65.9 20.5 -20.9 114 115 A G > - 0 0 0 1,-0.2 3,-0.8 -2,-0.1 182,-0.1 -0.473 42.6 -53.8-104.6-173.2 -63.4 17.8 -19.7 115 116 A P T 3 S- 0 0 0 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 -0.385 120.8 -8.3 -65.6 138.4 -59.7 18.2 -18.7 116 117 A Y T >> S- 0 0 24 -70,-0.3 4,-2.6 1,-0.1 3,-0.6 0.894 85.3-172.4 40.4 58.9 -57.5 19.8 -21.4 117 118 A S H <> S+ 0 0 11 -3,-0.8 4,-2.8 1,-0.2 5,-0.2 0.770 70.4 54.9 -63.4 -33.0 -60.5 19.5 -23.7 118 119 A H H 3> S+ 0 0 62 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.912 116.5 38.2 -63.3 -44.8 -58.9 20.5 -27.1 119 120 A T H <> S+ 0 0 4 -3,-0.6 4,-1.9 2,-0.2 5,-0.2 0.903 116.7 52.7 -69.8 -41.6 -56.2 17.8 -26.7 120 121 A F H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.3 6,-0.5 0.885 107.1 50.8 -64.2 -41.9 -58.7 15.3 -25.2 121 122 A E H X S+ 0 0 45 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.811 110.5 51.9 -65.4 -31.1 -61.2 15.8 -28.1 122 123 A H H < S+ 0 0 127 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.873 118.3 33.8 -71.6 -40.3 -58.3 15.1 -30.6 123 124 A I H < S+ 0 0 13 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.819 133.9 26.2 -86.0 -33.0 -57.1 11.9 -28.9 124 125 A F H < S- 0 0 18 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.355 98.3-122.8-117.4 3.5 -60.5 10.5 -27.7 125 126 A D < + 0 0 145 -4,-1.0 -4,-0.2 -5,-0.2 -3,-0.1 0.740 52.6 161.6 54.9 30.7 -62.9 12.1 -30.2 126 127 A T - 0 0 8 -6,-0.5 2,-0.3 -9,-0.1 -1,-0.2 -0.268 29.2-153.2 -65.1 157.2 -64.9 13.7 -27.4 127 128 A N > - 0 0 81 -15,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.863 3.8-163.4-138.6 108.1 -67.3 16.7 -28.2 128 129 A H H > S+ 0 0 51 -2,-0.3 4,-2.2 1,-0.2 -16,-0.2 0.775 88.5 55.4 -66.3 -28.4 -67.9 19.0 -25.3 129 130 A E H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 108.6 47.0 -68.3 -45.1 -71.0 20.6 -26.9 130 131 A A H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.885 113.6 49.5 -62.0 -39.6 -72.7 17.3 -27.3 131 132 A I H X S+ 0 0 8 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.857 106.3 54.8 -70.7 -38.2 -71.8 16.4 -23.8 132 133 A T H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.935 111.2 46.1 -53.5 -48.2 -73.1 19.7 -22.4 133 134 A V H X S+ 0 0 37 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.848 112.5 51.5 -65.7 -33.3 -76.4 18.9 -24.2 134 135 A Q H X S+ 0 0 77 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.908 109.3 48.3 -68.6 -44.4 -76.2 15.4 -22.7 135 136 A I H < S+ 0 0 0 -4,-2.9 9,-0.6 1,-0.2 3,-0.3 0.909 113.9 48.1 -61.2 -43.1 -75.7 16.6 -19.1 136 137 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 121.2 33.9 -67.5 -32.2 -78.6 19.1 -19.5 137 138 A T H < S+ 0 0 53 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.387 92.4 95.8-112.0 2.1 -81.1 16.5 -20.9 138 139 A S >< - 0 0 19 -4,-1.2 3,-2.0 -3,-0.3 6,-0.4 -0.875 65.2-142.4-102.5 121.9 -80.2 13.2 -19.2 139 140 A P T 3 S+ 0 0 79 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.691 95.1 69.6 -50.3 -30.1 -82.3 12.2 -16.1 140 141 A E T 3 S+ 0 0 108 4,-0.1 2,-0.3 5,-0.0 -5,-0.1 0.595 87.0 89.5 -65.3 -12.9 -79.2 10.6 -14.3 141 142 A T S <> S- 0 0 1 -3,-2.0 4,-2.0 -6,-0.2 5,-0.1 -0.647 73.7-141.9 -94.8 142.2 -77.8 14.2 -13.9 142 143 A E H > S+ 0 0 84 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.860 105.9 58.9 -65.3 -38.3 -78.4 16.6 -11.0 143 144 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.957 107.5 45.6 -52.0 -54.3 -78.5 19.4 -13.6 144 145 A Y H > S+ 0 0 44 -9,-0.6 4,-3.0 -6,-0.4 5,-0.2 0.917 110.4 53.4 -58.3 -46.9 -81.4 17.7 -15.3 145 146 A Q H X S+ 0 0 86 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.910 111.0 47.2 -55.8 -43.3 -83.2 17.0 -12.1 146 147 A I H X S+ 0 0 10 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.928 115.1 44.6 -63.5 -44.3 -82.9 20.7 -11.2 147 148 A L H >X S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-1.0 0.869 106.3 59.6 -71.5 -36.3 -84.1 21.9 -14.6 148 149 A N H 3< S+ 0 0 63 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 98.5 60.0 -63.6 -24.9 -87.0 19.4 -14.8 149 150 A R H 3< S+ 0 0 138 -4,-0.9 -145,-0.3 -3,-0.5 -1,-0.3 0.772 96.6 62.7 -71.3 -27.5 -88.5 20.9 -11.6 150 151 A V H << S- 0 0 16 -3,-1.0 -145,-0.4 -4,-0.6 2,-0.3 0.982 124.8 -37.6 -63.4 -60.6 -88.8 24.3 -13.3 151 152 A S >< - 0 0 42 -4,-1.0 3,-0.8 1,-0.1 -1,-0.3 -0.947 62.8 -94.2-158.3 171.2 -91.2 23.2 -16.0 152 153 A A T 3 S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.929 120.4 30.0 -57.6 -54.2 -91.9 20.2 -18.2 153 154 A D T 3> S+ 0 0 58 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 0.340 90.6 107.0 -90.8 6.2 -89.9 21.2 -21.3 154 155 A F H <> S+ 0 0 3 -3,-0.8 4,-3.0 1,-0.2 5,-0.2 0.844 72.5 53.4 -62.1 -44.5 -87.3 23.3 -19.5 155 156 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.957 115.1 41.3 -53.8 -52.3 -84.2 21.1 -19.8 156 157 A E H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.782 113.6 54.9 -67.8 -28.6 -84.6 20.7 -23.6 157 158 A K H X S+ 0 0 70 