==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-08 3D7R . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR R.LAM,K.P.BATTAILE,T.CHAN,V.ROMANOV,K.LAM,M.SOLOVEYCHIK,J.WU . 591 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.4 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 . 2 0.3 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 . 46 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 2 0 2 0 0 0 0 0 2 2 5 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 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 . 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9 A S > 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 143.5 20.9 20.8 14.1 2 10 A V H > + 0 0 32 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.857 360.0 57.9 -59.3 -35.8 22.0 19.3 10.8 3 11 A V H 4 S+ 0 0 8 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.938 111.3 40.4 -62.7 -47.2 24.1 16.7 12.7 4 12 A N H >4 S+ 0 0 108 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.857 110.3 58.2 -71.2 -34.9 21.1 15.4 14.6 5 13 A K H 3< S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 120.7 27.9 -61.5 -39.1 18.7 15.6 11.6 6 14 A Y T 3< S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.139 90.9 154.4-111.1 20.6 20.9 13.2 9.6 7 15 A L < - 0 0 72 -3,-0.8 2,-0.5 -4,-0.1 3,-0.1 -0.153 27.0-166.8 -56.1 131.7 22.4 11.3 12.5 8 16 A L > - 0 0 70 1,-0.1 3,-1.7 -5,-0.1 4,-0.3 -0.969 6.6-162.0-116.9 112.3 23.7 7.8 12.0 9 17 A H G > S+ 0 0 162 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.856 88.9 64.1 -58.1 -36.9 24.3 6.1 15.4 10 18 A N G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.427 104.1 47.8 -71.6 2.3 26.5 3.4 13.7 11 19 A R G < S+ 0 0 52 -3,-1.7 -1,-0.3 70,-0.1 -2,-0.2 0.343 84.6 118.3-115.6 0.2 29.0 6.2 12.7 12 20 A S < - 0 0 46 -3,-1.7 183,-0.1 -4,-0.3 182,-0.1 -0.468 38.0-176.8 -74.1 137.6 29.2 7.9 16.1 13 21 A I + 0 0 2 181,-0.5 2,-2.3 -2,-0.2 186,-0.2 0.058 45.7 122.7-114.8 22.4 32.6 8.0 17.8 14 22 A X - 0 0 77 179,-0.1 2,-0.1 185,-0.1 -2,-0.1 -0.391 45.9-179.1 -80.8 62.5 31.2 9.7 21.0 15 23 A F - 0 0 23 -2,-2.3 184,-0.1 1,-0.1 183,-0.1 -0.410 24.9-158.3 -73.3 139.9 32.5 6.8 23.2 16 24 A K - 0 0 159 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.815 67.4 -26.3 -80.9 -32.2 31.8 7.1 26.9 17 25 A N S > S- 0 0 57 1,-0.0 4,-1.6 181,-0.0 3,-0.2 -0.876 81.1 -66.5-168.1-177.1 34.6 4.7 28.1 18 26 A D H > S+ 0 0 85 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.868 124.3 60.2 -62.7 -34.8 36.9 1.8 27.2 19 27 A Q H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 104.5 47.9 -63.4 -43.5 33.9 -0.6 27.0 20 28 A D H > S+ 0 0 23 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 111.4 52.6 -60.9 -38.8 32.2 1.5 24.2 21 29 A V H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.938 109.5 47.5 -63.8 -48.3 35.6 1.5 22.4 22 30 A E H X S+ 0 0 125 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.929 111.9 50.1 -58.2 -47.9 35.9 -2.3 22.6 23 31 A R H X S+ 0 0 152 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 110.6 50.7 -59.3 -41.1 32.3 -2.8 21.4 24 32 A F H X S+ 0 0 19 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.944 111.4 46.7 -59.8 -52.2 33.0 -0.4 18.5 25 33 A F H X S+ 0 0 27 