==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 12-JAN-11 3QB2 . COMPND 2 MOLECULE: IMMUNITY FACTOR FOR SPN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR C.L.SMITH,T.ELLENBERGER . 652 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 0 0 3 5 4 5 2 1 1 1 2 1 0 0 0 0 0 4 0 0 0 0 0 1 0 0 3 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 167 0, 0.0 265,-0.1 0, 0.0 263,-0.1 0.000 360.0 360.0 360.0 127.0 -15.8 59.3 47.5 2 2 A Y - 0 0 15 263,-0.8 2,-0.3 3,-0.0 264,-0.1 -0.406 360.0-171.4 -55.9 134.1 -16.1 62.3 49.7 3 3 A K - 0 0 61 -2,-0.1 260,-0.0 0, 0.0 -1,-0.0 -0.987 31.4-106.3-128.5 142.8 -13.4 62.3 52.3 4 4 A V - 0 0 67 -2,-0.3 3,-0.1 1,-0.1 209,-0.1 -0.529 46.6-113.4 -67.2 126.4 -13.2 64.8 55.2 5 5 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.192 38.8 -82.3 -61.5 154.8 -10.4 67.3 54.4 6 6 A K - 0 0 45 1,-0.1 159,-0.1 2,-0.1 5,-0.0 -0.354 49.2-129.8 -59.2 128.9 -7.2 67.5 56.4 7 7 A G > - 0 0 11 -3,-0.1 4,-0.9 -2,-0.1 3,-0.2 -0.147 20.2-109.8 -71.2 168.4 -7.6 69.6 59.7 8 8 A L H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.875 122.4 58.9 -64.9 -37.8 -5.3 72.4 60.9 9 9 A E H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.786 94.9 64.6 -61.9 -27.9 -4.2 69.9 63.6 10 10 A H H > S+ 0 0 103 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.919 107.7 39.8 -61.1 -44.8 -3.0 67.6 60.8 11 11 A Y H >X S+ 0 0 31 -4,-0.9 4,-1.6 -3,-0.5 3,-0.5 0.858 108.8 61.5 -73.5 -36.1 -0.4 70.1 59.7 12 12 A Q H 3X S+ 0 0 25 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.888 99.5 55.8 -56.8 -39.0 0.5 71.0 63.2 13 13 A K H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.7 45.5 -65.4 -30.8 1.6 67.4 63.9 14 14 A X H << S+ 0 0 33 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.772 123.4 31.3 -80.0 -28.5 4.0 67.6 61.0 15 15 A F H < S+ 0 0 1 -4,-1.6 2,-1.0 1,-0.2 -2,-0.2 0.649 99.0 75.3-113.5 -17.4 5.5 71.0 61.8 16 16 A Q S < S+ 0 0 83 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 -0.539 95.5 53.0 -93.4 65.8 5.5 71.4 65.6 17 17 A K S S- 0 0 132 -2,-1.0 2,-0.1 -3,-0.2 -3,-0.0 -0.921 110.7 -39.0-169.2-176.5 8.4 69.0 66.2 18 18 A E + 0 0 88 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.418 60.0 179.4 -57.6 129.8 12.0 68.6 64.9 19 19 A V - 0 0 16 -2,-0.1 2,-0.1 -4,-0.1 53,-0.1 -0.972 10.1-155.9-137.8 123.4 12.0 69.4 61.2 20 20 A T > - 0 0 69 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.420 31.8-104.9 -96.8 171.0 15.3 69.2 59.3 21 21 A V H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.969 122.9 51.0 -56.1 -52.8 16.5 70.9 56.1 22 22 A N H > S+ 0 0 92 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.832 106.8 52.9 -56.9 -39.5 16.0 67.6 54.3 23 23 A D H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.928 109.1 50.8 -57.9 -46.1 12.5 67.2 55.6 24 24 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 108.0 51.4 -63.0 -42.0 11.7 70.7 54.2 25 25 A K H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.959 111.5 48.3 -55.6 -48.4 13.2 69.8 50.8 26 26 A K H X S+ 0 0 92 -4,-2.2 4,-1.9 1,-0.2 6,-0.3 0.842 112.8 47.7 -64.9 -34.0 11.0 66.7 50.7 27 27 A Y H < S+ 0 0 22 -4,-2.4 10,-0.5 2,-0.2 -1,-0.2 0.891 111.3 50.2 -68.9 -41.0 7.9 68.7 51.7 28 28 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.853 121.5 32.6 -72.4 -36.5 8.4 71.5 49.2 29 29 A I H < S- 0 0 16 -4,-2.1 19,-2.3 -5,-0.2 -2,-0.2 0.929 84.4-170.7 -78.9 -55.1 8.9 69.2 46.3 30 30 A G < + 0 0 0 -4,-1.9 -3,-0.1 -5,-0.4 -4,-0.1 0.725 38.1 134.2 70.0 22.2 6.5 66.5 47.5 31 31 A S + 0 0 77 -5,-0.1 2,-0.7 16,-0.1 5,-0.1 0.890 62.0 73.8 -65.7 -37.5 7.4 63.8 45.0 32 32 A D S > S- 0 0 79 -6,-0.3 3,-2.5 1,-0.1 -1,-0.1 -0.693 86.6-141.3 -74.8 116.8 7.5 61.4 47.9 33 33 A K G > S+ 0 0 67 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.706 97.7 63.5 -54.9 -27.5 3.8 60.9 48.9 34 34 A E G 3 S+ 0 0 79 1,-0.2 -1,-0.3 3,-0.0 -7,-0.1 0.693 111.9 36.7 -70.0 -20.8 4.6 60.9 52.6 35 35 A Y G < S+ 0 0 52 -3,-2.5 