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.963 109.1 46.9 -64.5 -52.8 -85.4 24.5 -23.8 158 159 A V H >X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 3,-0.6 0.876 112.3 49.9 -52.6 -46.1 -82.2 25.3 -22.0 159 160 A A H 3X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.845 104.2 59.7 -64.0 -34.0 -80.2 23.0 -24.2 160 161 A S H 3<>S+ 0 0 20 -4,-1.5 5,-2.5 1,-0.2 6,-1.8 0.734 100.6 55.4 -69.2 -24.6 -81.8 24.6 -27.3 161 162 A V H X<5S+ 0 0 1 -4,-1.0 3,-0.9 -3,-0.6 -1,-0.2 0.924 108.7 47.6 -66.9 -47.4 -80.3 27.9 -26.3 162 163 A I H 3<5S+ 0 0 13 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.1 0.860 113.6 45.9 -63.3 -38.2 -76.8 26.4 -26.2 163 164 A T T 3<5S- 0 0 35 -4,-2.1 -1,-0.3 -30,-0.0 -2,-0.2 0.501 114.2-122.4 -82.8 -3.7 -77.4 24.7 -29.6 164 165 A K T < 5S+ 0 0 76 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.677 82.7 114.6 71.8 21.9 -78.7 28.1 -30.8 165 166 A Q < + 0 0 146 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.508 37.8 118.2 -96.9 -8.9 -82.1 26.7 -31.9 166 167 A Y S S- 0 0 33 -6,-1.8 2,-0.6 1,-0.1 6,-0.2 -0.395 71.3-128.7 -59.5 129.9 -84.0 28.6 -29.3 167 168 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.045 85.7 83.4 -79.8 32.4 -86.5 30.9 -31.2 168 169 A N >> - 0 0 25 -2,-0.6 4,-2.4 1,-0.1 3,-0.7 -0.899 57.4-167.2-131.4 105.7 -85.4 34.1 -29.4 169 170 A P H 3> S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 48,-0.2 0.792 88.3 61.0 -63.8 -28.5 -82.3 35.8 -30.9 170 171 A Q H 34 S+ 0 0 9 46,-0.2 4,-0.5 2,-0.2 45,-0.1 0.865 110.9 40.9 -62.9 -37.3 -81.9 38.1 -27.9 171 172 A V H X> S+ 0 0 0 -3,-0.7 4,-1.0 2,-0.2 3,-0.6 0.932 116.8 48.0 -75.5 -49.0 -81.5 35.0 -25.7 172 173 A V H >X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 3,-0.6 0.902 112.4 47.8 -58.0 -46.0 -79.3 33.1 -28.2 173 174 A Q H 3< S+ 0 0 35 -4,-2.8 6,-0.2 1,-0.2 -1,-0.2 0.619 103.4 61.7 -76.9 -12.2 -76.9 36.1 -28.9 174 175 A M H <4 S+ 0 0 2 -3,-0.6 7,-1.9 -4,-0.5 8,-0.3 0.807 116.0 32.2 -78.3 -29.1 -76.5 36.8 -25.2 175 176 A I H << S+ 0 0 8 -4,-1.0 7,-0.4 -3,-0.6 2,-0.4 0.831 134.4 19.9 -92.0 -39.1 -74.9 33.4 -24.7 176 177 A S S < S+ 0 0 38 -4,-2.5 -1,-0.3 -5,-0.2 2,-0.2 -0.915 82.9 96.9-146.8 108.3 -73.3 33.0 -28.1 177 178 A S S > S- 0 0 21 -2,-0.4 3,-0.5 -3,-0.2 6,-0.1 -0.847 85.2 -73.0-159.8-164.8 -72.3 35.6 -30.6 178 179 A Q T 3 S+ 0 0 19 204,-0.3 207,-0.1 206,-0.3 205,-0.1 0.582 133.3 26.9 -76.6 -9.0 -69.3 37.7 -31.7 179 180 A I T 3 S+ 0 0 10 -6,-0.2 -1,-0.2 205,-0.1 2,-0.1 -0.259 89.1 146.0-150.2 51.6 -69.7 39.7 -28.4 180 181 A D <> - 0 0 5 -3,-0.5 4,-2.2 -5,-0.1 3,-0.3 -0.359 64.5-100.6 -91.7 169.2 -71.4 37.5 -25.9 181 182 A A H > S+ 0 0 1 -7,-1.9 4,-2.3 1,-0.2 5,-0.2 0.810 120.3 61.1 -57.6 -31.7 -71.0 37.2 -22.1 182 183 A D H > S+ 0 0 30 -7,-0.4 4,-2.0 -8,-0.3 -1,-0.2 0.931 107.3 40.0 -61.8 -53.6 -68.9 34.2 -22.6 183 184 A R H > S+ 0 0 25 -3,-0.3 4,-2.5 1,-0.2 5,-0.3 0.907 115.1 54.6 -61.1 -44.7 -66.2 35.9 -24.6 184 185 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.871 109.6 45.8 -61.7 -38.8 -66.4 39.0 -22.4 185 186 A D H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.950 114.2 45.4 -73.3 -45.6 -65.8 37.0 -19.2 186 187 A Y H X S+ 0 0 22 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.904 110.8 52.5 -69.7 -37.8 -62.9 34.9 -20.4 187 188 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.963 118.3 39.3 -55.0 -48.7 -61.0 37.8 -22.0 188 189 A L H X S+ 0 0 19 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.917 120.2 43.9 -67.1 -44.2 -61.3 39.6 -18.7 189 190 A R H X S+ 0 0 0 -4,-3.5 4,-2.2 2,-0.2 5,-0.2 0.939 114.4 48.9 -71.1 -46.5 -60.7 36.6 -16.5 190 191 A D H X S+ 0 0 1 -4,-3.2 4,-2.6 -5,-0.2 6,-0.3 0.922 112.5 48.4 -59.0 -48.1 -57.8 35.3 -18.6 191 192 A A H X>S+ 0 0 1 -4,-2.2 4,-1.1 -5,-0.4 5,-0.9 0.879 111.9 51.1 -55.4 -40.4 -56.1 38.8 -18.7 192 193 A Y H <5S+ 0 0 39 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.880 116.0 38.5 -67.7 -41.8 -56.5 39.1 -14.9 193 194 A F H <5S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.2 48.9 -84.6 -34.6 -55.0 35.7 -14.0 194 195 A T H <5S- 0 0 0 -4,-2.6 -137,-0.2 -5,-0.2 -1,-0.2 0.737 105.6-128.8 -70.0 -23.4 -52.2 35.7 -16.6 195 196 A G T <5 + 0 0 10 -4,-1.1 2,-0.4 1,-0.3 275,-0.2 0.655 60.9 139.5 80.6 16.5 -51.3 39.3 -15.4 196 197 A T < - 0 0 3 -5,-0.9 -1,-0.3 -6,-0.3 3,-0.2 -0.779 47.8-150.2 -90.5 136.7 -51.3 40.6 -19.0 197 198 A E S > S+ 0 0 87 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.736 77.9 85.7 -74.3 -20.7 -52.9 44.0 -19.4 198 199 A Y T 3 S+ 0 0 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43.6 119.4 -79.8 57.5 -58.0 31.3 -4.8 512 60 B E + 0 0 25 -2,-2.2 -1,-0.2 134,-0.1 -3,-0.1 0.258 36.0 134.5-104.6 12.4 -56.7 28.6 -7.1 513 61 B H - 0 0 1 -3,-0.2 -13,-3.1 -14,-0.1 -12,-0.5 -0.283 49.6-125.4 -67.9 146.0 -53.1 29.9 -7.1 514 62 B S B > -L 499 0G 3 -458,-0.3 4,-1.3 -15,-0.3 -15,-0.2 -0.318 16.7-115.9 -89.0 168.0 -50.2 27.4 -6.7 515 63 B R H > S+ 0 0 18 -17,-2.5 