==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEASE 17-JAN-97 1EXN . COMPND 2 MOLECULE: 5'-EXONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T5; . AUTHOR T.A.CESKA,J.R.SAYERS,G.STIER,D.SUCK . 543 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 22 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 3 2 2 3 0 2 7 3 0 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 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 20 A R 0 0 143 0, 0.0 125,-1.8 0, 0.0 126,-0.2 0.000 360.0 360.0 360.0 135.3 18.7 20.5 -75.6 2 21 A N E -a 41 0A 23 38,-2.7 40,-3.0 37,-0.3 41,-1.6 -0.355 360.0-118.3-106.4-179.8 15.2 21.0 -74.3 3 22 A L E -ab 43 128A 1 124,-1.9 126,-3.6 38,-0.2 2,-0.5 -0.974 22.0-158.8-120.7 134.2 13.5 23.0 -71.6 4 23 A X E -ab 44 129A 0 39,-2.4 41,-3.1 -2,-0.4 2,-0.6 -0.982 3.9-167.8-118.2 125.2 11.7 21.2 -68.8 5 24 A I E -ab 45 130A 0 124,-2.8 126,-2.9 -2,-0.5 2,-0.4 -0.954 11.7-152.8-115.8 113.8 9.0 23.1 -66.8 6 25 A V E -ab 46 131A 0 39,-3.2 41,-2.2 -2,-0.6 2,-1.3 -0.726 14.6-144.7 -93.4 132.4 7.8 21.3 -63.6 7 26 A D E > -a 47 0A 7 124,-2.3 4,-2.7 -2,-0.4 5,-0.2 -0.794 27.4-173.7 -89.9 86.1 4.5 21.8 -62.1 8 27 A G H > S+ 0 0 0 39,-2.9 4,-2.5 -2,-1.3 40,-0.2 0.909 74.4 45.6 -54.2 -54.3 5.8 21.5 -58.5 9 28 A T H > S+ 0 0 14 38,-0.5 4,-2.5 2,-0.2 5,-0.2 0.921 113.7 52.5 -58.6 -42.9 2.6 21.5 -56.4 10 29 A N H > S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.978 109.6 46.7 -57.3 -55.2 1.1 19.1 -58.8 11 30 A L H X S+ 0 0 3 -4,-2.7 4,-2.1 120,-0.3 3,-0.3 0.863 109.1 58.4 -55.6 -36.8 4.0 16.6 -58.6 12 31 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.4 0.966 104.6 47.4 -55.8 -57.9 3.8 17.1 -54.8 13 32 A F H X S+ 0 0 66 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.719 106.8 59.4 -56.6 -26.3 0.1 15.9 -54.6 14 33 A R H X S+ 0 0 54 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.3 0.954 109.1 43.0 -67.3 -46.7 1.2 12.9 -56.8 15 34 A F H X S+ 0 0 35 -4,-2.1 4,-2.3 -3,-0.4 -2,-0.2 0.918 114.9 50.0 -62.7 -42.2 3.7 12.0 -54.1 16 35 A K H < S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.902 109.1 52.9 -62.4 -38.3 1.0 12.7 -51.5 17 36 A H H < S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 108.5 49.3 -65.2 -35.4 -1.4 10.5 -53.5 18 37 A N H < S- 0 0 106 -4,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.892 137.3 -8.5 -71.2 -41.3 1.2 7.6 -53.5 19 38 A N < - 0 0 79 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.855 53.3-164.8-160.8 120.5 1.6 7.9 -49.7 20 39 A S S S+ 0 0 32 -2,-0.3 65,-0.2 -3,-0.2 -4,-0.1 0.277 89.4 51.4 -91.5 14.7 0.3 10.6 -47.4 21 40 A K S S+ 0 0 123 -5,-0.1 -1,-0.2 63,-0.1 -5,-0.1 0.669 88.6 88.7-117.9 -28.2 2.6 9.7 -44.5 22 41 A K S S- 0 0 115 -7,-0.1 -3,-0.1 -6,-0.1 2,-0.1 -0.545 76.9-119.1 -88.5 134.0 6.1 9.6 -46.1 23 42 A P - 0 0 77 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.472 32.3-177.4 -58.7 136.4 8.5 12.5 -46.4 24 43 A F > + 0 0 9 64,-0.1 4,-2.8 -2,-0.1 5,-0.2 0.463 44.1 110.5-123.7 4.2 9.0 12.9 -50.2 25 44 A A H > S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.736 81.1 45.4 -51.9 -36.0 11.6 15.7 -50.6 26 45 A S H > S+ 0 0 85 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.974 116.4 40.8 -74.0 -58.2 14.5 13.5 -51.9 27 46 A S H > S+ 0 0 40 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.880 109.7 63.2 -56.8 -40.3 12.7 11.3 -54.4 28 47 A Y H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.963 111.7 35.4 -48.2 -57.7 10.8 14.4 -55.5 29 48 A V H X S+ 0 0 6 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.896 117.1 51.6 -67.2 -42.5 14.0 16.1 -56.6 30 49 A S H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.879 107.1 55.7 -63.4 -35.6 15.7 12.9 -57.9 31 50 A T H X S+ 0 0 33 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.901 107.8 48.5 -59.6 -44.3 12.5 12.2 -59.9 32 51 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.816 112.7 49.2 -68.1 -30.2 13.0 15.6 -61.6 33 52 A Q H X S+ 0 0 80 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.880 109.7 48.2 -75.9 -41.9 16.7 14.8 -62.2 34 53 A S H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 3,-0.2 0.929 115.0 48.8 -63.4 -41.3 16.0 11.4 -63.8 35 54 A L H X S+ 0 0 14 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.846 104.7 56.8 -65.6 -41.2 13.4 13.2 -65.9 36 55 A A H <>S+ 0 0 13 -4,-1.6 5,-2.7 2,-0.2 -1,-0.2 0.829 108.9 48.2 -59.7 -35.3 15.8 16.0 -66.9 37 56 A K H ><5S+ 0 0 171 -4,-1.6 3,-2.5 -3,-0.2 -2,-0.2 0.984 109.4 54.0 -64.7 -60.1 18.2 13.3 -68.3 38 57 A S H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.742 114.6 37.8 -42.4 -41.3 15.3 11.7 -70.1 39 58 A Y T 3<5S- 0 0 25 -4,-1.8 -37,-0.3 -5,-0.1 -1,-0.3 0.114 107.9-117.7-105.3 21.3 