2,-0.7 -9,-0.1 -1,-0.2 -0.121 90.0 123.7-118.6 32.3 5.8 64.5 52.3 36 36 A R < + 0 0 89 -3,-1.1 2,-0.5 -5,-0.1 -9,-0.1 -0.865 32.7 177.7-108.5 111.7 3.2 65.7 49.8 37 37 A I + 0 0 8 -2,-0.7 12,-3.3 -10,-0.5 2,-0.3 -0.952 15.7 155.1-116.6 118.8 1.0 68.7 50.7 38 38 A T - 0 0 50 -2,-0.5 2,-0.3 10,-0.3 10,-0.1 -0.895 40.6-112.9-139.0 163.7 -1.5 70.0 48.2 39 39 A R - 0 0 35 -2,-0.3 3,-0.1 1,-0.1 12,-0.0 -0.680 36.4-115.0 -90.4 153.3 -4.8 71.9 47.6 40 40 A R S S+ 0 0 69 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.933 112.2 43.9 -51.3 -54.0 -7.8 70.0 46.2 41 41 A D S S+ 0 0 73 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.847 88.0 134.8 -96.1 100.9 -7.8 72.1 43.1 42 42 A S - 0 0 25 -2,-0.9 3,-0.2 -3,-0.1 2,-0.1 -0.955 57.6-111.0-155.0 137.9 -4.1 72.2 42.0 43 43 A Y S S+ 0 0 44 -2,-0.3 4,-0.1 1,-0.2 99,-0.1 -0.401 99.8 13.0 -57.6 130.8 -2.0 71.9 39.0 44 44 A X > - 0 0 39 -2,-0.1 3,-1.7 1,-0.1 -1,-0.2 0.994 67.4-164.3 60.4 77.4 0.2 68.7 39.1 45 45 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.622 83.0 69.7 -65.3 -16.5 -1.3 66.7 42.0 46 46 A D T 3 S+ 0 0 94 2,-0.1 2,-0.3 -8,-0.0 -1,-0.3 0.434 99.8 57.4 -79.9 0.7 1.8 64.5 42.2 47 47 A I S < S- 0 0 12 -3,-1.7 -17,-0.2 -4,-0.1 -18,-0.1 -0.893 90.5-104.4-130.3 155.8 3.8 67.5 43.5 48 48 A S - 0 0 1 -19,-2.3 -10,-0.3 -2,-0.3 3,-0.1 -0.378 20.3-126.3 -85.4 161.8 3.2 69.7 46.6 49 49 A D >> - 0 0 31 -12,-3.3 4,-1.6 1,-0.1 3,-0.9 -0.907 12.3-158.5-105.9 102.1 1.8 73.3 46.8 50 50 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.786 89.8 63.4 -51.7 -30.8 4.2 75.6 48.7 51 51 A E H 3> S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.926 104.6 45.5 -63.5 -44.6 1.4 78.0 49.4 52 52 A V H <> S+ 0 0 12 -3,-0.9 4,-2.0 1,-0.2 5,-0.5 0.875 111.8 54.1 -62.6 -36.1 -0.5 75.4 51.5 53 53 A I H X>S+ 0 0 2 -4,-1.6 5,-2.6 -16,-0.2 4,-1.4 0.943 115.6 37.7 -63.1 -47.7 2.8 74.5 53.2 54 54 A L H <>S+ 0 0 2 -4,-2.6 5,-2.5 3,-0.2 -2,-0.2 0.963 121.4 42.3 -66.2 -54.2 3.5 78.1 54.2 55 55 A E H <5S+ 0 0 6 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.809 130.2 22.4 -69.3 -36.2 -0.0 79.2 55.1 56 56 A Y H <5S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.2 0.588 134.2 24.1-111.8 -13.3 -1.2 76.1 57.0 57 57 A G T X5S+ 0 0 2 -4,-1.4 4,-1.8 -5,-0.5 -3,-0.2 0.749 120.8 31.0-115.1 -73.7 2.1 74.5 58.1 58 58 A V H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.916 114.9 48.5 -62.6 -39.0 1.4 78.5 62.3 61 61 A A H X>S+ 0 0 2 -4,-1.8 5,-2.4 2,-0.2 4,-1.0 0.892 109.6 51.5 -67.3 -42.9 4.3 76.5 63.6 62 62 A F H ><5S+ 0 0 35 -4,-2.8 3,-0.7 3,-0.2 -1,-0.2 0.912 109.3 50.2 -58.9 -42.7 6.7 79.4 63.6 63 63 A I H 3<5S+ 0 0 95 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.918 104.7 58.2 -65.8 -40.5 4.2 81.5 65.6 64 64 A K H 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.747 134.0 -88.9 -58.9 -25.5 3.8 78.7 68.1 65 65 A G T <<5S+ 0 0 50 -4,-1.0 2,-1.7 -3,-0.7 -3,-0.2 0.383 92.2 122.4 132.1 0.7 7.6 79.0 68.7 66 66 A Y > < + 0 0 96 -5,-2.4 3,-1.4 1,-0.2 4,-0.1 -0.443 28.8 154.7 -87.7 66.3 9.3 76.7 66.2 67 67 A T T > + 0 0 75 -2,-1.7 3,-1.2 1,-0.3 4,-0.5 0.552 51.6 81.2 -84.7 -5.6 11.3 79.6 64.7 68 68 A Q T 3> S+ 0 0 138 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.677 74.2 82.4 -64.3 -18.4 14.2 77.5 63.4 69 69 A L H <> S+ 0 0 6 -3,-1.4 4,-2.5 1,-0.2 5,-0.3 0.813 83.0 61.0 -54.6 -30.6 11.9 76.8 60.5 70 70 A K H <> S+ 0 0 51 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.977 110.0 35.2 -65.0 -58.3 12.9 80.2 58.9 71 71 A A H > S+ 0 0 48 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.873 119.1 52.6 -64.6 -37.2 16.7 79.5 58.5 72 72 A N H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.898 109.3 46.8 -68.0 -41.4 16.1 75.8 57.7 73 73 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.865 111.4 54.7 -68.6 -33.2 13.5 76.5 54.9 74 74 A E H X S+ 0 0 31 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.937 110.2 44.5 -58.3 -48.2 16.0 79.1 53.6 