4,-2.6 -20,-1.2 -19,-0.2 0.785 113.0 67.3 -68.7 -28.1 -47.3 27.2 -4.3 516 64 B F H > S+ 0 0 0 -21,-1.7 4,-2.2 -18,-0.3 5,-0.2 0.954 101.0 44.7 -53.8 -54.2 -45.1 27.7 -7.3 517 65 B S H > S+ 0 0 0 1,-0.2 4,-2.0 -461,-0.2 -1,-0.2 0.877 111.6 53.2 -67.2 -35.4 -46.3 31.2 -7.9 518 66 B H H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.939 108.5 50.7 -58.6 -47.2 -46.0 32.1 -4.2 519 67 B S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 111.5 46.4 -57.8 -45.2 -42.3 30.8 -4.2 520 68 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.871 112.5 53.2 -64.2 -35.1 -41.4 32.9 -7.3 521 69 B G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 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112.9 45.6 -65.7 -42.2 -31.3 45.7 -4.8 532 80 B I H X S+ 0 0 17 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.891 113.2 51.2 -69.5 -40.0 -32.5 48.5 -2.5 533 81 B F H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 14,-0.4 0.860 113.1 44.6 -61.6 -41.0 -30.0 47.3 0.2 534 82 B Q H < S+ 0 0 75 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.942 116.9 44.7 -72.2 -46.6 -27.1 47.4 -2.3 535 83 B R H < S+ 0 0 39 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.891 132.6 16.1 -60.1 -44.6 -28.0 50.7 -3.8 536 84 B N H < S+ 0 0 5 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.756 130.9 31.5-107.6 -29.4 -28.7 52.5 -0.5 537 85 B Y S < S+ 0 0 28 -4,-1.8 10,-2.9 -5,-0.5 -3,-0.1 -0.180 72.4 153.9-134.2 41.1 -27.3 50.6 2.5 538 86 B S B >> -m 547 0H 16 -4,-0.5 4,-2.8 8,-0.3 3,-0.8 -0.264 56.1-117.3 -73.5 157.8 -24.2 48.7 1.5 539 87 B V H 3> S+ 0 0 66 8,-1.9 4,-3.0 1,-0.2 9,-0.1 0.869 115.5 67.1 -55.1 -40.7 -21.3 47.8 3.8 540 88 B E H 34 S+ 0 0 188 7,-0.3 -1,-0.2 1,-0.2 8,-0.1 0.849 114.3 27.5 -45.1 -42.1 -19.2 50.1 1.6 541 89 B R H <4 S+ 0 0 107 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 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0.441 78.9 93.6 -79.1 -0.9 -25.0 37.2 0.7 552 100 B R H <> S+ 0 0 28 -3,-1.1 4,-3.1 2,-0.2 5,-0.2 0.919 78.1 48.1 -64.7 -52.8 -27.4 37.7 -2.3 553 101 B L H > S+ 0 0 18 -3,-0.4 4,-2.9 -4,-0.3 5,-0.2 0.932 115.3 46.5 -58.5 -44.2 -27.4 34.3 -4.0 554 102 B I H > S+ 0 0 8 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.925 112.8 49.0 -65.6 -41.2 -27.9 32.4 -0.7 555 103 B T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 114.2 48.1 -60.5 -43.0 -30.7 34.9 0.3 556 104 B L H X S+ 0 0 4 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.902 112.7 46.6 -64.5 -46.1 -32.3 34.3 -3.2 557 105 B C H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.900 112.7 49.4 -61.6 -47.0 -32.0 30.5 -3.0 558 106 B A H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.906 111.4 50.3 -59.3 -43.9 -33.4 30.3 0.5 559 107 B A H < S+ 0 0 0 -4,-2.2 3,-0.4 -5,-0.2 4,-0.3 0.922 113.9 44.3 -60.2 -46.0 -36.3 32.6 -0.5 560 108 B L H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.853 121.3 38.9 -67.0 -34.3 -37.2 30.5 -3.6 561 109 B L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 4,-0.3 0.484 81.8 104.2 -99.0 -3.8 -36.9 27.2 -1.8 562 110 B H T 3< S+ 0 0 15 -4,-1.2 3,-0.2 -3,-0.4 -1,-0.2 0.766 91.9 33.3 -54.5 -31.2 -38.4 28.1 1.6 563 111 B D T > S+ 0 0 17 -3,-0.3 3,-2.1 -4,-0.3 -1,-0.3 0.291 81.4 111.6-109.5 10.9 -41.7 26.2 0.9 564 112 B V T < S+ 0 0 0 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.810 73.1 60.3 -58.9 -32.1 -40.4 23.4 -1.3 565 113 B G T 3 S+ 0 0 0 -4,-0.3 -1,-0.3 16,-0.3 2,-0.3 0.438 77.9 115.2 -76.4 -1.2 -41.3 20.8 1.5 566 114 B H < - 0 0 18 -3,-2.1 3,-0.1 18,-0.1 -51,-0.0 -0.541 46.7-168.6 -68.7 132.2 -45.0 21.6 1.4 567 115 B G > - 0 0 1 -2,-0.3 3,-0.6 1,-0.2 182,-0.1 -0.448 40.6 -55.3-104.3-172.9 -47.2 18.8 0.2 568 116 B P T 3 S- 0 0 1 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 -0.347 118.9 -1.9 -66.9 144.5 -50.9 18.9 -0.7 569 117 B Y T 3> S- 0 0 19 -70,-0.2 4,-2.5 3,-0.1 3,-0.4 0.892 83.4-166.8 40.6 62.5 -53.4 20.3 1.9 570 118 B S H <> S+ 0 0 6 -3,-0.6 4,-2.2 1,-0.2 5,-0.2 0.801 72.5 48.4 -54.5 -47.7 -50.6 20.8 4.3 571 119 B H H > S+ 0 0 77 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.900 118.2 40.8 -60.6 -44.4 -52.3 21.4 7.7 572 120 B T H > S+ 0 0 4 -3,-0.4 4,-2.0 2,-0.2 3,-0.4 0.936 113.8 51.8 -71.8 -47.8 -54.7 18.4 7.3 573 121 B F H X S+ 0 0 3 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.905 111.5 47.3 -54.7 -47.3 -52.1 16.0 5.9 574 122 B E H X S+ 0 0 43 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.731 109.1 55.1 -70.7 -25.6 -49.7 16.7 8.8 575 123 B H H < S+ 0 0 78 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.910 120.2 29.6 -70.3 -42.3 -52.4 16.3 11.4 576 124 B I H < S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.839 133.5 31.1 -88.3 -36.8 -53.3 12.8 10.1 577 125 B F H < S- 0 0 14 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.512 94.9-130.0-106.6 -8.2 -50.0 11.7 8.8 578 126 B D < + 0 0 146 -4,-0.9 2,-0.2 -5,-0.3 -4,-0.2 0.851 50.6 153.1 62.5 38.4 -47.5 13.5 11.1 579 