14.2 14.8 -71.9 40 59 A S T < 5 - 0 0 51 -3,-2.5 -38,-2.7 1,-0.2 2,-0.2 0.859 43.3-169.7 44.2 43.1 17.7 16.2 -72.5 41 60 A A E < +a 2 0A 9 -5,-2.7 -38,-0.2 -40,-0.2 -1,-0.2 -0.492 22.1 176.6 -65.3 122.0 16.7 19.1 -70.5 42 61 A R E S+ 0 0 110 -40,-3.0 2,-0.4 1,-0.4 -1,-0.2 0.793 81.3 28.7 -88.7 -45.6 19.4 21.8 -70.8 43 62 A T E S-a 3 0A 11 -41,-1.6 -39,-2.4 -3,-0.1 2,-0.4 -0.948 73.0-172.5-116.5 132.2 17.3 24.1 -68.6 44 63 A T E -a 4 0A 12 -2,-0.4 2,-0.4 -41,-0.2 -39,-0.2 -1.000 3.2-171.6-126.8 130.0 14.9 22.8 -66.0 45 64 A I E -a 5 0A 1 -41,-3.1 -39,-3.2 -2,-0.4 2,-0.4 -0.987 7.1-157.9-126.4 126.1 12.6 25.1 -64.1 46 65 A V E -ac 6 102A 0 55,-2.5 57,-1.2 -2,-0.4 2,-0.4 -0.916 12.2-172.3-106.7 136.1 10.4 24.1 -61.1 47 66 A L E -ac 7 103A 0 -41,-2.2 -39,-2.9 -2,-0.4 -38,-0.5 -0.963 3.4-168.9-127.3 143.5 7.3 26.1 -60.2 48 67 A G - 0 0 0 55,-2.2 2,-0.5 -2,-0.4 57,-0.4 -0.868 25.2-115.1-129.8 160.2 5.0 26.0 -57.2 49 68 A D - 0 0 56 -2,-0.3 2,-0.4 55,-0.1 60,-0.1 -0.831 29.6-178.6 -97.5 124.7 1.7 27.5 -56.4 50 69 A K B -F 108 0B 83 58,-0.8 57,-2.2 -2,-0.5 58,-0.5 -0.867 54.5 -25.8-127.5 100.9 1.7 30.0 -53.5 51 70 A G S S- 0 0 38 -2,-0.4 -1,-0.2 55,-0.2 2,-0.1 -0.168 92.9 -48.4 89.6 173.3 -1.7 31.4 -52.6 52 71 A K - 0 0 67 1,-0.1 2,-0.5 -3,-0.1 -2,-0.1 -0.392 68.6 -92.3 -77.3 161.4 -4.9 31.9 -54.6 53 72 A S > - 0 0 2 1,-0.2 4,-1.2 -2,-0.1 55,-0.2 -0.678 28.6-160.1 -78.0 123.3 -4.6 33.6 -58.1 54 73 A V H > S+ 0 0 48 53,-2.9 4,-2.0 -2,-0.5 5,-0.2 0.950 88.6 54.3 -67.9 -48.4 -5.1 37.4 -57.8 55 74 A F H > S+ 0 0 13 52,-0.6 4,-1.5 195,-0.4 3,-0.4 0.928 114.5 37.6 -49.4 -60.5 -6.0 37.7 -61.6 56 75 A R H > S+ 0 0 7 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.732 112.2 59.0 -67.1 -27.5 -8.8 35.2 -61.6 57 76 A L H < S+ 0 0 55 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 104.7 51.8 -70.9 -31.0 -10.1 36.2 -58.1 58 77 A E H < S+ 0 0 125 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.904 115.3 39.9 -68.2 -43.9 -10.6 39.7 -59.5 59 78 A H H < S+ 0 0 79 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.551 135.7 18.9 -83.2 -9.3 -12.6 38.4 -62.4 60 79 A L >< - 0 0 4 -4,-0.9 3,-2.0 -5,-0.2 -1,-0.3 -0.582 62.7-167.6-162.9 94.4 -14.4 35.8 -60.2 61 80 A P T 3 S+ 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.814 91.0 57.3 -53.6 -33.9 -14.4 36.2 -56.4 62 81 A E T > S+ 0 0 109 2,-0.1 3,-2.1 124,-0.0 4,-0.3 0.254 75.1 144.4 -86.7 16.9 -15.7 32.7 -55.9 63 82 A Y T < S- 0 0 5 -3,-2.0 123,-0.2 1,-0.3 124,-0.1 -0.362 81.7 -9.4 -59.5 122.7 -12.7 31.3 -57.8 64 83 A K T >> S+ 0 0 27 121,-2.5 3,-1.0 -2,-0.1 4,-0.5 0.574 91.0 141.8 60.2 17.2 -11.8 27.9 -56.2 65 84 A G H X> + 0 0 14 -3,-2.1 4,-1.7 1,-0.3 3,-1.0 0.783 63.2 62.0 -55.4 -35.3 -14.2 28.7 -53.3 66 85 A N H 3> S+ 0 0 54 -4,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.913 93.9 63.7 -58.7 -40.5 -15.2 25.0 -53.1 67 86 A R H <> S+ 0 0 120 -3,-1.0 4,-0.7 1,-0.3 -1,-0.2 0.741 103.3 48.2 -58.9 -21.6 -11.6 24.1 -52.3 68 87 A D H < S+ 0 0 79 -4,-0.7 3,-1.6 -3,-0.4 -2,-0.2 0.958 107.8 54.9 -76.0 -46.4 -11.0 22.2 -46.0 72 91 A A H 3< S+ 0 0 72 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.833 110.9 47.5 -54.4 -35.2 -13.6 23.6 -43.6 73 92 A Q T 3< S+ 0 0 160 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.533 85.9 108.2 -84.7 -11.8 -15.3 20.2 -43.6 74 93 A R S < S- 0 0 64 -3,-1.6 -3,-0.0 -4,-0.5 -4,-0.0 -0.399 74.6-108.3 -70.0 146.2 -12.3 18.0 -43.1 75 94 A T > - 0 0 78 1,-0.1 4,-3.1 -2,-0.1 3,-0.3 -0.268 33.7-100.8 -65.0 163.9 -11.9 16.3 -39.7 76 95 A E H > S+ 0 0 178 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.872 126.1 50.4 -51.8 -39.8 -9.3 17.4 -37.2 77 96 A E H > S+ 0 0 165 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.860 111.3 45.7 -71.7 -37.4 -7.2 14.4 -38.4 78 97 A E H > S+ 0 0 76 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.868 109.4 54.0 -74.1 -41.6 -7.6 15.1 -42.1 79 98 A K H X S+ 0 0 57 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.891 110.1 49.7 -57.5 -36.9 -6.8 18.8 -41.7 80 99 A A H X S+ 0 0 59 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.835 108.5 50.5 -68.6 -39.4 -3.6 17.6 -39.9 81 100 A L H X S+ 0 0 49 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.900 109.7 53.5 -64.6 -39.9 -2.7 15.2 -42.8 82 101 A D H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.895 109.6 46.4 -58.2 -49.5 -3.2 18.2 -45.1 83 102 A E H X S+ 0 0 99 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.863 108.1 57.2 -64.5 -35.7 -0.8 20.3 -43.1 84 103 A Q H >X S+ 0 0 66 -4,-2.0 4,-2.1 1,-0.2 3,-1.4 0.985 108.9 45.8 -55.2 -67.3 1.7 17.4 -43.1 85 104 A F H 3X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.765 111.2 53.1 -41.8 -44.9 