75 75 A E H X S+ 0 0 96 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.915 112.3 53.4 -63.8 -43.5 18.7 76.5 53.5 76 76 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 111.5 44.5 -55.8 -47.7 16.3 74.1 51.9 77 77 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.857 110.0 56.8 -68.3 -34.4 15.4 76.7 49.2 78 78 A L H X S+ 0 0 61 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.928 111.8 41.8 -58.3 -46.8 19.2 77.4 48.8 79 79 A E H < S+ 0 0 74 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.906 114.1 51.1 -73.0 -41.2 19.9 73.7 48.0 80 80 A X H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 5,-0.3 0.893 110.9 49.2 -59.3 -40.2 16.8 73.3 45.8 81 81 A S H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.663 114.2 44.5 -78.5 -16.7 17.7 76.4 43.7 82 82 A N T 3< S+ 0 0 55 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.151 87.9 94.3-110.2 20.0 21.3 75.3 43.2 83 83 A S S < S- 0 0 31 -3,-0.9 417,-0.5 2,-0.2 -1,-0.1 0.548 83.7-131.3 -90.8 -14.6 20.6 71.6 42.3 84 84 A G + 0 0 8 -3,-0.2 2,-0.6 1,-0.2 -3,-0.1 0.524 68.7 125.3 71.0 4.8 20.5 71.8 38.5 85 85 A Q >> - 0 0 24 -5,-0.3 4,-2.1 1,-0.2 3,-0.6 -0.881 57.7-145.8-103.9 119.7 17.2 69.9 38.7 86 86 A A H 3> S+ 0 0 12 -2,-0.6 4,-2.9 1,-0.3 -1,-0.2 0.861 96.2 49.1 -51.7 -50.5 14.3 71.7 36.9 87 87 A L H 3> S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.840 111.2 50.0 -61.8 -37.5 11.5 70.5 39.2 88 88 A D H <> S+ 0 0 39 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.876 112.4 47.4 -69.4 -37.1 13.5 71.5 42.4 89 89 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.924 110.7 53.2 -69.7 -40.1 14.2 75.0 40.9 90 90 A Y H X S+ 0 0 4 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.909 108.3 47.8 -62.0 -44.8 10.5 75.3 39.9 91 91 A Q H X S+ 0 0 4 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.795 109.9 54.4 -68.7 -30.5 9.3 74.6 43.4 92 92 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.896 111.5 43.9 -63.5 -46.2 11.8 77.1 44.8 93 93 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 112.7 53.0 -64.1 -40.8 10.4 79.8 42.5 94 94 A Q H X S+ 0 0 29 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.822 107.5 51.4 -68.1 -26.4 6.9 78.7 43.4 95 95 A T H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.900 109.7 48.9 -76.0 -41.2 7.7 79.1 47.1 96 96 A L H X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.885 112.2 50.0 -61.7 -39.7 9.0 82.6 46.5 97 97 A N H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.878 107.5 54.1 -65.7 -39.9 5.8 83.4 44.5 98 98 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.888 105.9 51.5 -62.6 -41.9 3.7 82.0 47.3 99 99 A E H X S+ 0 0 11 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.964 110.9 49.6 -59.3 -51.6 5.3 84.3 50.0 100 100 A N H X S+ 0 0 47 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.920 112.0 46.3 -50.9 -50.4 4.6 87.3 47.7 101 101 A X H X S+ 0 0 49 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.860 115.0 46.8 -70.5 -30.7 1.0 86.4 47.1 102 102 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.862 110.1 53.8 -75.2 -38.2 0.4 85.7 50.8 103 103 A L H X S+ 0 0 61 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.930 107.9 52.2 -57.5 -44.2 2.2 89.0 51.8 104 104 A N H < S+ 0 0 140 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.804 115.1 39.6 -67.4 -30.1 -0.1 90.8 49.5 105 105 A Y H < S+ 0 0 119 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.906 124.8 34.2 -83.1 -45.0 -3.3 89.3 51.0 106 106 A Y H < S- 0 0 25 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.699 91.4-140.6 -85.2 -20.4 -2.3 89.4 54.7 107 107 A E S < S+ 0 0 161 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 0.302 80.3 38.0 70.3 -8.5 -0.3 92.6 54.5 108 108 A S - 0 0 30 -6,-0.3 51,-0.2 -5,-0.1 -2,-0.1 -0.960 67.0-156.8-153.7 164.8 2.3 91.1 56.9 109 109 A L - 0 0 8 -2,-0.3 3,-0.1 49,-0.1 -6,-0.0 -0.960 32.5-113.4-136.8 156.7 3.8 87.7 57.5 110 110 