127 B T - 0 0 7 -6,-0.2 2,-0.4 -9,-0.1 -1,-0.2 -0.559 34.9-146.8 -89.5 162.0 -45.3 14.9 8.4 580 128 B N > - 0 0 89 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.884 6.1-163.8-137.6 105.2 -43.4 18.2 8.8 581 129 B H H > S+ 0 0 49 -2,-0.4 4,-2.0 1,-0.2 -16,-0.3 0.715 89.6 57.2 -64.6 -26.1 -42.9 20.4 5.8 582 130 B E H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 109.8 43.8 -67.2 -48.5 -40.1 22.4 7.4 583 131 B A H > S+ 0 0 55 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.826 114.7 50.4 -65.7 -32.7 -38.0 19.3 8.0 584 132 B I H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.860 105.7 55.6 -72.9 -37.0 -38.8 18.0 4.5 585 133 B T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.943 111.8 44.2 -54.9 -48.4 -37.8 21.4 3.0 586 134 B V H X S+ 0 0 34 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.870 112.5 52.8 -65.0 -40.6 -34.4 20.9 4.7 587 135 B Q H X S+ 0 0 75 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.888 109.2 49.3 -57.7 -45.9 -34.4 17.2 3.5 588 136 B I H < S+ 0 0 0 -4,-2.9 9,-0.5 1,-0.2 3,-0.3 0.894 112.3 47.3 -63.8 -43.0 -35.0 18.4 -0.1 589 137 B I H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 121.7 35.1 -66.7 -35.2 -32.2 21.0 -0.0 590 138 B T H < S+ 0 0 35 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.375 92.7 97.4-108.2 3.1 -29.6 18.6 1.5 591 139 B S >< - 0 0 22 -4,-1.0 3,-2.2 -3,-0.3 6,-0.4 -0.870 64.2-144.7-100.4 121.0 -30.5 15.2 -0.1 592 140 B P T 3 S+ 0 0 85 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.627 94.8 70.2 -53.5 -19.8 -28.3 14.2 -3.1 593 141 B E T 3 S+ 0 0 102 4,-0.1 2,-0.2 5,-0.0 -5,-0.1 0.724 84.6 82.4 -72.0 -25.9 -31.4 12.5 -4.7 594 142 B T S <> S- 0 0 1 -3,-2.2 4,-1.9 -6,-0.2 5,-0.1 -0.548 77.4-135.8 -82.3 148.9 -33.2 15.8 -5.4 595 143 B E H > S+ 0 0 60 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.827 106.7 63.1 -69.5 -30.6 -32.4 18.0 -8.4 596 144 B V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 105.2 44.2 -56.9 -48.8 -32.4 21.0 -6.0 597 145 B Y H > S+ 0 0 52 -9,-0.5 4,-3.1 -6,-0.4 5,-0.3 0.935 108.8 55.4 -64.3 -50.2 -29.4 19.5 -4.1 598 146 B Q H X S+ 0 0 77 -4,-1.9 4,-0.9 -7,-0.2 -1,-0.2 0.877 111.3 47.9 -48.0 -41.1 -27.5 18.6 -7.3 599 147 B I H X S+ 0 0 5 -4,-2.0 4,-0.6 2,-0.2 3,-0.3 0.909 114.0 43.4 -67.4 -45.5 -27.9 22.3 -8.3 600 148 B L H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-1.0 0.875 107.5 59.3 -73.0 -37.5 -26.8 23.8 -5.0 601 149 B N H 3< S+ 0 0 60 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.781 100.3 58.5 -57.4 -31.2 -23.8 21.3 -4.6 602 150 B R H 3< S+ 0 0 150 -4,-0.9 -145,-0.3 -5,-0.3 -1,-0.2 0.724 98.1 58.3 -71.2 -25.8 -22.5 22.7 -7.9 603 151 B V H << S- 0 0 12 -3,-1.0 -145,-0.3 -4,-0.6 2,-0.2 0.939 138.2 -42.3 -66.2 -49.3 -22.4 26.2 -6.4 604 152 B S >< - 0 0 32 -4,-1.4 3,-1.9 -147,-0.1 -1,-0.3 -0.838 54.8-108.5-172.5 153.7 -20.1 24.7 -3.8 605 153 B A T 3 S+ 0 0 82 1,-0.3 4,-0.3 -2,-0.2 -3,-0.1 0.810 120.2 46.4 -57.1 -34.2 -20.0 21.5 -1.8 606 154 B D T 3> S+ 0 0 82 1,-0.2 4,-1.5 2,-0.1 -1,-0.3 0.446 90.4 91.3 -84.5 -2.6 -20.9 23.3 1.4 607 155 B F H <> S+ 0 0 19 -3,-1.9 4,-2.5 -7,-0.2 5,-0.2 0.853 76.4 56.0 -70.3 -40.9 -23.7 25.3 -0.2 608 156 B P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.918 110.6 46.8 -55.4 -44.3 -26.8 23.1 0.4 609 157 B E H > S+ 0 0 125 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.866 110.8 51.8 -66.5 -37.2 -26.1 23.1 4.1 610 158 B K H X S+ 0 0 91 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.939 110.5 47.9 -62.7 -46.5 -25.7 26.8 4.2 611 159 B V H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.8 0.911 112.9 49.3 -60.2 -44.2 -29.0 27.3 2.3 612 160 B A H 3X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.881 104.6 58.7 -60.4 -39.7 -30.7 24.9 4.8 613 161 B S H 3<>S+ 0 0 24 -4,-2.3 5,-2.6 1,-0.2 6,-1.9 0.694 100.8 57.2 -66.8 -19.6 -29.1 26.8 7.8 614 162 B V H X<5S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.8 -1,-0.2 0.925 109.3 43.9 -71.2 -48.3 -30.9 30.0 6.6 615 163 B I H 3<5S+ 0 0 11 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.892 114.3 48.7 -64.1 -41.3 -34.3 28.3 6.7 616 164 B T T 3<5S- 0 0 46 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.463 113.2-124.9 -78.3 1.3 -33.5 26.7 10.1 617 165 B K T < 5S+ 0 0 113 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.737 81.9 113.6 62.9 27.5 -32.4 30.2 11.2 618 166 B Q < + 0 0 148 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.450 37.4 116.9-104.3 -4.5 -28.9 29.0 12.2 619 167 B Y S S- 0 0 31 -6,-1.9 6,-0.2 1,-0.1 5,-0.0 -0.492 72.7-126.0 -66.0 130.4 -27.0 30.9 9.5 620 168 B P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.498 87.6 85.0 -65.4 -3.6 -24.7 33.5 11.1 621 169 B N > - 0 0 24 1,-0.2 4,-2.4 2,-0.0 3,-0.3 -0.859 57.1-168.8-101.3 111.4 -26.1 36.5 9.2 622 170 B P H > S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.834 86.3 59.3 -68.1 -32.0 -29.2 38.0 10.9 623 171 B Q H > S+ 0 0 8 46,-0.2 4,-1.3 44,-0.2 5,-0.1 