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.897 111.6 52.1 -59.0 -44.1 36.2 -2.4 17.5 26 34 A Y H X S+ 0 0 161 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.952 113.9 43.4 -54.2 -53.0 34.3 -5.7 17.8 27 35 A K H X S+ 0 0 85 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.912 114.2 49.7 -58.5 -46.8 31.5 -4.4 15.5 28 36 A R H X S+ 0 0 19 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.881 103.4 58.9 -68.5 -36.9 33.9 -2.8 13.0 29 37 A E H X S+ 0 0 74 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.937 114.3 38.5 -52.3 -46.6 36.1 -5.9 12.6 30 38 A I H >X S+ 0 0 67 -4,-1.3 3,-0.6 -5,-0.2 4,-0.6 0.915 118.8 46.1 -71.4 -47.8 33.0 -7.8 11.5 31 39 A E H >< S+ 0 0 65 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.859 106.8 58.3 -67.0 -38.0 31.4 -5.0 9.3 32 40 A N H 3< S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.723 98.3 59.8 -68.3 -23.6 34.6 -4.1 7.6 33 41 A R H << S+ 0 0 141 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.725 87.7 93.7 -74.3 -22.9 35.2 -7.6 6.2 34 42 A K S << S- 0 0 111 -3,-0.9 2,-0.2 -4,-0.6 3,-0.0 -0.365 92.6 -95.9 -72.8 148.2 31.8 -7.5 4.3 35 43 A K - 0 0 130 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.440 42.5-121.8 -62.2 129.9 31.7 -6.3 0.7 36 44 A H - 0 0 26 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.606 34.4-167.6 -76.2 135.4 30.9 -2.6 0.6 37 45 A K - 0 0 166 -2,-0.3 3,-0.1 -3,-0.0 -3,-0.0 -0.915 26.9-101.8-126.0 146.8 27.7 -1.9 -1.4 38 46 A Q - 0 0 60 -2,-0.3 2,-0.0 1,-0.1 -1,-0.0 -0.330 59.1 -85.6 -56.6 147.6 26.0 1.2 -2.8 39 47 A P > - 0 0 26 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.382 36.3-131.3 -57.8 136.1 23.0 2.3 -0.6 40 48 A S T 3 S+ 0 0 123 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.741 103.0 41.5 -62.7 -24.0 20.0 0.3 -1.7 41 49 A T T 3 S+ 0 0 134 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.560 90.0 105.7-103.1 -8.8 17.7 3.4 -1.9 42 50 A L < - 0 0 43 -3,-0.8 2,-0.8 1,-0.0 -4,-0.0 -0.604 59.8-146.3 -83.6 123.1 20.2 5.9 -3.5 43 51 A N - 0 0 124 -2,-0.4 2,-0.6 2,-0.0 -2,-0.1 -0.798 15.8-155.8 -80.7 109.4 19.8 6.9 -7.1 44 52 A V - 0 0 21 -2,-0.8 4,-0.1 1,-0.2 45,-0.1 -0.828 6.4-166.5 -88.0 119.7 23.4 7.4 -8.3 45 53 A K + 0 0 126 -2,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.848 65.9 73.7 -80.7 -34.4 23.2 9.8 -11.3 46 54 A A S S- 0 0 5 1,-0.1 2,-0.3 17,-0.1 17,-0.2 -0.329 98.4 -97.2 -70.3 158.5 26.8 9.2 -12.5 47 55 A N E -A 62 0A 95 15,-3.2 15,-2.5 -2,-0.0 2,-0.4 -0.650 44.1-142.4 -73.0 138.8 27.6 6.0 -14.2 48 56 A L E -A 61 0A 44 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.900 14.8-163.8-115.5 130.9 29.2 3.5 -11.8 49 57 A E E -A 60 0A 71 11,-3.2 11,-2.3 -2,-0.4 2,-1.0 -0.949 8.1-157.0-110.6 124.5 32.0 1.1 -12.3 50 58 A K E +A 59 0A 138 -2,-0.5 9,-0.2 9,-0.2 2,-0.2 -0.816 34.0 157.5-105.7 94.6 32.4 -1.6 -9.6 51 59 A L E -A 58 0A 73 7,-2.8 7,-2.7 -2,-1.0 2,-0.3 -0.506 30.3-143.8-112.1 176.0 36.0 -2.7 -9.9 52 60 A S E -A 57 0A 82 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.980 4.1-162.6-139.3 155.3 38.7 -4.3 -7.9 53 61 A L E > S-A 56 0A 31 3,-2.4 3,-2.1 -2,-0.3 72,-0.1 -0.935 84.8 -24.1-136.7 109.6 42.5 -4.0 -7.5 54 62 A D T 3 S- 0 0 115 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.916 