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.806 99.1 0.3 -62.7 -30.3 5.5 86.2 60.7 111 111 A F - 0 0 10 -41,-0.0 2,-0.4 -3,-0.0 -49,-0.0 -0.978 67.9-131.2-152.2 163.8 8.8 86.2 58.9 112 112 A Y - 0 0 113 -2,-0.3 2,-0.2 -3,-0.1 -42,-0.0 -0.945 25.7-122.9-118.5 130.7 10.4 87.1 55.6 113 113 A L - 0 0 11 -2,-0.4 2,-0.8 -17,-0.1 -42,-0.1 -0.507 19.9-123.2 -69.0 137.3 12.6 84.8 53.6 114 114 A N + 0 0 112 -2,-0.2 4,-0.3 1,-0.1 -1,-0.1 -0.786 41.2 173.2 -74.8 112.3 16.1 86.1 52.7 115 115 A R > + 0 0 59 -2,-0.8 4,-3.1 2,-0.1 5,-0.2 0.482 44.0 91.9-108.0 -2.7 15.8 85.6 49.0 116 116 A Q H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.955 91.1 42.3 -65.5 -56.1 18.9 87.1 47.3 117 117 A S H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 117.5 49.1 -54.5 -43.1 21.1 84.0 47.2 118 118 A I H > S+ 0 0 3 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.938 112.1 48.0 -62.4 -47.6 18.1 81.9 46.0 119 119 A L H X S+ 0 0 25 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.901 110.5 52.3 -58.7 -44.1 17.2 84.5 43.4 120 120 A A H X S+ 0 0 23 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.888 109.6 49.6 -58.6 -41.7 20.9 84.5 42.3 121 121 A N H X S+ 0 0 17 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.884 108.8 52.2 -66.0 -39.9 20.8 80.7 41.9 122 122 A I H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.937 108.2 50.1 -61.8 -48.0 17.6 80.8 39.9 123 123 A T H X S+ 0 0 5 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.913 109.1 52.8 -58.4 -42.9 19.0 83.3 37.4 124 124 A K H >< S+ 0 0 101 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.927 110.3 48.3 -55.2 -45.2 22.1 81.1 37.0 125 125 A A H >< S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 7,-0.4 0.836 101.6 63.8 -66.3 -32.2 19.8 78.2 36.3 126 126 A L H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 6,-0.2 0.763 88.8 69.3 -65.4 -23.5 17.9 80.3 33.7 127 127 A K T << S+ 0 0 110 -4,-1.0 2,-0.5 -3,-0.9 -1,-0.3 0.754 84.7 85.6 -63.5 -22.6 21.0 80.6 31.6 128 128 A D S <> S- 0 0 21 -3,-1.5 4,-2.4 -4,-0.4 5,-0.3 -0.697 74.5-145.9 -86.7 128.2 20.6 76.8 30.8 129 129 A A H > S+ 0 0 56 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.925 96.2 48.7 -61.2 -52.8 18.3 76.0 27.9 130 130 A H H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.848 113.0 49.1 -55.2 -41.0 16.9 72.8 29.3 131 131 A I H > S+ 0 0 1 -6,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.963 113.6 42.9 -67.2 -52.4 16.1 74.3 32.7 132 132 A R H X S+ 0 0 114 -4,-2.4 4,-2.7 -7,-0.4 -2,-0.2 0.872 115.8 50.5 -65.5 -33.0 14.4 77.5 31.4 133 133 A E H X S+ 0 0 59 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.911 110.2 48.8 -68.8 -44.5 12.4 75.4 28.8 134 134 A A H X S+ 0 0 22 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.930 114.6 46.9 -57.8 -43.5 11.3 72.9 31.4 135 135 A X H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.886 109.4 52.1 -70.2 -38.9 10.2 75.8 33.6 136 136 A A H X S+ 0 0 37 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.910 110.2 51.1 -55.7 -44.0 8.4 77.6 30.8 137 137 A H H X S+ 0 0 135 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.914 111.0 45.7 -65.3 -43.6 6.6 74.3 30.1 138 138 A Y H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.936 114.7 50.0 -60.2 -45.3 5.5 73.9 33.8 139 139 A K H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.957 111.3 46.5 -61.6 -50.3 4.5 77.6 33.8 140 140 A L H X S+ 0 0 120 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.859 110.7 55.0 -58.0 -36.7 2.4 77.3 30.6 141 141 A G H X S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.934 105.9 50.6 -61.3 -48.3 0.8 74.2 32.0 142 142 A E H X S+ 0 0 41 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.881 110.6 50.0 -56.5 -43.4 -0.3 76.0 35.2 143 143 A F H X S+ 0 0 27 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.959 111.2 48.3 -57.5 -52.3 -1.8 78.8 33.1 144 144 A A H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 111.4 