1.7 17.3 -46.9 86 105 A F H 3X S+ 0 0 80 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.896 109.9 46.0 -66.1 -34.5 2.0 21.1 -47.1 87 106 A E H < S+ 0 0 64 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.852 107.0 60.2 -58.2 -39.9 15.6 20.9 -51.4 96 115 A C H >X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.3 3,-2.9 0.892 94.1 65.4 -52.5 -45.1 14.8 21.7 -55.1 97 116 A K T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.576 93.4 60.6 -52.4 -22.4 16.4 25.1 -54.7 98 117 A T T <4 S+ 0 0 99 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.476 123.5 17.5 -85.3 -6.8 19.8 23.4 -54.2 99 118 A T T <4 S+ 0 0 62 -3,-2.9 -2,-0.2 1,-0.4 -3,-0.1 0.655 123.7 33.7-130.9 -46.4 19.5 21.8 -57.6 100 119 A F S < S- 0 0 24 -4,-3.3 -1,-0.4 -57,-0.0 -55,-0.1 -0.955 84.0-100.7-124.3 143.5 17.0 23.6 -59.9 101 120 A P - 0 0 53 0, 0.0 -55,-2.5 0, 0.0 2,-0.3 -0.390 50.3-168.3 -59.7 125.9 15.9 27.2 -60.3 102 121 A T E -c 46 0A 27 -57,-0.2 2,-0.3 -5,-0.1 -55,-0.2 -0.835 7.9-163.3-120.4 153.1 12.6 27.3 -58.4 103 122 A F E +c 47 0A 33 -57,-1.2 -55,-2.2 -2,-0.3 2,-0.3 -0.989 17.5 170.6-148.1 139.6 9.9 30.0 -58.2 104 123 A T - 0 0 64 -2,-0.3 2,-0.5 -57,-0.2 -55,-0.1 -0.959 5.2-180.0-143.7 121.3 6.8 31.0 -56.1 105 124 A I > - 0 0 20 3,-0.4 3,-1.8 -57,-0.4 -55,-0.5 -0.994 33.8-123.8-124.4 110.8 5.1 34.3 -56.6 106 125 A R T 3 S+ 0 0 170 -2,-0.5 -55,-0.2 1,-0.3 3,-0.1 -0.444 96.3 21.8 -61.0 124.2 2.2 34.6 -54.2 107 126 A G T 3 S+ 0 0 5 -57,-2.2 -53,-2.9 1,-0.3 -52,-0.6 0.441 104.7 102.9 98.0 -0.3 -1.1 35.2 -56.0 108 127 A V B < -F 50 0B 2 -3,-1.8 -58,-0.8 -58,-0.5 -3,-0.4 -0.975 66.6-135.5-120.8 125.2 0.3 33.8 -59.2 109 128 A E >> - 0 0 9 -2,-0.4 4,-1.6 -60,-0.1 3,-0.5 -0.522 19.6-121.6 -77.3 148.8 -0.6 30.3 -60.4 110 129 A A H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.778 112.3 57.7 -56.0 -37.0 2.1 27.9 -61.8 111 130 A D H 3> S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 104.0 50.1 -66.6 -37.0 0.3 27.7 -65.1 112 131 A D H <> S+ 0 0 0 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.860 115.4 45.2 -68.7 -34.4 0.4 31.5 -65.6 113 132 A X H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.876 110.4 52.6 -76.0 -38.7 4.1 31.3 -64.9 114 133 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.916 109.0 50.8 -62.4 -40.6 4.7 28.2 -67.1 115 134 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.840 109.1 51.6 -66.9 -32.5 3.0 30.0 -70.0 116 135 A Y H X S+ 0 0 24 -4,-1.0 4,-3.3 2,-0.2 -2,-0.2 0.925 109.8 47.7 -71.7 -45.4 5.2 33.1 -69.4 117 136 A I H X>S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.7 0.947 112.6 48.8 -59.1 -51.5 8.4 31.0 -69.5 118 137 A V H X5S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.937 116.2 44.5 -52.8 -50.5 7.4 29.2 -72.7 119 138 A K H <5S+ 0 0 125 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.937 117.9 45.1 -57.0 -50.0 6.4 32.5 -74.3 120 139 A L H <5S- 0 0 40 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 139.2 -2.5 -63.7 -46.1 9.6 34.1 -73.0 121 140 A I H ><5S+ 0 0 1 -4,-3.6 3,-2.8 -5,-0.2 -3,-0.2 0.382 90.5 111.6-133.0 -0.1 12.2 31.5 -73.9 122 141 A G G >< - 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E 0 154A 3 5,-2.1 4,-1.9 -2,-0.4 5,-1.3 -0.829 12.0-167.0-102.3 131.6 2.0 12.9 -66.8 150 169 A F T 45S+ 0 0 48 -2,-0.5 -1,-0.1 2,-0.2 -17,-0.0 0.871 88.0 64.7 -75.9 -40.6 3.2 10.5 -64.0 151 170 A T T 45S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.1 -18,-0.0 0.705 124.3 19.1 -58.0 -21.2 -0.3 9.4 -63.0 152 171 A T T 45S- 0 0 53 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.576 95.2-132.8-120.1 -20.9 -0.5 7.9 -66.5 153 172 A R T <5 + 0 0 209 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.824 66.0 130.7 66.3 33.8 3.2 7.7 -67.5 154 173 A R E < -E 149 0A 114 -5,-1.3 -5,-2.1 2,-0.0 2,-0.4 -0.717 54.1-134.1-115.4 168.7 2.1 9.2 -70.8 155 174 A E E -E 148 0A 79 -2,-0.2 2,-0.5 -7,-0.2 -7,-0.2 -0.929 15.0-149.0-125.9 143.6 3.1 12.1 -73.1 156 175 A Y E +E 147 0A 5 -9,-3.1 -9,-2.5 -2,-0.4 2,-0.2 -0.941 18.1 171.9-125.1 122.7 0.8 14.6 -74.6 157 176 A H > - 0 0 30 -2,-0.5 3,-0.7 -11,-0.2 -14,-0.1 -0.660 48.3 -99.9-118.4 170.1 1.3 16.3 -77.9 158 177 A L G > S+ 0 0 59 -16,-0.7 3,-2.2 -2,-0.2 4,-0.2 0.797 118.5 64.9 -61.7 -33.3 -1.0 18.5 -79.9 159 178 A R G > S+ 0 0 196 1,-0.3 3,-0.6 -17,-0.1 -1,-0.2 0.872 98.1 58.8 -60.2 -32.5 -1.9 15.7 -82.3 160 179 A D G <> S+ 0 0 39 -3,-0.7 4,-1.7 1,-0.2 5,-0.3 0.266 70.8 110.4 -79.3 8.5 -3.5 14.1 -79.2 161 180 A X H <> S+ 0 0 2 -3,-2.2 4,-1.7 7,-0.3 6,-0.6 0.912 78.5 46.6 -53.4 -47.4 -5.9 17.1 -78.5 162 181 A Y H <> S+ 0 0 117 -3,-0.6 4,-2.9 4,-0.2 -1,-0.2 0.948 111.6 43.9 -61.3 -59.0 -9.0 15.1 -79.5 163 182 A E H 4 S+ 