0.883 110.5 42.9 -60.6 -39.2 -30.0 40.2 8.0 624 172 B V H > S+ 0 0 0 -3,-0.3 4,-1.4 2,-0.2 5,-0.2 0.925 114.7 49.1 -72.2 -47.2 -30.2 37.1 5.8 625 173 B V H X S+ 0 0 13 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.909 114.2 45.5 -58.0 -43.5 -32.2 35.1 8.3 626 174 B Q H < S+ 0 0 52 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.751 104.9 59.8 -79.5 -24.2 -34.7 37.9 9.0 627 175 B M H < S+ 0 0 3 -4,-1.3 7,-1.6 -5,-0.2 8,-0.4 0.875 116.7 35.8 -63.6 -37.1 -35.2 38.7 5.3 628 176 B I H < S+ 0 0 11 -4,-1.4 7,-0.4 1,-0.2 2,-0.4 0.887 132.7 18.9 -83.9 -43.6 -36.4 35.1 4.9 629 177 B S S < S+ 0 0 41 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 -0.847 85.1 90.3-145.3 102.8 -38.2 34.7 8.2 630 178 B S S S- 0 0 35 -2,-0.4 3,-0.5 -3,-0.2 6,-0.2 -0.913 84.7 -68.1-165.4-172.1 -39.4 37.3 10.7 631 179 B Q S S+ 0 0 73 196,-0.4 2,-0.4 1,-0.3 197,-0.1 0.804 128.5 27.7 -62.5 -35.3 -42.6 39.3 11.4 632 180 B I S S+ 0 0 6 -6,-0.1 -1,-0.3 4,-0.0 2,-0.2 -0.774 90.9 143.0-127.6 85.7 -42.4 41.4 8.2 633 181 B D > - 0 0 4 -3,-0.5 4,-2.2 -2,-0.4 5,-0.2 -0.678 66.3 -99.8-123.0 171.6 -40.6 39.3 5.6 634 182 B A H > S+ 0 0 0 -7,-1.6 4,-2.3 -2,-0.2 5,-0.2 0.847 119.4 59.4 -59.1 -35.1 -40.8 38.6 1.9 635 183 B D H > S+ 0 0 34 -7,-0.4 4,-2.1 -8,-0.4 -1,-0.2 0.938 111.3 36.5 -57.6 -56.9 -42.7 35.4 2.7 636 184 B R H > S+ 0 0 55 -6,-0.2 4,-2.1 1,-0.2 5,-0.2 0.815 114.4 56.6 -70.1 -34.6 -45.6 37.1 4.5 637 185 B M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.896 109.9 46.3 -67.9 -38.8 -45.6 40.1 2.2 638 186 B D H X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.2 5,-0.3 0.940 112.8 45.8 -68.7 -48.6 -46.1 37.9 -0.8 639 187 B Y H X S+ 0 0 30 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.897 112.3 51.3 -69.1 -33.9 -48.8 35.6 0.5 640 188 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.930 117.4 40.4 -62.6 -42.7 -50.8 38.5 1.9 641 189 B L H X S+ 0 0 18 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 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0.933 112.7 49.4 -61.7 -49.0 -78.1 69.8 -5.7 1005 106 C A H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.928 111.5 49.8 -55.1 -46.7 -76.7 69.9 -2.2 1006 107 C A H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.911 113.9 44.6 -60.5 -45.5 -74.1 67.3 -3.1 1007 108 C L H 3< S+ 0 0 1 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.855 120.6 40.2 -66.6 -35.3 -73.0 69.2 -6.2 1008 109 C L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.401 81.7 104.7 -97.6 2.5 -73.0 72.6 -4.4 1009 110 C H T << S+ 0 0 19 -4,-0.9 3,-0.2 -3,-0.5 -1,-0.2 0.794 90.4 32.4 -60.7 -32.1 -71.5 71.6 -1.1 1010 111 C D T > S+ 0 0 14 -3,-0.3 3,-1.8 -4,-0.3 -1,-0.3 0.152 82.6 114.1-108.7 15.5 -68.0 73.1 -1.8 1011 112 C V T < S+ 0 0 0 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.745 72.4 57.0 -64.9 -23.0 -69.1 76.1 -4.0 1012 113 C G T 3 S+ 0 0 0 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.375 79.4 116.4 -91.1 5.9 -67.9 78.7 -1.4 1013 114 C H < - 0 0 16 -3,-1.8 3,-0.1 18,-0.1 -3,-0.0 -0.536 46.0-166.5 -71.2 138.1 -64.3 77.5 -1.3 1014 115 C G > - 0 0 0 -2,-0.2 3,-0.8 1,-0.2 4,-0.1 -0.440 42.0 -55.1-104.3-169.7 -61.7 79.9 -2.6 1015 116 C P T 3 S- 0 0 0 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 -0.437 121.5 -8.5 -66.7 141.1 -58.0 79.3 -3.5 1016 117 C Y T >> S- 0 0 21 -70,-0.2 4,-3.2 1,-0.1 3,-0.5 0.860 85.3-175.1 36.2 58.5 -56.0 77.7 -0.7 1017 118 C S H <> S+ 0 0 9 -3,-0.8 4,-3.6 1,-0.3 5,-0.3 0.827 70.5 56.6 -62.2 -37.7 -59.0 78.2 1.5 1018 119 C H H 3> S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.925 117.6 35.3 -56.3 -49.1 -57.5 77.0 4.8 1019 120 C T H <> S+ 0 0 4 -3,-0.5 4,-2.2 2,-0.2 5,-0.3 0.916 117.0 54.0 -67.5 -49.1 -54.7 79.5 4.6 1020 121 C F H X S+ 0 0 2 -4,-3.2 4,-3.1 -5,-0.3 5,-0.4 0.914 109.1 48.6 -54.0 -46.3 -56.9 82.2 3.0 1021 122 C E H X S+ 0 0 44 -4,-3.6 4,-1.2 1,-0.2 -1,-0.2 0.833 109.7 53.8 -63.8 -34.2 -59.4 81.8 5.8 1022 123 C H H < S+ 0 0 124 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.889 119.5 30.9 -65.8 -40.9 -56.6 82.2 8.3 1023 124 C I H < S+ 0 0 14 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.904 132.5 29.8 -85.9 -42.9 -55.2 85.4 6.9 1024 125 C F H < S- 0 0 11 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.460 97.8-125.5-101.9 -4.4 -58.4 87.0 5.5 1025 126 C D < + 0 0 145 -4,-1.2 -4,-0.2 -5,-0.4 2,-0.2 0.887 52.2 157.4 61.8 42.4 -61.0 85.6 8.0 1026 127 C T - 0 0 7 -6,-0.3 2,-0.4 -9,-0.2 -1,-0.2 -0.555 33.5-146.8 -93.1 164.8 -63.3 84.2 5.3 1027 128 C N > - 0 0 85 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.905 6.4-165.8-138.0 103.6 -65.8 81.3 5.9 1028 129 C H H > S+ 0 0 54 -2,-0.4 4,-2.3 1,-0.2 -16,-0.2 0.804 91.4 53.1 -64.5 -33.2 -66.4 78.9 3.0 1029 130 C E H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.3 46.1 -62.9 -47.0 -69.6 77.5 4.6 1030 131 C A H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.896 115.1 48.3 -60.8 -39.7 -71.1 81.0 5.1 1031 132 