127.9 -49.3 53.3 47.8 44.2 -6.9 -5.9 55 63 A D T 3 S+ 0 0 144 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.336 112.8 121.6 73.0 -8.9 41.0 -7.9 -4.1 56 64 A X E < -A 53 0A 19 -3,-2.1 -3,-2.4 65,-0.0 2,-0.3 -0.752 68.3-118.8 -80.2 132.7 40.4 -4.3 -2.8 57 65 A Q E -A 52 0A 36 -2,-0.4 49,-3.0 49,-0.3 2,-0.4 -0.547 32.7-176.1 -67.5 130.8 37.0 -2.9 -4.0 58 66 A V E -AB 51 105A 1 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.4 -0.984 6.5-163.0-129.2 120.1 37.4 0.2 -6.1 59 67 A F E -AB 50 104A 6 45,-2.5 45,-3.3 -2,-0.4 2,-0.4 -0.822 4.0-162.5 -96.4 141.2 34.3 2.1 -7.3 60 68 A R E -AB 49 103A 11 -11,-2.3 -11,-3.2 -2,-0.4 2,-0.4 -0.992 1.7-163.9-123.2 135.6 34.5 4.7 -10.2 61 69 A F E +AB 48 102A 0 41,-2.7 41,-2.1 -2,-0.4 2,-0.3 -0.959 15.9 165.9-111.6 133.4 31.9 7.3 -10.9 62 70 A N E -A 47 0A 9 -15,-2.5 -15,-3.2 -2,-0.4 2,-0.4 -0.987 18.9-153.2-144.2 158.1 31.8 9.1 -14.2 63 71 A F S > S- 0 0 43 3,-0.4 3,-2.0 -2,-0.3 -17,-0.1 -0.982 74.8 -2.3-132.6 137.8 29.3 11.3 -16.0 64 72 A R T 3 S- 0 0 179 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.810 122.3 -67.1 51.4 36.6 28.8 11.9 -19.8 65 73 A H T 3 S+ 0 0 165 1,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.709 89.6 154.4 61.8 22.9 31.8 9.6 -20.6 66 74 A Q < + 0 0 74 -3,-2.0 -3,-0.4 1,-0.2 -1,-0.2 -0.709 10.2 131.9 -89.7 105.6 34.2 12.1 -19.0 67 75 A I + 0 0 79 -2,-1.0 -1,-0.2 -3,-0.1 33,-0.1 0.398 33.7 99.7-135.7 -0.1 37.2 10.1 -17.8 68 76 A D S S+ 0 0 88 32,-0.0 2,-0.4 1,-0.0 32,-0.1 0.660 88.9 46.5 -66.8 -16.6 40.4 11.9 -19.0 69 77 A K S S- 0 0 47 30,-0.2 32,-3.0 2,-0.0 2,-0.4 -0.977 75.9-156.1-129.2 142.2 40.8 13.4 -15.6 70 78 A K E -cd 101 138A 4 67,-2.9 69,-2.6 -2,-0.4 2,-0.5 -0.913 14.4-157.4-121.4 145.4 40.6 11.6 -12.2 71 79 A I E -cd 102 139A 0 30,-2.7 32,-3.4 -2,-0.4 2,-0.9 -0.986 15.8-151.3-112.1 115.9 39.9 12.5 -8.6 72 80 A L E -cd 103 140A 0 67,-3.0 69,-2.6 -2,-0.5 2,-0.6 -0.807 21.0-157.3 -80.8 109.0 41.3 9.9 -6.2 73 81 A Y E - d 0 141A 0 30,-3.0 2,-0.7 -2,-0.9 69,-0.2 -0.828 13.6-165.3-101.6 120.3 38.9 10.2 -3.3 74 82 A I E - d 0 142A 0 67,-3.1 69,-1.3 -2,-0.6 76,-0.2 -0.871 22.7-141.9-104.5 105.5 39.9 9.1 0.2 75 83 A H - 0 0 0 -2,-0.7 4,-0.2 30,-0.3 74,-0.1 -0.274 9.5-119.3 -75.7 149.0 36.8 8.8 2.3 76 84 A G + 0 0 2 69,-0.1 68,-0.2 1,-0.1 8,-0.1 -0.185 59.8 117.3 -73.8 173.0 36.5 9.8 6.0 77 85 A G S >> S- 0 0 6 66,-0.1 4,-2.7 6,-0.1 3,-1.9 0.493 88.1 -91.2 137.7 16.1 35.5 7.5 8.8 78 86 A F T 34 S- 0 0 15 1,-0.3 -2,-0.1 2,-0.2 32,-0.1 0.615 73.3 -73.0 64.2 19.9 38.6 7.5 11.1 79 87 A N T 34 S+ 0 0 0 2,-0.2 31,-3.5 -4,-0.2 -1,-0.3 0.668 134.5 73.1 66.1 22.0 40.1 4.4 9.3 80 88 A A T <4 S+ 0 0 0 -3,-1.9 2,-0.3 29,-0.2 -2,-0.2 0.549 82.7 66.3-130.6 -34.6 37.4 2.3 11.0 81 89 A L S < S- 0 0 2 -4,-2.7 -2,-0.2 -70,-0.1 -1,-0.1 -0.719 72.3-133.5 -94.5 147.8 34.2 3.2 9.2 82 90 A Q - 0 0 19 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.312 54.2 -56.7 -84.2 175.3 33.4 2.4 5.6 83 91 A P - 0 0 7 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 -0.310 55.2-125.3 -58.9 140.2 31.8 5.1 3.3 84 92 A S >> - 0 0 5 -8,-0.1 4,-1.5 1,-0.1 3,-0.8 -0.428 21.8-115.3 -71.1 154.0 28.6 6.7 4.5 85 93 A P H 3> S+ 0 0 54 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.805 