0 0 152 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.904 124.7 36.2 -55.8 -41.6 -8.6 11.8 -77.7 164 183 A H H < S+ 0 0 42 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.660 136.1 16.4 -86.9 -21.9 -7.5 13.5 -74.4 165 184 A H H < S- 0 0 37 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.502 91.1-118.2-134.3 -2.9 -9.6 16.6 -74.5 166 185 A N S < S+ 0 0 35 -4,-2.9 2,-0.3 -5,-0.3 -4,-0.2 0.750 83.9 84.5 70.2 28.6 -12.5 16.2 -77.0 167 186 A V S S- 0 0 0 -6,-0.6 -2,-0.3 1,-0.1 -1,-0.2 -0.932 75.9-123.8-151.2 168.4 -11.4 19.1 -79.2 168 187 A D S S+ 0 0 60 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.3 0.775 81.1 4.6 -92.9 -25.9 -9.0 19.7 -82.1 169 188 A D S > S- 0 0 63 -8,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.921 79.5 -88.5-152.2 173.5 -6.7 22.5 -80.9 170 189 A V H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.858 121.1 51.9 -53.7 -42.5 -5.7 24.7 -78.0 171 190 A E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 110.5 47.1 -65.9 -38.5 -8.2 27.5 -79.0 172 191 A Q H > S+ 0 0 23 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.868 109.8 55.1 -69.9 -38.6 -11.1 25.0 -79.1 173 192 A F H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.927 109.4 46.2 -59.5 -44.8 -9.9 23.6 -75.8 174 193 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.912 112.8 51.2 -63.4 -43.5 -10.1 27.1 -74.2 175 194 A S H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.928 110.6 47.5 -59.0 -46.2 -13.5 27.6 -75.9 176 195 A L H X>S+ 0 0 2 -4,-3.1 4,-3.9 1,-0.2 5,-0.6 0.950 110.9 51.7 -61.1 -49.8 -14.8 24.3 -74.4 177 196 A K H X5S+ 0 0 26 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.816 112.9 46.4 -52.7 -38.4 -13.4 25.2 -71.0 178 197 A A H <5S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.836 121.1 35.7 -76.3 -33.9 -15.3 28.6 -71.2 179 198 A I H <5S+ 0 0 0 -4,-2.1 11,-2.6 -3,-0.3 -2,-0.2 0.889 125.2 39.9 -82.8 -48.0 -18.6 27.1 -72.4 180 199 A X H <5S- 0 0 55 -4,-3.9 9,-0.3 -5,-0.2 -3,-0.2 0.864 99.4-145.2 -73.0 -42.3 -18.4 23.9 -70.3 181 200 A G << - 0 0 5 -4,-1.3 2,-0.3 -5,-0.6 7,-0.2 -0.397 14.1 -94.2 99.3-178.8 -17.0 25.3 -67.2 182 201 A D B > > -G 187 0C 21 5,-2.1 5,-3.0 1,-0.1 3,-0.7 -0.811 24.8-170.2-147.2 98.8 -14.6 23.8 -64.7 183 202 A L G > 5S+ 0 0 157 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.908 87.1 54.1 -54.3 -51.5 -16.0 22.0 -61.6 184 203 A G G 3 5S+ 0 0 36 1,-0.3 -1,-0.2 2,-0.1 -117,-0.2 0.807 114.6 40.7 -56.6 -32.3 -12.7 21.6 -59.8 185 204 A D G < 5S- 0 0 18 -3,-0.7 -121,-2.5 2,-0.1 -1,-0.3 0.387 115.4-116.2 -96.7 1.6 -12.0 25.3 -60.0 186 205 A N T < 5 + 0 0 62 -3,-1.7 2,-0.6 -4,-0.5 -3,-0.2 0.838 61.0 153.5 67.4 36.7 -15.6 26.1 -59.2 187 206 A I B < -G 182 0C 8 -5,-3.0 -5,-2.1 -124,-0.1 -1,-0.2 -0.885 38.3-137.2-102.3 122.1 -16.2 27.8 -62.6 188 207 A R - 0 0 180 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.513 23.9-175.3 -75.9 139.3 -19.8 27.7 -63.7 189 208 A G - 0 0 15 -9,-0.3 -9,-0.2 -2,-0.2 2,-0.2 -0.720 43.7 -54.8-125.2-179.1 -20.5 26.9 -67.3 190 209 A V > - 0 0 6 -11,-2.6 3,-1.6 -2,-0.2 2,-0.2 -0.386 63.9-110.5 -62.3 126.3 -23.7 26.8 -69.5 191 210 A E T 3 S+ 0 0 134 1,-0.2 35,-0.2 -2,-0.2 -1,-0.1 -0.379 99.9 17.7 -62.1 122.1 -26.3 24.5 -67.9 192 211 A G T 3 S+ 0 0 41 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.477 98.6 108.0 97.2 5.8 -26.7 21.3 -69.9 193 212 A I < + 0 0 10 -3,-1.6 -1,-0.2 -14,-0.2 2,-0.1 -0.957 36.9 160.2-124.0 117.9 -23.5 21.5 -72.0 194 213 A G > - 0 0 32 -2,-0.5 4,-3.1 -3,-0.1 5,-0.4 -0.325 56.4 -60.8-114.4-161.9 -20.6 19.2 -71.5 195 214 A A H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 130.6 36.5 -49.7 -61.1 -17.5 18.0 -73.5 196 215 A K H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 121.9 44.0 -62.1 -48.4 -19.3 16.3 -76.4 197 216 A R H > S+ 0 0 115 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.879 116.5 47.4 -65.0 -41.8 -22.2 18.9 -76.7 198 217 A G H >X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 3,-0.6 0.941 110.6 51.6 -66.3 -45.7 -19.9 21.8 -76.3 199 218 A Y H 3X S+ 0 0 12 -4,-2.6 4,-3.1 -5,-0.4 5,-0.2 0.890 107.1 52.9 -57.2 -45.1 -17.5 20.4 -78.9 200 219 A N H 3X S+ 0 0 105 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.761 110.1 49.2 -62.6 -27.9 -20.3 19.9 -81.4 201 220 A I H S- 0 0 45 -2,-0.2 4,-2.7 -4,-0.1 3,-0.3 -0.192 76.1 -98.3 -67.8 157.2 -14.7 29.7 -80.9 208 227 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 123.5 50.1 -42.6 -53.6 -16.5 31.3 -78.0 209 228 A L H > S+ 0 0 90 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 110.8 48.8 -55.6 -44.5 -16.0 34.8 -79.4 210 229 A D H > S+ 0 0 72 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.928 111.5 51.4 -60.1 -43.0 -17.3 33.8 -82.8 211 230 A I H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.834 103.6 57.4 -64.4 -32.1 -20.2 32.2 -81.0 212 231 A I H >< S+ 0 0 18 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.946 105.1 51.3 -63.4 -44.7 -20.9 35.4 -79.1 213 232 A D H 3< S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.1 48.2 -59.4 -36.0 -21.3 37.3 -82.4 214 233 A Q H 3< S+ 0 0 82 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.469 83.2 150.9 -85.2 -12.2 -23.8 34.6 -83.5 215 234 A L << + 0 0 24 -3,-1.0 2,-0.1 -4,-0.9 13,-0.0 -0.470 50.0 63.9 -59.9 140.9 -26.1 34.3 -80.5 216 235 A P S S- 0 0 108 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.330 81.2-160.6 -75.1 131.6 -29.1 33.5 -80.7 217 236 A L - 0 0 6 7,-0.2 2,-0.1 1,-0.1 11,-0.1 -0.530 23.4-110.9 -80.9 141.2 -28.0 30.1 -82.0 218 237 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.509 72.5 99.2 -71.7 144.9 -30.7 28.2 -83.9 219 238 A G - 0 0 49 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.299 60.7-139.0 144.6 133.4 -31.9 25.2 -81.9 220 239 A K + 0 0 212 -2,-0.1 2,-0.1 4,-0.1 -1,-0.1 0.393 65.1 121.4 -96.2 5.2 -34.9 24.6 -79.7 221 240 A Q >> - 0 0 105 1,-0.1 4,-2.7 -3,-0.1 3,-1.3 -0.413 68.7-130.2 -69.5 138.7 -32.9 22.7 -77.2 222 241 A K H 3> S+ 0 0 159 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.835 110.1 56.0 -58.4 -33.3 -32.9 24.0 -73.6 223 242 A Y H 3> S+ 0 0 46 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.743 110.4 46.4 -71.1 -22.4 -29.1 23.8 -73.5 224 243 A I H <> S+ 0 0 11 -3,-1.3 4,-3.0 2,-0.2 -7,-0.2 0.890 110.9 50.4 -79.9 -49.7 -29.1 26.0 -76.6 225 244 A Q H X S+ 0 0 120 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.928 113.8 47.4 -51.8 -45.8 -31.7 28.4 -75.0 226 245 A N H >< S+ 0 0 33 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.880 109.6 53.1 -60.4 -46.4 -29.4 28.4 -72.0 227 246 A L H >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.915 102.8 57.2 -58.0 -45.0 -26.4 29.0 -74.3 228 247 A N H 3< S+ 0 0 41 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.697 107.9 49.3 -62.2 -17.2 -28.0 32.0 -75.9 229 248 A A T << S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 -0.021 93.3 76.4-113.6 29.6 -28.4 33.6 -72.5 230 249 A S <> + 0 0 19 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 0.094 47.4 123.5-126.6 20.7 -24.8 33.2 -71.3 231 250 A E H > S+ 0 0 99 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.919 82.1 45.5 -44.5 -51.3 -23.0 35.9 -73.2 232 251 A E H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 110.3 53.0 -63.5 -40.2 -21.7 37.3 -69.9 233 252 A L H > S+ 0 0 18 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.928 108.2 51.2 -62.8 -47.0 -20.7 34.0 -68.5 234 253 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.915 108.4 50.3 -59.0 -45.9 -18.7 33.2 -71.6 235 254 A F H X S+ 0 0 87 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.911 114.2 47.1 -59.4 -39.4 -16.8 36.5 -71.4 236 255 A R H >X S+ 0 0 69 -4,-2.0 4,-1.3 1,-0.2 3,-0.6 0.971 113.6 44.1 -65.8 -58.2 -16.0 35.8 -67.8 237 256 A N H 3X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.847 105.9 63.8 -55.6 -42.7 -14.8 32.2 -68.1 238 257 A L H 3X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.866 103.0 46.2 -54.4 -42.3 -12.7 33.0 -71.2 239 258 A I H << S+ 0 0 39 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.854 114.0 51.6 -73.0 -26.8 -10.4 35.3 -69.3 240 259 A L H < S+ 0 0 7 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.778 120.6 30.2 -78.2 -31.6 -10.2 32.6 -66.5 241 260 A V H < S+ 0 0 19 -4,-2.1 2,-2.5 1,-0.1 -2,-0.2 0.622 91.3 96.7-104.1 -14.9 -9.3 29.7 -68.8 242 261 A D >X + 0 0 11 -4,-2.1 4,-2.1 -5,-0.3 3,-0.6 -0.421 48.3 169.0 -76.4 74.9 -7.4 31.5 -71.6 243 262 A L H 3> + 0 0 7 -2,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.933 68.6 48.5 -56.3 -54.7 -3.9 30.8 -70.1 244 263 A P H 34 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.753 115.7 44.7 -62.2 -22.0 -1.7 31.9 -73.0 245 264 A T H <4 S+ 0 0 81 -3,-0.6 4,-0.3 1,-0.1 -2,-0.2 0.836 122.5 33.5 -91.6 -27.1 -3.6 35.2 -73.5 246 265 A Y H X S+ 0 0 52 -4,-2.1 4,-2.8 -3,-0.2 -3,-0.1 0.366 85.4 100.7-111.7 6.9 -3.8 36.2 -69.9 247 266 A C H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 5,-0.2 0.923 86.6 45.4 -59.0 -47.1 -0.6 34.9 -68.4 248 267 A V H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.953 114.9 47.6 -62.8 -49.1 1.3 38.2 -68.5 249 268 A D H > S+ 0 0 91 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.910 110.3 55.9 -56.4 -39.3 -1.7 40.1 -67.0 250 269 A A H < S+ 0 0 1 -4,-2.8 -195,-0.4 1,-0.2 4,-0.3 0.822 109.8 42.5 -65.2 -34.8 -1.9 37.3 -64.5 251 270 A I H >< S+ 0 0 0 -4,-1.9 3,-0.9 -3,-0.4 -1,-0.2 0.821 