50.8 -55.9 -44.0 -3.7 76.2 30.9 145 145 A H H X S+ 0 0 67 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.889 111.4 46.8 -63.5 -40.9 -4.9 74.4 34.0 146 146 A Y H X S+ 0 0 58 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.882 111.1 52.3 -68.3 -37.8 -6.2 77.6 35.6 147 147 A Q H X S+ 0 0 104 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.900 105.2 55.0 -65.1 -40.5 -7.9 78.6 32.3 148 148 A D H X S+ 0 0 105 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.794 105.8 53.4 -61.1 -31.5 -9.7 75.2 32.2 149 149 A T H X S+ 0 0 71 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.863 106.2 51.9 -70.7 -36.4 -11.1 75.9 35.7 150 150 A X H X S+ 0 0 33 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.834 104.8 58.9 -67.5 -31.1 -12.5 79.3 34.5 151 151 A L H >X S+ 0 0 113 -4,-1.6 4,-2.4 1,-0.2 3,-0.6 0.950 101.3 52.5 -63.1 -50.7 -14.2 77.5 31.6 152 152 A D H 3X S+ 0 0 65 -4,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.867 107.1 53.0 -54.3 -38.7 -16.2 75.3 33.8 153 153 A X H 3< S+ 0 0 62 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.833 107.1 52.2 -72.3 -30.4 -17.5 78.2 35.7 154 154 A V H << S+ 0 0 86 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.909 103.5 57.3 -64.1 -40.5 -18.6 79.8 32.5 155 155 A E H < 0 0 88 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.936 360.0 360.0 -61.8 -40.1 -20.4 76.6 31.6 156 156 A R < 0 0 90 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.711 360.0 360.0-100.8 360.0 -22.3 77.1 34.9 157 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 158 1 B X 0 0 166 0, 0.0 2,-0.3 0, 0.0 -51,-0.1 0.000 360.0 360.0 360.0 161.4 -1.7 91.0 59.3 159 2 B Y - 0 0 7 -51,-0.2 2,-0.4 3,-0.0 -50,-0.1 -0.496 360.0-178.6 -63.6 124.4 -1.3 87.3 58.9 160 3 B K - 0 0 61 -2,-0.3 -54,-0.0 -51,-0.0 0, 0.0 -0.985 37.9-100.9-122.4 140.0 -3.6 85.3 61.1 161 4 B V - 0 0 61 -2,-0.4 -105,-0.1 1,-0.1 3,-0.1 -0.381 48.5-113.4 -54.9 128.5 -3.6 81.5 61.2 162 5 B P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.270 37.7 -85.3 -70.6 158.1 -6.6 80.4 59.1 163 6 B K - 0 0 46 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.374 46.7-132.1 -71.7 129.2 -9.6 78.7 60.7 164 7 B G > - 0 0 8 -2,-0.2 4,-1.3 1,-0.1 -1,-0.1 -0.076 21.7-112.5 -70.3 169.0 -9.4 74.9 61.2 165 8 B L H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.856 123.8 58.9 -59.5 -39.6 -11.8 71.9 60.4 166 9 B E H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.882 99.8 54.5 -56.7 -44.6 -11.9 71.8 64.2 167 10 B H H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.915 109.3 46.8 -58.5 -46.2 -13.2 75.4 64.3 168 11 B Y H >X S+ 0 0 18 -4,-1.3 4,-1.6 1,-0.2 3,-0.6 0.822 105.3 59.4 -70.7 -31.0 -16.1 74.7 62.0 169 12 B Q H 3X S+ 0 0 19 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.800 96.9 60.3 -70.3 -25.1 -17.1 71.5 63.8 170 13 B K H 3< S+ 0 0 69 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.808 110.3 44.9 -66.0 -26.4 -17.7 73.5 67.1 171 14 B X H << S+ 0 0 35 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.840 122.2 32.3 -83.5 -36.2 -20.3 75.3 65.0 172 15 B F H < S+ 0 0 0 -4,-1.6 2,-1.3 1,-0.2 -2,-0.2 0.641 98.4 77.0-104.4 -18.5 -22.0 72.4 63.3 173 16 B Q S < S+ 0 0 64 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 -0.546 96.1 48.6 -90.6 65.8 -21.8 69.5 65.8 174 17 B K S S- 0 0 125 -2,-1.3 2,-0.3 -3,-0.1 -3,-0.0 -0.913 111.7 -38.1-170.4-168.8 -24.6 70.9 68.0 175 18 B E + 0 0 166 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.560 57.8 178.8 -66.2 129.9 -28.2 72.3 67.5 176 19 B V - 0 0 11 -2,-0.3 53,-0.1 -4,-0.1 -4,-0.0 -0.912 11.1-156.8-135.8 112.6 -28.3 74.3 64.4 177 20 B T > - 0 0 48 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.090 30.1-105.0 -79.7 178.5 -31.6 75.9 63.4 178 21 B V H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.954 122.3 50.5 -68.3 -52.5 -32.9 77.0 60.1 179 22 B N H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 108.8 54.6 -53.5 -37.8 -32.5 80.7 60.9 180 23 B D H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 107.4 49.3 -60.5 -44.4 -28.9 79.8 62.0 181 24 B L H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.802 107.5 53.9 -71.6 -28.6 -28.2 78.2 58.6 182 25 B K H X S+ 0 0 56 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.926 109.1 49.4 -65.7 -45.1 -29.6 81.2 56.7 183 26 B K H X S+ 0 0 33 -4,-2.0 4,-1.7 -5,-0.2 6,-0.3 0.845 114.2 45.1 -63.4 -34.3 -27.2 83.4 58.7 184 27 B Y H < S+ 0 0 23 -4,-1.8 10,-0.4 2,-0.2 -2,-0.2 0.913 113.1 49.2 -73.5 -44.0 -24.3 81.1 57.8 185 28 B L H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.875 122.1 34.1 -65.9 -38.3 -25.2 80.7 54.1 186 29 B I H < S- 0 0 22 -4,-2.4 19,-1.9 -5,-0.2 -2,-0.2 0.973 84.5-172.2 -76.9 -64.6 -25.5 84.5 53.7 187 30 B G < + 0 0 0 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.660 36.7 134.5 82.5 20.1 -22.8 85.5 56.2 188 31 B S + 0 0 82 -5,-0.1 2,-0.4 16,-0.1 5,-0.1 0.769 61.8 75.1 -69.7 -26.0 -23.4 89.3 56.2 189 32 B D S > S- 0 0 85 -6,-0.3 3,-0.6 1,-0.1 0, 0.0 -0.743 84.7-139.2 -82.2 134.7 -23.1 89.0 60.0 190 33 B K G > S+ 0 0 73 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.797 98.4 58.5 -72.6 -31.2 -19.4 88.5 61.0 191 34 B E G 3 S+ 0 0 70 1,-0.2 -1,-0.2 3,-0.0 -7,-0.0 0.802 113.4 40.4 -66.1 -28.6 -20.1 85.9 63.8 192 35 B Y G < S+ 0 0 69 -3,-0.6 2,-0.4 -9,-0.1 -1,-0.2 0.150 89.7 120.4-103.0 17.5 -21.8 83.7 61.2 193 36 B R < - 0 0 78 -3,-1.0 2,-0.4 -5,-0.1 -9,-0.1 -0.692 36.4-177.7 -95.2 133.2 -19.3 84.3 58.3 194 37 B I + 0 0 2 -2,-0.4 12,-2.7 -10,-0.4 2,-0.3 -0.977 21.9 129.9-133.5 116.2 -17.4 81.4 56.8 195 38 B T - 0 0 36 -2,-0.4 2,-0.3 10,-0.2 10,-0.1 -0.983 42.5-127.6-156.4 164.2 -14.8 82.0 54.0 196 39 B R > - 0 0 34 -2,-0.3 3,-1.8 -34,-0.1 13,-0.0 -0.782 39.8-100.0-111.8 162.4 -11.3 81.3 52.8 197 40 B R T 3 S+ 0 0 34 -2,-0.3 5,-0.1 1,-0.3 -1,-0.0 0.854 119.0 46.1 -44.2 -51.2 -8.7 83.8 51.6 198 41 B D T 3 S+ 0 0 105 2,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.190 84.9 120.4 -91.4 18.8 -9.2 83.3 47.8 199 42 B S S < S- 0 0 14 -3,-1.8 3,-0.3 1,-0.1 2,-0.3 -0.574 70.8-108.3 -78.3 146.1 -13.1 83.4 48.0 200 43 B Y S S+ 0 0 61 -2,-0.2 4,-0.1 1,-0.2 99,-0.1 -0.608 98.0 18.4 -76.1 132.0 -14.9 86.0 45.9 201 44 B X S > S- 0 0 44 -2,-0.3 3,-2.1 97,-0.1 -1,-0.2 0.970 70.1-156.2 67.5 66.3 -16.5 88.8 48.1 202 45 B G T 3 S+ 0 0 55 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.420 86.0 68.1 -55.7 -0.4 -14.6 88.5 51.5 203 46 B D T 3 S+ 0 0 91 2,-0.1 -1,-0.3 -10,-0.0 2,-0.3 0.180 100.2 49.1-105.8 11.2 -17.6 90.1 53.3 204 47 B I S < S- 0 0 7 -3,-2.1 -17,-0.2 -4,-0.1 -16,-0.1 -0.948 92.3 -91.2-138.1 167.0 -20.0 87.2 52.7 205 48 B S - 0 0 4 -19,-1.9 -10,-0.2 -2,-0.3 -2,-0.1 -0.296 24.2-133.6 -75.7 161.2 -19.8 83.4 53.3 206 49 B D >> - 0 0 34 -12,-2.7 4,-1.9 1,-0.1 3,-1.0 -0.957 9.8-156.3-115.2 105.6 -18.7 80.8 50.7 207 50 B P H 3> S+ 0 0 5 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.789 91.4 62.8 -55.2 -31.5 -21.2 77.9 50.7 208 51 B E H 3> S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 105.9 43.9 -61.3 -43.4 -18.5 75.6 49.3 209 52 B V H <>>S+ 0 0 14 -3,-1.0 4,-2.3 2,-0.2 5,-0.6 0.891 114.4 51.6 -66.4 -39.3 -16.4 76.0 52.4 210 53 B I H X>S+ 0 0 2 -4,-1.9 5,-2.5 -16,-0.2 4,-1.5 0.950 116.1 39.5 -61.8 -50.8 -19.5 75.6 54.5 211 54 B L H <>S+ 0 0 6 -4,-3.5 5,-2.2 3,-0.2 -2,-0.2 0.931 120.7 42.7 -63.0 -49.4 -20.5 72.4 52.8 212 55 B E H <5S+ 0 0 7 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.838 130.7 20.1 -74.1 -37.5 -17.0 70.9 52.5 213 56 B Y H <5S+ 0 0 74 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.599 135.0 29.6-104.5 -17.4 -15.5 71.7 56.0 214 57 B G T X S+ 0 0 8 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.891 116.3 45.5 -62.0 -33.8 -18.2 66.3 58.2 218 61 B A H <>S+ 0 0 0 -4,-1.2 5,-2.1 2,-0.2 -2,-0.2 0.829 110.0 53.5 -75.7 -35.4 -20.9 67.0 60.9 219 62 B F H ><5S+ 0 0 38 -4,-2.3 3,-1.8 1,-0.2 