122.6 58.6 -59.0 -27.2 25.6 6.7 2.2 86 94 A F H 3> S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.714 99.1 56.9 -72.5 -25.9 26.1 10.5 2.3 87 95 A H H <> S+ 0 0 2 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.896 104.8 51.8 -67.3 -42.8 29.6 9.9 0.9 88 96 A W H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.943 112.4 46.0 -55.9 -45.1 28.1 8.1 -2.0 89 97 A R H X S+ 0 0 90 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.903 111.8 50.0 -68.2 -42.5 25.8 11.1 -2.6 90 98 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 111.2 49.1 -59.9 -47.3 28.6 13.7 -2.2 91 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.889 108.3 53.7 -62.8 -41.3 30.9 11.8 -4.7 92 100 A D H X S+ 0 0 9 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.961 110.9 46.9 -54.6 -51.6 28.0 11.6 -7.2 93 101 A K H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.880 111.5 50.0 -58.3 -44.2 27.6 15.4 -7.0 94 102 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.890 109.6 52.3 -63.8 -41.3 31.3 16.1 -7.3 95 103 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.951 112.4 44.7 -55.9 -51.3 31.4 13.8 -10.4 96 104 A L H < S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 118.6 43.6 -66.9 -32.2 28.6 15.7 -12.1 97 105 A S H < S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.856 124.6 30.1 -80.0 -39.5 30.0 19.1 -11.1 98 106 A T H < S- 0 0 9 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.740 88.8-140.0 -90.7 -26.1 33.7 18.6 -12.0 99 107 A L < + 0 0 58 -4,-2.2 2,-0.3 -5,-0.4 -30,-0.2 0.787 59.6 130.1 55.6 30.9 33.3 16.1 -14.8 100 108 A Y S S- 0 0 7 -6,-0.4 2,-0.6 -5,-0.2 -1,-0.3 -0.757 70.1-107.2 -91.7 155.1 36.3 14.2 -13.5 101 109 A E E - c 0 70A 3 -32,-3.0 -30,-2.7 -2,-0.3 2,-0.5 -0.781 35.5-143.2 -79.4 121.7 36.1 10.5 -12.9 102 110 A V E -Bc 61 71A 0 -41,-2.1 -41,-2.7 -2,-0.6 2,-0.6 -0.772 11.0-157.0 -93.3 127.3 35.9 10.0 -9.1 103 111 A V E -Bc 60 72A 0 -32,-3.4 -30,-3.0 -2,-0.5 -43,-0.2 -0.922 6.9-169.9-112.9 120.2 37.7 6.9 -7.8 104 112 A L E -B 59 0A 0 -45,-3.3 -45,-2.5 -2,-0.6 2,-0.3 -0.842 3.4-168.4-114.9 90.4 36.7 5.5 -4.5 105 113 A P E -B 58 0A 0 0, 0.0 2,-1.4 0, 0.0 -30,-0.3 -0.635 20.9-140.5 -74.5 131.5 39.0 2.8 -3.1 106 114 A I - 0 0 15 -49,-3.0 -49,-0.3 -2,-0.3 3,-0.1 -0.705 36.4-165.1 -89.6 81.2 37.7 0.8 -0.1 107 115 A Y - 0 0 2 -2,-1.4 11,-0.1 1,-0.2 12,-0.1 -0.240 30.7 -73.0 -73.8 155.0 41.1 0.9 1.6 108 116 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.206 55.2-153.6 -52.6 137.5 42.0 -1.4 4.5 109 117 A K > - 0 0 6 -3,-0.1 4,-2.3 -29,-0.1 3,-0.4 -0.837 12.8 -88.8-115.9 150.0 40.4 -0.5 7.8 110 118 A T T 4 S+ 0 0 0 -31,-3.5 4,-0.1 -2,-0.3 97,-0.1 -0.502 93.8 49.2 -76.3 159.2 41.2 -0.9 11.5 111 119 A P T 4 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 -31,-0.1 -0.986 128.9 31.7 -81.4 -12.0 40.8 -2.6 13.9 112 120 A E T 4 S+ 0 0 74 -3,-0.4 -2,-0.2 -87,-0.1 2,-0.2 0.902 124.2 41.5 -73.0 -41.7 42.0 -5.6 11.6 113 121 A F S < S- 0 0 83 -4,-2.3 2,-0.2 2,-0.0 96,-0.1 -0.662 72.6-151.6-109.3 166.5 44.4 -3.5 9.5 114 122 A H >> - 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0 0 79 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.391 23.6-122.4 -62.9 143.8 53.0 7.7 18.2 213 221 A L T 3 S+ 0 0 18 1,-0.3 -36,-0.5 5,-0.1 -35,-0.2 0.723 112.0 63.5 -58.1 -22.3 50.0 9.8 17.1 214 222 A T T 3 S+ 0 0 83 4,-0.1 -1,-0.3 -37,-0.1 8,-0.1 0.583 71.9 121.5 -81.2 -11.6 52.4 12.6 16.5 215 223 A D S X> S- 0 0 42 -3,-2.1 4,-2.8 1,-0.2 3,-1.6 -0.302 73.2-125.0 -48.8 131.5 54.2 10.7 13.7 216 224 A K T 34 S+ 0 0 96 1,-0.3 7,-0.3 2,-0.2 -1,-0.2 0.727 108.9 61.4 -59.4 -23.8 53.9 12.8 10.6 217 225 A R T 34 S+ 0 0 84 1,-0.1 -1,-0.3 2,-0.1 -65,-0.1 0.807 115.1 34.2 -72.2 -25.6 52.3 9.9 8.7 218 226 A I T <4 S+ 0 0 3 -3,-1.6 -2,-0.2 1,-0.3 -1,-0.1 0.832 130.8 32.5 -91.5 -43.0 49.4 9.9 11.2 219 227 A S S >< S- 0 0 0 -4,-2.8 3,-2.3 -43,-0.1 -1,-0.3 -0.827 71.6-174.0-118.1 84.7 49.3 13.7 11.9 220 228 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -44,-0.1 0.579 73.0 84.0 -64.5 -9.4 50.4 15.2 8.5 221 229 A I G 3 S+ 0 0 7 -46,-2.0 -45,-0.1 1,-0.3 -5,-0.1 0.804 95.2 48.8 -55.8 -26.2 50.4 18.7 10.1 222 230 A N G < S+ 0 0 91 -3,-2.3 -1,-0.3 -47,-0.3 -6,-0.2 0.386 101.3 94.1 -92.3 0.2 53.9 17.5 11.1 223 231 A G S < S- 0 0 11 -3,-2.0 2,-0.1 -7,-0.3 -71,-0.1 -0.087 88.5 -53.5 -89.8-173.8 54.8 16.3 7.5 224 232 A T + 0 0 43 1,-0.2 -1,-0.2 -72,-0.1 -66,-0.1 -0.354 48.0 167.5 -64.5 135.4 56.6 17.8 4.5 225 233 A I > + 0 0 9 -3,-0.1 3,-1.9 -2,-0.1 2,-0.2 0.716 50.2 88.0-113.1 -50.3 55.3 21.2 3.3 226 234 A E T 3 S+ 0 0 123 1,-0.2 30,-0.1 31,-0.1 31,-0.0 -0.411 97.4 19.7 -60.6 121.4 57.9 22.4 0.8 227 235 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.335 85.9 144.3 99.8 -3.6 57.2 21.1 -2.7 228 236 A L < - 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0 0 44 -2,-0.2 4,-2.1 -4,-0.1 3,-0.7 -0.660 36.9 -74.3-136.5 178.9 57.6 35.7 50.4 412 123 B I H 3> S+ 0 0 6 92,-2.2 4,-2.5 1,-0.2 5,-0.2 0.843 123.3 48.6 -47.9 -49.0 55.8 32.4 50.3 413 124 B D H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 111.1 51.6 -64.2 -36.3 53.3 33.2 47.4 414 125 B D H <> S+ 0 0 60 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.925 111.3 48.1 -61.5 -47.1 56.2 34.6 45.2 415 126 B T H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.944 113.7 45.0 -59.8 -52.3 58.2 31.4 45.8 416 127 B F H X S+ 0 0 17 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.852 111.1 52.3 -65.6 -36.5 55.3 29.0 45.0 417 128 B Q H X S+ 0 0 107 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.893 109.3 50.4 -67.6 -37.8 54.1 30.9 41.9 418 129 B A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.920 109.9 49.5 -64.4 -44.9 57.6 30.9 40.4 419 130 B I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 108.8 54.0 -60.3 -41.4 57.9 27.1 41.0 420 131 B Q H X S+ 0 0 39 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.914 107.0 52.3 -55.7 -46.2 54.5 26.6 39.3 421 132 B R H X S+ 0 0 91 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.906 111.1 43.9 -60.7 -46.2 55.7 28.5 36.2 422 133 B V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 113.7 51.9 -70.0 -37.6 58.9 26.5 35.7 423 134 B Y H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.943 109.8 48.8 -58.7 -47.6 56.9 23.2 36.3 424 135 B D H X S+ 0 0 72 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.906 110.0 53.2 -59.9 -42.3 54.3 24.2 33.7 425 136 B Q H X S+ 0 0 50 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.921 111.7 44.2 -54.6 -51.4 57.2 25.0 31.3 426 137 B L H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.5 0.925 111.8 52.5 -63.8 -45.5 58.7 21.6 31.7 427 138 B V H X5S+ 0 0 31 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.896 107.1 53.0 -57.1 -40.4 55.4 19.8 31.5 428 139 B S H <5S+ 0 0 98 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.823 111.3 49.3 -65.4 -29.4 54.6 21.6 28.2 429 140 B E H <5S- 0 0 84 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.921 135.9 -3.4 -74.1 -47.9 58.0 20.3 26.9 430 141 B V H <5S- 0 0 32 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.461 102.6-100.4-132.1 -5.6 57.9 16.6 27.7 431 142 B G ><< - 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0 0 82 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.509 56.8 -86.0 -77.8 148.2 47.1 19.5 38.0 460 171 B P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.329 53.6-134.6 -51.0 130.5 49.0 16.8 36.2 461 172 B L - 0 0 40 1,-0.1 -26,-0.2 -3,-0.1 -10,-0.0 -0.592 14.0-104.5 -95.2 151.6 51.4 15.3 38.7 462 173 B P - 0 0 2 0, 0.0 -26,-0.2 0, 0.0 -29,-0.2 -0.318 31.9-115.6 -67.6 162.2 55.2 14.4 38.3 463 174 B N S S+ 0 0 44 -28,-2.4 2,-0.3 -31,-0.8 -27,-0.2 0.852 93.0 2.7 -67.9 -34.9 56.0 10.7 37.8 464 175 B K E -l 436 0B 1 -29,-0.5 -27,-2.1 62,-0.1 2,-0.4 -0.969 62.0-140.9-150.3 158.9 57.9 10.7 41.1 465 176 B L E -lm 437 528B 0 62,-2.2 64,-2.4 -2,-0.3 2,-0.5 -0.992 14.6-163.3-129.9 121.0 58.8 12.9 44.0 466 177 B Y E -lm 438 529B 0 -29,-3.1 -27,-1.4 -2,-0.4 2,-0.5 -0.919 3.9-169.3-109.9 129.0 62.3 12.9 45.7 467 178 B L E -lm 439 530B 0 62,-2.8 64,-2.8 -2,-0.5 2,-0.6 -0.978 4.4-167.3-122.9 118.8 62.9 14.4 49.1 468 179 B I E S-lm 440 531B 2 -29,-2.8 -27,-2.7 -2,-0.5 -24,-0.3 -0.934 76.9 -32.0-108.0 115.8 66.4 14.9 50.6 469 180 B S S S- 0 0 0 62,-3.8 -1,-0.2 -2,-0.6 -25,-0.2 0.891 85.8-160.6 39.7 55.0 66.4 15.7 54.3 470 181 B P - 0 0 0 0, 0.0 2,-1.4 0, 0.0 -28,-0.2 -0.313 21.0-134.0 -68.0 140.7 63.0 17.5 54.0 471 182 B I + 0 0 8 -30,-1.5 3,-0.1 1,-0.2 47,-0.1 -0.722 35.3 173.0 -89.3 82.6 62.1 20.0 56.7 472 183 B L + 0 0 0 -2,-1.4 46,-1.9 1,-0.2 2,-0.5 0.742 67.2 36.5 -68.6 -29.0 58.6 18.6 56.9 473 184 B D > - 0 0 20 -3,-0.2 3,-1.1 44,-0.1 -1,-0.2 -0.957 67.8-162.0-129.0 109.4 57.5 20.6 60.0 474 185 B A T 3 S+ 0 0 0 36,-0.5 27,-0.2 -2,-0.5 37,-0.1 0.641 88.5 63.6 -66.4 -16.3 59.0 24.2 60.1 475 186 B T T 3 S- 0 0 21 35,-0.2 -1,-0.2 26,-0.1 23,-0.1 0.782 84.2-155.0 -75.3 -27.4 58.2 24.4 63.8 476 187 B L < + 0 0 5 -3,-1.1 -2,-0.1 1,-0.1 18,-0.1 0.876 52.6 129.8 47.4 43.9 60.7 21.6 64.7 477 188 B S + 0 0 72 17,-0.0 -1,-0.1 3,-0.0 4,-0.1 0.425 18.0 139.9-107.1 -3.6 58.5 21.1 67.8 478 189 B N > - 0 0 26 1,-0.2 3,-2.0 -5,-0.1 63,-0.1 -0.179 52.4-139.7 -43.9 122.5 58.0 17.4 67.5 479 190 B K T 3 S+ 0 0 173 1,-0.3 -1,-0.2 61,-0.1 -2,-0.0 0.672 97.4 70.6 -71.4 -12.5 58.3 16.1 71.1 480 191 B D T 3 S+ 0 0 101 2,-0.1 2,-1.0 1,-0.0 -1,-0.3 0.467 71.6 103.3 -79.0 -0.8 60.3 13.0 69.9 481 192 B I < - 0 0 20 -3,-2.0 2,-0.1 -4,-0.1 56,-0.1 -0.756 65.4-160.8 -79.0 105.8 63.2 15.4 69.1 482 193 B S > - 0 0 58 -2,-1.0 4,-2.5 1,-0.1 5,-0.1 -0.419 32.3-113.0 -87.3 163.8 65.4 14.7 72.1 483 194 B D H > S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 120.5 59.6 -56.7 -41.5 68.2 16.8 