112.4 54.4 -79.9 -33.2 1.7 37.8 -63.3 252 271 A A H >< S+ 0 0 23 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.607 87.8 78.6 -74.8 -14.9 1.4 41.6 -63.3 253 272 A A T 3< S+ 0 0 33 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.842 96.5 47.9 -63.0 -26.8 -1.7 41.4 -61.1 254 273 A V T < S- 0 0 34 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.277 136.0 -56.4 -94.6 11.1 0.8 40.9 -58.3 255 274 A G <> - 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0 0 0 -3,-0.2 4,-1.4 3,-0.1 55,-0.2 0.488 23.3-151.1 112.6 99.6 -8.4 45.1 46.1 326 73 B V H > S+ 0 0 43 53,-2.8 4,-2.3 2,-0.2 5,-0.3 0.946 87.5 55.3 -64.2 -48.2 -9.6 41.5 46.2 327 74 B F H > S+ 0 0 13 52,-0.5 4,-2.0 195,-0.4 3,-0.3 0.933 113.5 37.1 -51.6 -62.4 -10.7 41.4 49.8 328 75 B R H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 7,-0.3 0.787 114.6 56.5 -66.9 -26.8 -13.1 44.3 49.8 329 76 B L H < S+ 0 0 40 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.866 107.3 48.0 -74.1 -32.9 -14.4 43.5 46.3 330 77 B E H < S+ 0 0 139 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.911 121.3 37.6 -72.9 -36.1 -15.4 40.0 47.3 331 78 B H H < S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.749 133.0 25.6 -85.8 -20.3 -17.1 41.5 50.4 332 79 B L >< - 0 0 1 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.3 -0.795 62.0-172.9-145.7 95.5 -18.4 44.6 48.6 333 80 B P T 3 S+ 0 0 106 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.719 90.9 49.6 -59.9 -24.1 -18.9 44.4 44.8 334 81 B E T > S+ 0 0 82 124,-0.1 3,-3.1 2,-0.0 4,-0.3 0.373 77.6 143.8 -96.8 2.4 -19.6 48.1 44.5 335 82 B Y T < S- 0 0 11 -3,-1.6 123,-0.2 1,-0.3 122,-0.1 -0.232 84.2 -9.5 -46.3 116.1 -16.5 49.0 46.5 336 83 B K T >> S+ 0 0 60 121,-2.7 3,-0.9 1,-0.1 4,-0.9 0.707 88.2 142.6 61.5 23.9 -15.2 52.3 45.0 337 84 B G H <> + 0 0 25 -3,-3.1 4,-2.0 120,-0.3 -2,-0.1 0.665 67.0 64.8 -65.9 -14.8 -17.6 51.9 42.1 338 85 B N H 3> S+ 0 0 51 -4,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.843 96.7 53.8 -76.3 -32.2 -17.9 55.7 42.4 339 86 B R H <> S+ 0 0 128 -3,-0.9 4,-1.0 117,-0.2 -2,-0.2 0.760 109.5 50.3 -72.2 -24.3 -14.3 56.0 41.4 340 87 B D H X S+ 0 0 110 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.957 112.2 43.5 -78.9 -48.6 -15.1 53.9 38.3 341 88 B E H X S+ 0 0 101 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.836 109.3 57.0 -63.7 -38.0 -18.1 55.9 37.2 342 89 B K H < S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.945 112.0 43.3 -57.1 -45.7 -16.4 59.3 37.8 343 90 B Y H >< S+ 0 0 98 -4,-1.0 3,-1.6 1,-0.2 -2,-0.2 0.827 108.1 59.0 -68.8 -34.8 -13.7 58.1 35.4 344 91 B A H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.859 106.2 50.4 -62.8 -32.9 -16.3 56.7 33.0 345 92 B Q T 3< S+ 0 0 139 -4,-2.0 -1,-0.3 -3,-0.2 2,-0.3 0.335 86.6 112.2 -89.9 11.9 -17.6 60.2 32.9 346 93 B R S < S- 0 0 70 -3,-1.6 -3,-0.0 -5,-0.1 5,-0.0 -0.614 70.5-112.7 -85.6 146.7 -14.3 61.8 32.1 347 94 B T > - 0 0 75 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.215 33.9 -97.0 -72.2 164.6 -13.7 63.4 28.7 348 95 B E H > S+ 0 0 183 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.866 128.1 44.7 -46.6 -41.7 -11.3 62.0 26.1 349 96 B E H > S+ 0 0 164 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 111.8 51.6 -74.9 -39.4 -8.7 64.5 27.3 350 97 B E H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 107.1 51.3 -64.5 -48.5 -9.4 63.9 31.0 351 98 B K H X S+ 0 0 64 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.927 111.0 51.6 -53.4 -42.3 -9.0 60.1 30.8 352 99 B A H X S+ 0 0 54 -4,-1.4 4,-2.5 -5,-0.3 -1,-0.2 0.803 104.9 53.5 -63.4 -38.9 -5.6 60.8 29.0 353 100 B L H X S+ 0 0 47 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.899 111.5 48.2 -65.3 -36.4 -4.4 63.2 31.7 354 101 B D H X S+ 0 0 19 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.949 111.5 47.3 -67.8 -51.1 -5.2 60.3 34.2 355 102 B E H X S+ 0 0 92 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.924 111.9 52.4 -56.1 -42.8 -3.4 57.7 32.1 356 103 B Q H >X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 3,-0.7 0.947 109.4 49.3 -56.8 -53.7 -0.4 60.1 31.8 357 104 B F H 3X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.922 110.1 49.8 -50.0 -55.4 -0.3 60.6 35.5 358 105 B F H 3X S+ 0 0 76 -4,-2.6 4,-1.3 2,-0.2 -1,-0.3 0.706 108.1 53.6 -62.1 -21.7 -0.4 56.9 36.2 359 106 B E H < S+ 0 0 102 -4,-2.1 3,-0.6 2,-0.2 4,-0.4 0.956 109.8 48.5 -68.9 -45.9 10.4 52.5 39.4 367 114 B L H >< S+ 0 0 65 -4,-2.7 3,-1.8 1,-0.3 4,-0.4 0.883 104.9 60.9 -60.8 -40.4 12.9 55.1 40.3 368 115 B C H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 3,-2.2 0.858 92.1 68.0 -54.8 -36.9 12.1 54.6 44.0 369 116 B K T << S+ 0 0 114 