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10,-0.2 10,-0.1 -0.961 45.4-109.5-148.2 164.0 20.9 54.0 33.8 535 39 D R - 0 0 46 -2,-0.3 3,-0.2 2,-0.1 13,-0.0 -0.442 37.9-106.0 -88.1 169.5 24.4 55.3 34.0 536 40 D R S S+ 0 0 86 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.976 114.4 41.9 -59.6 -62.8 25.6 58.6 32.4 537 41 D D S S+ 0 0 78 2,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.776 91.6 154.6 -92.3 96.3 27.5 57.1 29.4 538 42 D S > - 0 0 30 -2,-1.1 3,-0.6 -3,-0.2 2,-0.4 -0.988 48.1-123.2-141.5 136.3 25.0 54.4 28.5 539 43 D Y T 3 S+ 0 0 61 -2,-0.4 4,-0.1 1,-0.3 99,-0.1 -0.602 99.8 8.0 -78.5 127.9 24.0 52.4 25.4 540 44 D X T > S- 0 0 39 -2,-0.4 3,-1.0 2,-0.1 -1,-0.3 0.991 73.8-172.8 59.3 63.6 20.3 52.8 24.7 541 45 D G T < S+ 0 0 39 -3,-0.6 -2,-0.1 1,-0.3 -1,-0.1 0.792 75.7 73.3 -54.0 -33.0 19.6 55.6 27.2 542 46 D D T 3 S+ 0 0 105 2,-0.0 2,-0.3 -10,-0.0 -1,-0.3 0.303 101.9 53.2 -64.2 15.5 15.9 55.4 26.6 543 47 D I S < S- 0 0 8 -3,-1.0 -17,-0.3 -4,-0.1 -18,-0.1 -0.972 92.8 -91.3-155.6 150.7 16.0 52.1 28.5 544 48 D S - 0 0 5 -19,-2.5 -10,-0.2 -2,-0.3 -12,-0.1 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50.5 -61.7 -52.7 18.4 46.0 49.5 558 62 D F H ><5S+ 0 0 39 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.902 105.0 56.7 -52.7 -48.5 18.4 42.2 49.8 559 63 D I H 3<5S+ 0 0 95 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.841 103.1 55.5 -53.7 -37.7 21.3 42.3 52.2 560 64 D K T <<5S- 0 0 132 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.214 133.1 -86.2 -85.5 13.8 19.3 44.5 54.5 561 65 D G T < 5S+ 0 0 50 -3,-2.4 2,-2.3 1,-0.1 -3,-0.2 0.309 90.1 125.8 110.3 -6.6 16.5 42.0 54.6 562 66 D Y > < + 0 0 93 -5,-1.5 3,-1.5 1,-0.2 4,-0.2 -0.385 28.4 155.9 -83.5 66.3 14.2 42.8 51.6 563 67 D T T >> + 0 0 85 -2,-2.3 4,-0.6 1,-0.3 3,-0.6 0.448 52.2 79.0 -82.3 -3.2 14.6 39.2 50.5 564 68 D Q H 3> S+ 0 0 60 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.686 76.7 79.8 -70.9 -19.7 11.3 39.1 48.5 565 69 D L H <> S+ 0 0 8 -3,-1.5 4,-2.9 1,-0.2 5,-0.3 0.883 87.3 56.5 -51.7 -42.0 13.3 40.9 45.8 566 70 D K H <> S+ 0 0 63 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.945 112.1 36.5 -58.1 -58.1 14.9 37.6 44.8 567 71 D A H X S+ 0 0 56 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.801 119.7 50.3 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113 -2,-0.3 2,-0.2 -3,-0.0 -42,-0.0 -0.995 24.9-111.7-138.8 142.8 21.6 33.9 42.4 609 113 D L - 0 0 12 -2,-0.4 2,-1.6 1,-0.1 3,-0.1 -0.491 20.7-128.3 -76.3 133.9 18.7 33.8 39.9 610 114 D N + 0 0 68 -2,-0.2 4,-0.3 1,-0.2 3,-0.2 -0.695 50.2 159.7 -75.6 91.0 16.9 30.6 39.3 611 115 D R > + 0 0 44 -2,-1.6 4,-2.8 1,-0.2 5,-0.3 0.456 34.1 97.6-105.2 -6.2 17.5 31.1 35.6 612 116 D Q H > S+ 0 0 171 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 93.9 39.4 -50.7 -52.8 17.1 27.7 33.9 613 117 D S H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.811 112.0 57.6 -71.9 -31.0 13.5 28.3 32.9 614 118 D I H > S+ 0 0 2 -4,-0.3 4,-1.6 2,-0.2 3,-0.5 0.958 108.5 46.7 -58.9 -51.7 14.2 32.0 31.9 615 119 D L H X S+ 0 0 50 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.851 107.5 57.6 -58.2 -38.1 16.9 30.8 29.5 616 120 D A H X S+ 0 0 55 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.846 106.2 49.0 -65.5 -33.9 14.5 28.2 28.1 617 121 D N H X S+ 0 0 41 -4,-1.5 4,-2.9 -3,-0.5 -1,-0.2 0.843 110.7 49.8 -70.8 -36.0 12.0 30.9 27.2 618 122 D I H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.891 108.9 52.7 -69.4 -38.7 14.6 33.0 25.5 619 123 D T H < S+ 0 0 86 -4,-2.4 4,-0.2 2,-0.2 -2,-0.2 0.868 112.0 45.9 -64.6 -38.3 15.8 29.9 23.5 620 124 D K H >< S+ 0 0 54 -4,-1.5 3,-1.9 1,-0.2 4,-0.3 0.952 111.6 51.0 -65.9 -50.8 12.2 29.4 22.4 621 125 D A H >< S+ 0 0 12 -4,-2.9 3,-2.0 1,-0.3 6,-0.3 0.849 100.1 65.6 -54.8 -35.1 11.7 33.1 21.6 622 126 D L T 3< S+ 0 0 47 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.575 83.3 74.5 -70.8 -9.7 14.9 33.0 19.5 623 