73.6 484 195 B A H > S+ 0 0 68 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.907 107.8 42.6 -51.1 -49.6 70.5 13.9 72.4 485 196 B L H >> S+ 0 0 21 2,-0.2 3,-1.0 1,-0.2 4,-0.8 0.911 111.7 54.6 -66.8 -42.7 69.3 14.4 68.7 486 197 B I H >< S+ 0 0 67 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.932 106.8 52.0 -54.9 -44.9 69.6 18.2 69.1 487 198 B E H 3< S+ 0 0 149 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.653 107.2 53.5 -67.8 -16.2 73.2 17.7 70.3 488 199 B Q H << S+ 0 0 91 -3,-1.0 2,-0.9 -4,-0.6 -1,-0.2 0.615 91.2 83.6 -90.4 -13.2 74.0 15.6 67.2 489 200 B D << + 0 0 9 -3,-1.1 47,-0.1 -4,-0.8 -1,-0.1 -0.799 44.6 169.6-100.7 102.9 72.7 18.2 64.6 490 201 B A S S+ 0 0 54 -2,-0.9 -1,-0.1 45,-0.2 -179,-0.1 0.220 76.7 47.8 -95.3 15.0 75.4 20.8 63.9 491 202 B V S S+ 0 0 32 1,-0.1 -181,-0.5 -182,-0.1 2,-0.2 0.746 97.2 62.6-118.2 -53.7 73.4 22.2 60.9 492 203 B L - 0 0 4 -183,-0.1 2,-0.4 -181,-0.1 -1,-0.1 -0.484 53.9-171.6 -82.2 147.9 69.8 22.9 61.9 493 204 B S > - 0 0 19 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.993 21.1-147.7-133.7 130.4 68.7 25.3 64.6 494 205 B Q H > S+ 0 0 84 -2,-0.4 4,-3.1 2,-0.2 5,-0.2 0.963 106.0 46.7 -58.6 -50.3 65.0 25.4 65.8 495 206 B F H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 114.6 47.3 -54.4 -50.1 65.5 29.2 66.5 496 207 B G H > S+ 0 0 0 -186,-0.2 4,-2.4 2,-0.2 5,-0.3 0.955 115.4 43.7 -59.3 -53.0 67.1 29.7 63.0 497 208 B V H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.938 115.3 49.2 -58.5 -49.2 64.5 27.7 61.1 498 209 B N H X S+ 0 0 26 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.936 113.8 44.9 -55.8 -50.0 61.6 29.3 63.0 499 210 B E H X S+ 0 0 48 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.907 115.8 44.9 -69.4 -41.8 62.9 32.9 62.5 500 211 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.951 115.2 47.8 -63.7 -48.7 63.7 32.5 58.8 501 212 B X H X S+ 0 0 9 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.847 107.9 55.7 -64.3 -35.8 60.5 30.7 58.0 502 213 B K H X>S+ 0 0 110 -4,-2.3 4,-1.1 -5,-0.3 5,-0.6 0.902 108.2 48.9 -58.1 -44.2 58.4 33.3 59.9 503 214 B K H ><5S+ 0 0 92 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.950 115.5 42.7 -61.3 -50.2 59.9 36.0 57.7 504 215 B W H 3<5S+ 0 0 1 -4,-2.1 -92,-2.2 1,-0.2 -2,-0.2 0.870 107.6 60.4 -63.6 -41.1 59.2 34.1 54.5 505 216 B A H ><5S- 0 0 2 -4,-2.9 3,-1.5 -94,-0.2 -1,-0.2 0.695 90.2-153.6 -64.1 -24.3 55.7 33.1 55.7 506 217 B N T <<5S- 0 0 111 -4,-1.1 -3,-0.1 -3,-0.5 -2,-0.1 0.844 73.8 -27.3 55.6 40.9 54.7 36.8 55.9 507 218 B G T 3 - 0 0 76 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.350 21.3-122.7 -65.6 146.9 51.4 30.4 60.8 510 221 B L T 3 S+ 0 0 17 1,-0.3 -36,-0.5 5,-0.1 -35,-0.2 0.712 111.1 64.7 -61.8 -21.5 54.3 27.9 60.5 511 222 B T T 3 S+ 0 0 85 -37,-0.1 -1,-0.3 4,-0.1 8,-0.1 0.581 72.9 120.4 -77.0 -12.3 51.8 25.1 61.0 512 223 B D S X> S- 0 0 43 -3,-2.1 4,-2.9 1,-0.1 3,-1.6 -0.304 72.8-126.6 -53.4 135.9 50.1 26.0 57.7 513 224 B K T 34 S+ 0 0 97 1,-0.3 7,-0.2 2,-0.2 -1,-0.1 0.725 108.7 61.7 -65.3 -21.7 50.4 22.9 55.4 514 225 B R T 34 S+ 0 0 87 1,-0.1 -1,-0.3 5,-0.1 -65,-0.1 0.784 115.9 33.0 -71.0 -26.6 51.9 25.0 52.6 515 226 B I T <4 S+ 0 0 2 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.832 