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.731 89.8 62.3 -58.4 -22.6 13.3 51.0 43.7 370 117 B T T <4 S+ 0 0 97 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.730 121.4 21.1 -74.5 -20.9 16.8 52.3 43.2 371 118 B T T <4 S+ 0 0 58 -3,-2.2 -2,-0.2 -4,-0.4 -3,-0.1 0.811 122.9 24.4-114.9 -48.6 16.7 53.8 46.7 372 119 B F S < S- 0 0 28 -4,-2.8 2,-0.4 -57,-0.0 -1,-0.3 -0.814 85.2 -90.4-125.2 159.8 14.1 52.3 49.0 373 120 B P - 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0 0 31 -2,-0.5 4,-2.9 -3,-0.1 5,-0.3 -0.349 56.4 -66.5-113.1-165.7 -23.1 61.0 60.7 467 214 B A H > S+ 0 0 34 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.937 129.4 42.1 -49.5 -56.8 -19.9 61.8 62.5 468 215 B K H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.961 121.0 38.2 -59.9 -57.8 -21.5 63.6 65.4 469 216 B R H > S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.858 115.7 54.6 -64.6 -34.4 -24.5 61.4 66.0 470 217 B G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.5 0.962 109.3 47.3 -62.9 -47.9 -22.5 58.3 65.3 471 218 B Y H X S+ 0 0 14 -4,-2.8 4,-3.3 -5,-0.3 5,-0.2 0.848 108.3 54.0 -62.8 -39.3 -19.9 59.4 68.0 472 219 B N H X S+ 0 0 105 -4,-2.1 4,-1.0 2,-0.2 -1,-0.3 0.846 110.4 48.5 -61.5 -35.1 -22.6 60.2 70.6 473 220 B I H X S+ 0 0 10 -4,-1.5 4,-3.1 -3,-0.5 5,-0.4 0.954 115.6 42.8 -68.0 -51.4 -24.0 56.6 70.0 474 221 B I H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.901 110.6 55.4 -60.5 -50.0 -20.5 55.0 70.4 475 222 B R H < S+ 0 0 165 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.810 118.3 36.5 -55.0 -31.0 -19.6 57.2 73.4 476 223 B E H < S+ 0 0 146 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.900 133.0 19.8 -90.5 -47.6 -22.7 56.0 75.1 477 224 B F H < S- 0 0 42 -4,-3.1 2,-0.2 1,-0.3 -3,-0.2 0.568 102.2-127.4-101.7 -13.8 -23.1 52.3 74.1 478 225 B G < - 0 0 19 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.2 -0.602 50.4 -7.8 105.4-161.8 -19.6 51.5 73.0 479 226 B N S >> S- 0 0 40 -2,-0.2 4,-2.3 -4,-0.1 3,-1.1 -0.289 75.6 -92.4 -77.6 159.2 -18.1 49.9 69.8 480 227 B V H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.843 125.5 50.6 -32.2 -57.7 -20.0 48.4 66.9 481 228 B L H 3> S+ 0 0 85 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.862 110.6 47.8 -56.1 -41.5 -19.8 44.9 68.4 482 229 B D H <4 S+ 0 0 85 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.895 111.1 52.9 -65.1 -39.7 -21.2 46.1 71.8 483 230 B I H >< S+ 0 0 0 -4,-2.3 3,-1.1 -3,-0.3 -2,-0.2 0.872 108.8 48.8 -62.8 -37.1 -23.9 47.9 69.9 484 231 B I H >< S+ 0 0 31 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.975 103.2 60.8 -65.5 -49.6 -24.8 44.8 68.1 485 232 B D T 3< S+ 0 0 126 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.507 113.4 41.3 -58.6 -0.7 -24.8 42.9 71.5 486 233 B Q T < S+ 0 0 83 -3,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.104 81.7 167.9-142.7 36.4 -27.6 45.4 72.4 487 234 B L < + 0 0 36 -3,-1.7 2,-0.0 1,-0.1 -3,-0.0 -0.742 57.9 53.9 -93.0 145.1 -30.1 46.0 69.6 488 235 B P S S- 0 0 107 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.295 81.1-163.2 -74.1 130.2 -32.9 47.4 69.7 489 236 B L - 0 0 13 7,-0.3 11,-0.1 1,-0.1 -2,-0.1 -0.451 24.5 -98.7 -81.6 153.5 -31.3 50.5 71.3 490 237 B P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.195 74.1 84.7 -66.8 167.8 -33.6 53.0 73.0 491 238 B G - 0 0 36 1,-0.1 5,-0.1 5,-0.0 6,-0.1 0.228 65.5-126.3 107.4 127.7 -34.8 56.2 71.6 492 239 B K + 0 0 198 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.140 67.6 129.6 -89.1 22.3 -37.8 56.9 69.3 493 240 B Q >> - 0 0 88 1,-0.1 3,-2.3 -3,-0.1 4,-1.7 -0.599 66.7-126.6 -82.4 139.9 -35.6 58.6 66.8 494 241 B K H 3> S+ 0 0 180 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.821 108.4 53.9 -49.3 -41.1 -35.8 57.6 63.1 495 242 B Y H 3> S+ 0 0 42 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.396 104.8 53.7 -80.0 -1.9 -32.0 56.9 62.9 496 243 B I H <> S+ 0 0 11 -3,-2.3 4,-3.2 2,-0.2 -7,-0.3 0.780 106.4 51.3 -95.0 -40.9 -32.0 54.6 65.9 497 244 B Q H X S+ 0 0 96 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.912 109.2 53.8 -59.8 -37.2 -34.7 52.5 64.4 498 245 B N H >X S+ 0 0 50 -4,-1.7 3,-1.5 -5,-0.2 4,-0.5 0.961 109.9 45.0 -60.5 -48.7 -32.5 52.4 61.3 499 246 B L H >< S+ 0 0 1 -4,-0.7 3,-1.5 1,-0.3 4,-0.2 0.901 105.6 62.5 -61.0 -41.9 -29.5 51.2 63.4 500 247 B N H 3< S+ 0 0 29 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.644 112.4 36.6 -58.6 -18.9 -31.8 48.7 65.1 501 248 B A H << S+ 0 0 80 -3,-1.5 3,-0.4 -4,-0.7 -1,-0.3 0.358 100.5 79.1-114.0 -1.9 -32.3 47.1 61.7 502 249 B S XX + 0 0 22 -3,-1.5 4,-2.7 -4,-0.5 3,-0.7 0.291 50.9 118.8 -93.5 13.0 -28.8 47.6 60.3 503 250 B E H 3> S+ 0 0 89 