127 D K T < S+ 0 0 173 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.3 0.709 80.6 86.7 -69.7 -22.7 13.3 30.6 17.0 624 128 D D S X> S- 0 0 83 -3,-2.0 4,-1.9 -4,-0.3 3,-0.8 -0.700 79.8-139.9 -80.6 126.5 11.3 33.7 15.7 625 129 D A H 3> S+ 0 0 49 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.867 98.0 55.3 -53.1 -40.5 13.3 35.6 13.1 626 130 D H H 3> S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.798 108.1 45.9 -71.0 -29.9 12.3 39.0 14.4 627 131 D I H <> S+ 0 0 1 -3,-0.8 4,-2.6 -6,-0.3 -1,-0.2 0.928 115.0 48.5 -73.4 -45.4 13.6 38.5 18.0 628 132 D R H X S+ 0 0 119 -4,-1.9 4,-2.4 -7,-0.3 -2,-0.2 0.930 113.0 45.2 -60.5 -49.7 16.8 37.0 16.7 629 133 D E H X S+ 0 0 125 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.879 112.5 52.5 -68.6 -34.2 17.6 39.8 14.2 630 134 D A H X S+ 0 0 21 -4,-1.3 4,-2.5 -5,-0.3 5,-0.2 0.939 109.1 49.8 -61.3 -46.9 16.7 42.4 16.8 631 135 D X H X S+ 0 0 28 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.937 109.7 52.0 -58.9 -47.0 19.1 40.8 19.3 632 136 D A H X S+ 0 0 64 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 111.2 46.8 -52.5 -50.3 21.8 40.8 16.6 633 137 D H H X S+ 0 0 127 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.880 110.0 51.6 -63.9 -42.2 21.3 44.5 15.8 634 138 D Y H X S+ 0 0 52 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.919 111.8 48.2 -64.3 -39.6 21.3 45.6 19.5 635 139 D K H X S+ 0 0 48 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.901 109.6 51.4 -68.8 -40.0 24.5 43.8 20.1 636 140 D L H X S+ 0 0 122 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.941 108.7 53.0 -59.1 -44.0 26.2 45.3 17.0 637 141 D G H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.809 100.5 60.5 -63.0 -30.4 25.1 48.8 18.3 638 142 D E H X S+ 0 0 54 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.902 106.6 46.7 -63.7 -39.1 26.8 48.2 21.6 639 143 D F H X S+ 0 0 34 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.899 111.9 50.1 -67.0 -42.0 30.1 47.7 19.9 640 144 D A H X S+ 0 0 43 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 107.5 55.0 -62.5 -41.5 29.5 50.9 17.8 641 145 D H H X S+ 0 0 59 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.915 109.9 46.6 -56.8 -42.5 28.6 52.8 21.0 642 146 D Y H X S+ 0 0 43 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.856 108.2 54.5 -71.2 -34.2 32.0 51.7 22.4 643 147 D Q H X S+ 0 0 103 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.905 101.8 59.9 -64.6 -37.8 33.8 52.7 19.2 644 148 D D H X S+ 0 0 98 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.869 104.8 50.0 -51.3 -42.2 32.2 56.2 19.6 645 149 D T H X S+ 0 0 49 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.923 109.8 49.3 -65.4 -46.3 34.0 56.5 22.9 646 150 D X H X S+ 0 0 32 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.887 109.7 52.4 -57.9 -41.0 37.4 55.5 21.5 647 151 D L H X S+ 0 0 105 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 107.1 51.4 -67.1 -40.4 37.0 58.0 18.7 648 152 D D H X S+ 0 0 93 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.873 109.8 51.6 -60.5 -37.9 36.3 60.8 21.2 649 153 D X H X S+ 0 0 26 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.935 109.0 48.6 -66.9 -46.3 39.4 59.8 23.1 650 154 D V H X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.889 111.0 53.0 -58.9 -39.6 41.6 59.9 19.9 651 155 D E H X S+ 0 0 125 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.943 110.9 44.0 -62.0 -46.3 40.1 63.3 19.1 652 156 D R H < S+ 0 0 40 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.850 114.1 52.2 -71.7 -33.2 40.9 64.8 22.5 653 157 D T H < S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 96.8 62.8 -63.2 -43.7 44.4 63.2 22.3 654 158 D I H < 0 0 142 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.773 360.0 360.0 -55.0 -18.4 45.1 64.7 18.9 655 159 D E < 0 0 116 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.858 360.0 360.0 -99.7 360.0 44.7 67.8 21.0