C I H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.851 106.9 54.3 -74.9 -35.8 -70.1 81.8 1.5 1032 133 C T H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.951 112.5 44.6 -56.4 -51.0 -71.6 78.5 0.0 1033 134 C V H X S+ 0 0 33 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.857 112.8 52.4 -62.0 -36.5 -74.9 79.4 1.7 1034 135 C Q H X S+ 0 0 80 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.899 109.4 48.6 -66.2 -40.7 -74.5 83.0 0.5 1035 136 C I H < S+ 0 0 0 -4,-2.7 9,-0.7 1,-0.2 -2,-0.2 0.872 113.0 48.9 -63.6 -37.7 -73.9 81.8 -3.1 1036 137 C I H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 119.3 35.8 -72.4 -29.5 -77.0 79.6 -2.9 1037 138 C T H < S+ 0 0 56 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.459 92.1 96.4-112.9 -4.2 -79.3 82.2 -1.5 1038 139 C S >< - 0 0 19 -4,-1.3 3,-1.6 1,-0.1 6,-0.4 -0.813 63.9-143.2 -95.6 126.7 -78.2 85.5 -3.3 1039 140 C P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.643 94.6 70.0 -56.0 -26.0 -80.1 86.6 -6.4 1040 141 C E T 3 S+ 0 0 111 4,-0.1 2,-0.2 5,-0.0 -5,-0.1 0.748 87.5 82.7 -65.9 -24.7 -77.0 88.0 -8.1 1041 142 C T S <> S- 0 0 1 -3,-1.6 4,-1.6 -6,-0.2 5,-0.1 -0.527 76.2-136.2 -87.9 149.1 -75.6 84.4 -8.6 1042 143 C E H > S+ 0 0 85 2,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.830 106.5 60.8 -65.3 -36.9 -76.5 81.9 -11.4 1043 144 C V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.969 106.2 46.6 -54.6 -53.8 -76.8 79.2 -8.8 1044 145 C Y H > S+ 0 0 45 -9,-0.7 4,-3.1 -6,-0.4 5,-0.3 0.883 109.0 53.8 -54.5 -45.8 -79.6 81.1 -7.1 1045 146 C Q H X S+ 0 0 102 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.881 112.5 44.6 -61.4 -38.0 -81.4 81.8 -10.4 1046 147 C I H X S+ 0 0 22 -4,-2.1 4,-0.6 -3,-0.2 3,-0.4 0.957 116.4 44.8 -67.3 -52.5 -81.4 78.1 -11.2 1047 148 C L H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-1.2 0.907 111.9 52.2 -60.8 -44.6 -82.5 77.0 -7.7 1048 149 C N H 3< S+ 0 0 51 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 101.2 62.7 -60.6 -30.1 -85.2 79.7 -7.5 1049 150 C R H 3< S+ 0 0 147 -4,-1.0 -145,-0.3 -3,-0.4 -1,-0.3 0.682 98.3 55.8 -72.0 -18.3 -86.5 78.5 -10.8 1050 151 C V H << S- 0 0 15 -3,-1.3 -145,-0.3 -4,-0.6 2,-0.2 0.873 136.6 -41.1 -76.7 -43.8 -87.3 75.1 -9.2 1051 152 C S >< - 0 0 40 -4,-1.2 3,-2.2 1,-0.1 -1,-0.3 -0.768 53.9-107.4-177.6 148.4 -89.4 76.9 -6.6 1052 153 C A T 3 S+ 0 0 82 1,-0.3 4,-0.4 -2,-0.2 -3,-0.1 0.818 120.2 46.7 -47.3 -38.6 -89.1 80.2 -4.5 1053 154 C D T 3> S+ 0 0 75 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.475 90.6 87.0 -85.2 -3.9 -88.3 78.1 -1.3 1054 155 C F H <> S+ 0 0 17 -3,-2.2 4,-3.0 -7,-0.2 5,-0.3 0.919 81.5 54.5 -69.7 -47.7 -85.8 75.8 -3.0 1055 156 C P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.932 111.7 46.8 -47.0 -50.5 -82.6 78.0 -2.5 1056 157 C E H > S+ 0 0 151 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.863 113.0 50.1 -60.6 -38.9 -83.3 78.2 1.3 1057 158 C K H X S+ 0 0 89 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.920 110.7 47.3 -66.9 -47.0 -84.0 74.4 1.4 1058 159 C V H >X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 3,-0.8 0.951 112.4 51.0 -57.3 -50.4 -80.8 73.5 -0.5 1059 160 C A H 3X S+ 0 0 7 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.860 105.7 56.8 -51.2 -40.4 -78.9 75.9 1.9 1060 161 C S H 3<>S+ 0 0 23 -4,-1.7 6,-1.9 1,-0.2 5,-1.8 0.759 100.3 57.2 -69.1 -27.3 -80.5 74.1 4.9 1061 162 C V H X<5S+ 0 0 0 -4,-1.2 3,-0.7 -3,-0.8 -1,-0.2 0.883 108.7 47.1 -64.9 -41.3 -79.2 70.7 3.8 1062 163 C I H 3<5S+ 0 0 13 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.771 111.9 48.2 -74.7 -27.1 -75.6 72.1 3.9 1063 164 C T T 3<5S- 0 0 34 -4,-1.3 -1,-0.2 -30,-0.0 -2,-0.2 0.387 112.7-122.5 -91.5 4.5 -76.2 73.8 7.3 1064 165 C K T < 5S+ 0 0 84 -3,-0.7 -3,-0.2 -5,-0.1 -4,-0.1 0.576 84.3 114.4 63.4 14.9 -77.6 70.4 8.5 1065 166 C Q < + 0 0 149 -5,-1.8 -4,-0.2 -6,-0.2 -5,-0.1 0.566 37.8 114.7 -88.5 -12.6 -80.9 72.2 9.5 1066 167 C Y S S- 0 0 31 -6,-1.9 6,-0.1 1,-0.1 -9,-0.0 -0.404 72.8-129.2 -58.1 135.0 -82.9 70.3 6.8 1067 168 C P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.499 84.2 86.8 -72.1 -5.1 -85.4 68.1 8.7 1068 169 C N > - 0 0 29 1,-0.2 4,-2.4 2,-0.0 3,-0.4 -0.831 58.0-165.5-100.2 106.4 -84.6 64.8 6.8 1069 170 C P H > S+ 0 0 44 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.847 88.3 57.2 -60.0 -36.4 -81.7 63.0 8.5 1070 171 C Q H > S+ 0 0 10 46,-0.2 4,-1.2 2,-0.2 5,-0.1 0.905 110.7 43.5 -57.1 -44.8 -81.2 60.7 5.5 1071 172 C V H > S+ 0 0 0 -3,-0.4 4,-1.0 2,-0.2 3,-0.2 0.964 116.8 46.7 -66.4 -52.3 -80.7 63.7 3.2 1072 173 C V H >X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 3,-1.0 0.944 113.9 45.7 -54.4 -55.2 -78.4 65.5 5.7 1073 174 C Q H 3< S+ 0 0 21 -4,-3.0 6,-0.2 1,-0.3 -1,-0.2 0.744 103.7 63.3 -68.0 -23.1 -76.2 62.5 6.5 1074 175 C M H 3< S+ 0 0 3 -4,-1.2 7,-2.1 -5,-0.3 8,-0.3 0.846 117.1 30.6 -66.6 -30.8 -75.7 61.6 2.9 1075 176 C I H << S+ 0 0 10 -4,-1.0 2,-0.3 -3,-1.0 