1,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.840 79.5 45.6 -45.8 -45.4 -27.1 44.6 62.1 504 251 B E H 3> S+ 0 0 155 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.863 111.6 52.0 -69.8 -32.4 -26.1 42.9 58.9 505 252 B L H <> S+ 0 0 23 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.906 107.3 55.0 -69.1 -39.5 -24.9 46.2 57.3 506 253 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.948 108.1 46.3 -56.9 -53.3 -22.8 46.7 60.4 507 254 B F H X S+ 0 0 97 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.892 112.5 50.9 -60.4 -39.4 -21.1 43.4 60.1 508 255 B R H X S+ 0 0 71 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.971 114.0 42.8 -61.9 -55.7 -20.4 43.9 56.4 509 256 B N H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.846 106.7 61.4 -58.6 -43.5 -18.8 47.4 56.8 510 257 B L H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.893 103.2 49.9 -52.0 -45.8 -16.8 46.4 59.9 511 258 B I H < S+ 0 0 28 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.868 114.0 48.6 -60.5 -37.4 -14.9 43.8 57.8 512 259 B L H < S+ 0 0 6 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.819 120.9 30.8 -72.4 -40.1 -14.3 46.5 55.3 513 260 B V H < S+ 0 0 17 -4,-2.5 2,-2.2 1,-0.1 -2,-0.2 0.646 91.0 96.5 -97.9 -17.1 -13.0 49.3 57.5 514 261 B D X + 0 0 10 -4,-2.3 4,-2.0 -5,-0.3 5,-0.2 -0.492 48.2 168.4 -76.5 77.8 -11.3 47.2 60.3 515 262 B L H > + 0 0 6 -2,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.949 69.9 47.7 -59.7 -53.2 -7.9 47.6 58.8 516 263 B P H 4 S+ 0 0 32 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.818 116.1 44.8 -65.4 -22.2 -5.8 46.2 61.7 517 264 B T H 4 S+ 0 0 80 -3,-0.2 4,-0.3 1,-0.1 -2,-0.2 0.800 124.5 30.9 -87.7 -32.4 -8.1 43.1 62.1 518 265 B Y H X S+ 0 0 65 -4,-2.0 4,-2.4 2,-0.1 -3,-0.2 0.414 86.8 99.5-110.0 3.9 -8.4 42.2 58.4 519 266 B C H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.919 87.8 46.2 -56.6 -44.5 -5.1 43.4 56.9 520 267 B V H > S+ 0 0 51 -4,-0.3 4,-2.4 1,-0.2 3,-0.3 0.969 114.0 47.9 -64.2 -50.3 -3.5 39.9 57.0 521 268 B D H > S+ 0 0 78 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.839 110.7 56.5 -55.0 -37.1 -6.7 38.3 55.5 522 269 B A H < S+ 0 0 0 -4,-2.4 -195,-0.4 2,-0.2 4,-0.3 0.901 108.4 41.5 -65.3 -44.9 -6.5 41.1 53.0 523 270 B I H >< S+ 0 0 0 -4,-2.2 3,-0.9 -3,-0.3 -2,-0.2 0.849 113.3 56.1 -73.8 -29.8 -3.0 40.4 51.7 524 271 B A H >< S+ 0 0 26 -4,-2.4 3,-2.4 1,-0.2 -1,-0.2 0.670 85.8 79.7 -73.9 -17.0 -3.8 36.6 51.7 525 272 B A T 3< S+ 0 0 41 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.834 95.1 48.9 -60.3 -28.6 -6.8 37.1 49.5 526 273 B V T < S- 0 0 32 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.219 134.7 -52.1 -95.8 16.9 -4.4 37.3 46.6 527 274 B G <> - 0 0 22 -3,-2.4 4,-1.8 2,-0.1 3,-0.5 0.025 33.7-117.8 120.4 135.3 -2.6 34.1 47.7 528 275 B Q H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.800 116.6 57.9 -69.0 -25.3 -0.9 32.6 50.7 529 276 B D H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.768 104.0 49.3 -74.7 -30.0 2.3 32.6 48.6 530 277 B V H > S+ 0 0 41 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.837 111.3 50.4 -76.7 -39.1 2.2 36.4 48.1 531 278 B L H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.953 112.6 46.5 -64.2 -48.0 1.6 36.9 51.8 532 279 B D H X S+ 0 0 85 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.901 112.2 49.8 -62.3 -39.5 4.6 34.6 52.7 533 280 B K H X S+ 0 0 120 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.948 111.7 50.5 -62.5 -42.9 6.8 36.4 50.1 534 281 B F H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.854 108.8 50.1 -61.7 -40.1 5.8 39.7 51.6 535 282 B T H X S+ 0 0 23 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.837 108.3 52.7 -66.5 -41.0 6.6 38.7 55.2 536 283 B K H X S+ 0 0 120 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.907 112.2 47.1 -61.1 -44.2 10.1 37.4 54.2 537 284 B D H X S+ 0 0 38 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.991 113.5 44.8 -62.0 -60.9 10.8 40.7 52.6 538 285 B I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.910 116.6 47.5 -52.8 -45.0 9.5 42.9 55.5 539 286 B L H X S+ 0 0 54 -4,-2.7 4,-1.3 1,-0.2 -1,-0.3 0.899 110.7 51.5 -65.4 -36.0 11.3 40.7 58.0 540 287 B E H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 110.8 49.0 -67.4 -37.5 14.5 40.8 55.9 541 288 B I H < S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.9 41.0 -69.6 -40.8 14.4 44.6 55.7 542 289 B A H < S+ 0 0 3 -4,-2.1 2,-0.9 -5,-0.2 -1,-0.2 0.564 79.9 115.6 -87.1 -12.3 13.9 45.2 59.4 543 290 B E < 0 0 117 -4,-1.3 -4,-0.0 -5,-0.2 -150,-0.0 -0.523 360.0 360.0 -66.4 104.0 16.2 42.6 60.8 544 291 B Q 0 0 217 -2,-0.9 -1,-0.0 -148,-0.0 -148,-0.0 0.694 360.0 360.0 69.1 360.0 18.8 44.8 62.6