7,-0.3 0.751 134.4 23.3 -98.2 -30.2 -74.0 64.9 2.4 1076 177 C S S < S+ 0 0 28 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.2 -0.786 85.3 94.8-148.4 98.5 -72.4 65.4 5.8 1077 178 C S S > S- 0 0 10 -2,-0.3 3,-0.5 -3,-0.2 6,-0.1 -0.800 86.1 -72.4-154.0-163.0 -71.6 62.6 8.3 1078 179 C Q T 3 S+ 0 0 17 206,-0.4 207,-0.1 1,-0.3 205,-0.1 0.564 131.9 24.8 -79.8 -6.7 -68.7 60.4 9.3 1079 180 C I T 3 S+ 0 0 10 -6,-0.2 -1,-0.3 4,-0.0 2,-0.2 -0.443 90.4 148.1-153.4 65.2 -69.0 58.4 6.0 1080 181 C D <> - 0 0 4 -3,-0.5 4,-2.2 -5,-0.1 5,-0.2 -0.553 64.1 -97.0-105.5 169.2 -70.7 60.7 3.5 1081 182 C A H > S+ 0 0 0 -7,-2.1 4,-1.8 1,-0.2 5,-0.1 0.770 121.3 58.1 -54.2 -26.8 -70.4 61.1 -0.3 1082 183 C D H > S+ 0 0 32 -8,-0.3 4,-2.4 -7,-0.3 -1,-0.2 0.963 108.2 39.2 -71.4 -58.0 -68.0 63.9 0.3 1083 184 C R H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 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4,-2.5 8,-0.3 3,-0.7 -0.345 57.9-115.9 -76.4 159.4 -24.1 47.2 -23.5 1441 87 D V H 3> S+ 0 0 63 8,-2.0 4,-2.4 1,-0.2 9,-0.1 0.848 115.0 68.8 -59.4 -36.1 -21.1 47.9 -25.8 1442 88 D E H 34 S+ 0 0 175 7,-0.3 -1,-0.2 1,-0.2 8,-0.1 0.880 114.3 25.5 -44.8 -45.3 -19.2 45.5 -23.5 1443 89 D R H <4 S+ 0 0 113 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.819 139.0 23.1 -93.0 -34.3 -21.3 42.7 -24.9 1444 90 D L H >< S- 0 0 52 -4,-2.5 3,-1.2 1,-0.3 2,-0.3 0.504 82.8-159.7-117.7 -10.9 -22.4 43.9 -28.4 1445 91 D G G >< S+ 0 0 33 -4,-2.4 3,-1.9 -5,-0.4 -1,-0.3 -0.479 74.4 12.3 69.1-124.2 -19.8 46.5 -29.4 1446 92 D E G 3 S+ 0 0 148 -2,-0.3 -1,-0.2 1,-0.3 122,-0.1 0.713 133.2 49.2 -62.5 -28.3 -20.9 48.9 -32.1 1447 93 D N G < S+ 0 0 58 -3,-1.2 -1,-0.3 121,-0.1 -2,-0.2 0.430 100.9 89.5 -91.1 -1.6 -24.6 47.8 -31.8 1448 94 D G S < S- 0 0 3 -3,-1.9 2,-0.4 -7,-0.1 -8,-0.3 -0.279 81.6 -96.7 -93.1 177.6 -24.6 48.2 -28.1 1449 95 D W B -h 1440 0S 0 -10,-3.0 -8,-2.0 -14,-0.3 2,-0.7 -0.790 22.7-146.2 -99.6 134.0 -25.3 51.0 -25.6 1450 96 D N > - 0 0 52 -2,-0.4 3,-2.3 -10,-0.2 4,-0.1 -0.891 3.9-157.9-103.0 108.9 -22.6 53.2 -24.1 1451 97 D D G > S+ 0 0 51 -2,-0.7 3,-1.3 1,-0.3 4,-0.4 0.566 84.7 79.9 -67.9 -10.7 -23.6 54.1 -20.6 1452 98 D D G 3 S+ 0 0 137 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.766 89.4 61.1 -56.9 -24.7 -21.3 57.2 -20.6 1453 99 D E G <> S+ 0 0 27 -3,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.525 78.6 92.0 -79.5 -10.6 -24.2 58.7 -22.6 1454 100 D R H <> S+ 0 0 50 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 0.931 82.0 49.4 -50.8 -58.7 -26.7 58.3 -19.7 1455 101 D L H > S+ 0 0 15 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.903 114.2 44.1 -55.9 -48.9 -26.3 61.7 -18.1 1456 102 D I H > S+ 0 0 8 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.895 114.3 51.1 -61.9 -40.0 -26.7 63.7 -21.3 1457 103 D T H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.915 111.2 47.6 -65.7 -43.1 -29.7 61.5 -22.3 1458 104 D L H X S+ 0 0 3 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.826 112.2 48.5 -66.6 -36.3 -31.4 62.0 -19.0 1459 105 D C H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.951 112.2 48.7 -68.6 -50.5 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-53.5-111.2-170.0 -45.5 78.2 -22.3 1470 116 D P T 3 S- 0 0 0 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.412 118.4 -7.5 -73.2 137.5 -49.1 78.4 -21.4 1471 117 D Y T 3> S- 0 0 23 -70,-0.2 4,-2.5 -2,-0.1 3,-0.3 0.905 81.7-169.5 45.2 60.5 -51.6 77.1 -24.1 1472 118 D S H <> S+ 0 0 5 -3,-0.7 4,-3.3 1,-0.2 5,-0.4 0.853 72.4 52.2 -51.3 -56.5 -48.8 76.6 -26.6 1473 119 D H H > S+ 0 0 84 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.898 118.1 37.8 -48.5 -51.7 -50.7 76.0 -29.8 1474 120 D T H > S+ 0 0 5 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.891 117.4 51.0 -66.5 -43.8 -52.9 79.1 -29.5 1475 121 D F H X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.914 111.5 46.4 -64.3 -46.4 -50.1 81.2 -28.0 1476 122 D E H X S+ 0 0 43 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.768 109.7 56.2 -69.2 -28.1 -47.6 80.4 -30.8 1477 123 D H H < S+ 0 0 134 -4,-1.2 -1,-0.2 -5,-0.4 -2,-0.2 0.893 119.3 30.2 -66.5 -40.8 -50.4 81.0 -33.4 1478 124 D I H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.880 131.8 31.1 -89.4 -42.0 -51.0 84.5 -32.1 1479 125 D F H < S- 0 0 16 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.383 97.4-127.4-103.9 3.1 -47.6 85.7 -30.8 1480 126 D D < + 0 0 147 -4,-0.8 2,-0.2 -5,-0.3 -4,-0.2 0.891 51.4 157.5 51.2 48.1 -45.5 83.7 -33.2 1481 127 D T - 0 0 9 -6,-0.2 2,-0.4 -9,-0.2 -1,-0.2 -0.586 33.5-147.2 -93.0 163.4 -43.4 82.0 -30.5 1482 128 D N > - 0 0 87 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.925 4.4-163.5-136.7 110.6 -41.4 78.8 -31.0 1483 129 D H H > S+ 0 0 55 -2,-0.4 4,-1.7 1,-0.2 -16,-0.2 0.717 88.6 56.3 -70.6 -23.9 -41.1 76.5 -27.9 1484 130 D E H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.897 109.6 44.8 -72.3 -42.2 -38.3 74.4 -29.4 1485 131 D A H > S+ 0 0 48 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.873 113.6 51.0 -67.3 -39.1 -36.0 77.5 -29.9 1486 132 D I H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.861 107.3 54.3 -64.1 -36.6 -37.0 78.7 -26.4 1487 133 D T H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.949 111.4 44.1 -57.2 -51.0 -36.0 75.3 -25.1 1488 134 D V H X S+ 0 0 34 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.897 112.6 53.1 -61.7 -43.1 -32.6 75.6 -26.7 1489 135 D Q H X S+ 0 0 82 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.835 108.3 50.1 -58.0 -36.5 -32.4 79.2 -25.5 1490 136 D I H < S+ 0 0 0 -4,-2.0 9,-0.6 1,-0.2 3,-0.4 0.910 113.8 45.0 -71.0 -40.7 -33.1 78.1 -21.9 1491 137 D I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.822 120.9 38.1 -69.2 -34.3 -30.4 75.4 -22.0 1492 138 D T H < S+ 0 0 35 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.342 92.5 96.7-105.9 2.7 -27.8 77.6 -23.6 1493 139 D S >< - 0 0 19 -4,-0.7 3,-2.2 -3,-0.4 6,-0.4 -0.879 64.1-144.0-107.4 121.3 -28.3 81.0 -21.9 1494 140 D P T 3 S+ 0 0 84 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.626 94.8 69.7 -54.5 -18.5 -26.2 82.1 -18.9 1495 141 D E T 3 S+ 0 0 107 4,-0.1 2,-0.2 5,-0.0 -5,-0.1 0.722 85.1 81.8 -73.8 -23.0 -29.2 83.8 -17.3 1496 142 D T S <> S- 0 0 1 -3,-2.2 4,-2.1 -6,-0.2 5,-0.1 -0.590 76.0-135.2 -88.6 147.7 -31.1 80.6 -16.5 1497 143 D E H > S+ 0 0 87 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 108.4 60.2 -61.1 -38.4 -30.6 78.3 -13.5 1498 144 D V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 105.5 46.3 -51.9 -54.9 -30.8 75.4 -16.0 1499 145 D Y H > S+ 0 0 44 -9,-0.6 4,-3.4 -6,-0.4 5,-0.2 0.926 110.3 52.8 -57.3 -49.3 -27.7 76.7 -17.9 1500 146 D Q H X S+ 0 0 88 -4,-2.1 4,-1.0 -7,-0.2 -1,-0.2 0.877 112.1 46.4 -49.5 -43.0 -25.8 77.3 -14.7 1501 147 D I H X S+ 0 0 10 -4,-2.2 4,-0.6 2,-0.2 3,-0.3 0.927 115.4 45.1 -67.9 -47.3 -26.4 73.6 -13.6 1502 148 D L H >X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-1.0 0.878 109.6 55.2 -63.3 -42.2 -25.5 72.3 -17.1 1503 149 D N H 3< S+ 0 0 55 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 98.8 63.2 -62.7 -26.5 -22.4 74.5 -17.3 1504 150 D R H 3< S+ 0 0 131 -4,-1.0 -145,-0.2 -3,-0.3 -1,-0.2 0.774 96.7 58.6 -68.4 -27.6 -21.2 73.0 -13.9 1505 151 D V H << S- 0 0 20 -3,-1.0 -145,-0.3 -4,-0.6 2,-0.3 0.930 131.7 -46.6 -66.6 -47.0 -21.0 69.6 -15.7 1506 152 D S >< - 0 0 44 -4,-1.0 3,-1.6 1,-0.1 -1,-0.3 -0.883 54.1 -98.6-179.4 158.7 -18.5 70.9 -18.2 1507 153 D A T 3 S+ 0 0 87 1,-0.3 4,-0.3 -2,-0.3 -1,-0.1 0.851 122.1 42.5 -54.9 -38.5 -18.1 74.0 -20.5 1508 154 D D T 3> S+ 0 0 77 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 0.372 91.5 90.8 -93.0 3.4 -19.5 72.2 -23.5 1509 155 D F H <> S+ 0 0 16 -3,-1.6 4,-2.7 2,-0.2 5,-0.2 0.898 78.6 54.3 -73.9 -44.0 -22.3 70.4 -21.8 1510 156 D P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.953 114.0 44.5 -53.5 -46.2 -25.1 73.0 -22.2 1511 157 D E H > S+ 0 0 121 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.876 110.7 54.0 -65.5 -38.5 -24.5 72.9 -26.0 1512 158 D K H X S+ 0 0 83 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.927 109.8 47.5 -59.2 -47.2 -24.2 69.1 -26.1 1513 159 D V H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.5 0.907 111.5 50.6 -60.9 -43.8 -27.7 68.8 -24.3 1514 160 D A H 3X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.904 105.4 57.9 -58.2 -39.0 -29.2 71.4 -26.8 1515 161 D S H 3<>S+ 0 0 25 -4,-2.3 5,-2.5 1,-0.2 6,-2.2 0.750 101.5 54.6 -68.7 -23.5 -27.7 69.3 -29.7 1516 162 D V H X<5S+ 0 0 0 -4,-1.1 3,-1.0 -3,-0.5 -1,-0.2 0.930 110.5 46.6 -68.0 -46.5 -29.6 66.2 -28.5 1517 163 D I H 3<5S+ 0 0 13 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.890 113.4 47.4 -62.5 -44.3 -32.9 68.2 -28.7 1518 164 D T T 3<5S- 0 0 44 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.447 114.3-121.7 -76.4 0.2 -32.0 69.7 -32.1 1519 165 D K T < 5S+ 0 0 107 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.733 83.4 114.5 65.8 25.0 -31.1 66.1 -33.2 1520 166 D Q < + 0 0 152 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.577 34.8 118.9 -98.8 -11.5 -27.6 67.1 -34.1 1521 167 D Y S S- 0 0 33 -6,-2.2 6,-0.2 1,-0.2 5,-0.0 -0.317 71.1-128.1 -54.8 132.8 -25.9 65.0 -31.4 1522 168 D P S S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 0.432 87.0 85.1 -72.5 3.2 -23.7 62.5 -33.2 1523 169 D N > - 0 0 25 1,-0.1 4,-2.1 -70,-0.0 3,-0.5 -0.912 59.1-165.8-106.7 113.0 -25.1 59.5 -31.4 1524 170 D P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 48,-0.2 0.757 87.1 60.2 -69.9 -26.8 -28.3 58.1 -33.0 1525 171 D Q H > S+ 0 0 9 46,-0.2 4,-1.0 2,-0.2 5,-0.1 0.867 110.3 42.2 -63.2 -39.6 -29.3 56.0 -30.0 1526 172 D V H > S+ 0 0 0 -3,-0.5 4,-1.5 2,-0.2 3,-0.3 0.937 114.4 49.9 -73.5 -49.6 -29.4 59.1 -27.8 1527 173 D V H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.897 114.5 44.7 -54.9 -44.5 -31.2 61.3 -30.4 1528 174 D Q H < 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