130.8 32.8 -92.8 -42.5 54.9 25.7 55.0 516 227 B S S >< S- 0 0 0 -4,-2.9 3,-2.3 -43,-0.1 -1,-0.2 -0.838 71.2-172.5-118.3 85.2 54.9 22.4 56.9 517 228 B P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -44,-0.1 0.579 73.4 83.3 -64.2 -10.1 53.8 19.9 54.3 518 229 B I G 3 S+ 0 0 7 -46,-1.9 -45,-0.1 1,-0.3 -5,-0.1 0.793 94.3 50.2 -55.1 -27.7 53.6 17.1 57.0 519 230 B N G < S+ 0 0 89 -3,-2.3 -1,-0.3 -47,-0.3 -6,-0.2 0.359 101.4 91.4 -91.4 2.6 50.2 18.6 57.6 520 231 B G S < S- 0 0 12 -3,-1.9 2,-0.1 -7,-0.2 -71,-0.1 -0.193 89.2 -51.9 -94.0-176.6 49.2 18.6 53.8 521 232 B T + 0 0 41 1,-0.1 -1,-0.2 -72,-0.1 -66,-0.1 -0.323 47.3 167.6 -60.3 132.5 47.5 16.2 51.4 522 233 B I > + 0 0 11 -3,-0.1 3,-1.7 3,-0.1 2,-0.3 0.710 51.2 86.2-110.0 -47.5 48.8 12.6 51.4 523 234 B E T 3 S+ 0 0 124 1,-0.2 30,-0.1 31,-0.1 31,-0.0 -0.450 96.8 21.0 -68.0 121.7 46.2 10.6 49.5 524 235 B G T 3 S+ 0 0 39 -2,-0.3 -1,-0.2 1,-0.3 -3,-0.0 0.369 85.8 142.5 103.3 -3.3 46.8 10.7 45.7 525 236 B L < - 0 0 10 -3,-1.7 -1,-0.3 1,-0.1 30,-0.2 -0.282 54.0-114.9 -64.1 151.1 50.5 11.6 45.9 526 237 B P - 0 0 14 0, 0.0 -62,-0.1 0, 0.0 -63,-0.1 -0.388 59.1 -60.2 -76.0 172.2 52.8 10.1 43.3 527 238 B P - 0 0 16 0, 0.0 -62,-2.2 0, 0.0 2,-0.4 -0.254 58.4-147.7 -54.9 137.8 55.5 7.7 44.7 528 239 B V E -mn 465 556B 0 27,-2.1 29,-2.2 -64,-0.2 2,-0.5 -0.883 13.3-167.8-114.2 139.9 57.9 9.4 47.1 529 240 B Y E -mn 466 557B 4 -64,-2.4 -62,-2.8 -2,-0.4 2,-0.4 -0.995 15.2-171.2-127.7 118.1 61.6 8.5 47.7 530 241 B X E -mn 467 558B 0 27,-3.3 29,-3.2 -2,-0.5 2,-0.4 -0.932 10.8-169.2-121.6 139.0 63.1 10.1 50.7 531 242 B F E +mn 468 559B 0 -64,-2.8 -62,-3.8 -2,-0.4 2,-0.3 -0.966 23.0 140.8-123.1 139.0 66.7 10.3 51.9 532 243 B G E - n 0 560B 0 27,-1.9 29,-2.9 -2,-0.4 2,-0.3 -0.984 38.1-111.4-165.2 173.3 67.8 11.4 55.3 533 244 B G E > - n 0 561B 0 -2,-0.3 3,-0.7 27,-0.2 32,-0.1 -0.748 17.8-130.9-114.4 160.1 70.2 11.0 58.2 534 245 B G T 3 S+ 0 0 23 27,-2.3 29,-0.2 -2,-0.3 31,-0.1 0.646 104.3 63.2 -80.0 -15.2 69.8 9.8 61.8 535 246 B R T 3 S+ 0 0 88 29,-2.2 31,-0.4 26,-0.4 2,-0.4 0.056 83.9 91.2-102.0 26.8 71.8 12.8 63.1 536 247 B E S X S- 0 0 0 -3,-0.7 3,-2.3 29,-0.2 -50,-0.1 -0.958 77.7-127.6-122.4 144.2 69.4 15.5 61.9 537 248 B X T 3 S+ 0 0 7 -2,-0.4 4,-0.3 1,-0.3 -51,-0.1 0.612 105.1 68.5 -67.2 -12.2 66.6 17.0 64.0 538 249 B T T 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.468 72.5 95.7 -79.9 -4.7 64.1 16.3 61.2 539 250 B H H <> S+ 0 0 39 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 0.901 79.4 50.2 -63.6 -45.6 64.4 12.6 61.7 540 251 B P H > S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.924 113.2 48.7 -54.6 -42.6 61.3 12.1 63.9 541 252 B D H > S+ 0 0 3 -4,-0.3 4,-3.1 2,-0.2 5,-0.2 0.899 109.4 52.1 -63.7 -39.7 59.2 14.1 61.4 542 253 B X H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.931 112.2 45.6 -60.2 -44.9 60.6 12.0 58.5 543 254 B K H X S+ 0 0 73 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.894 113.9 49.3 -65.9 -41.5 59.7 8.8 60.3 544 255 B L H X S+ 0 0 69 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.917 112.1 48.2 -61.0 -46.7 56.2 10.2 61.2 545 256 B F H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.935 110.7 51.2 -58.6 -47.0 55.6 11.2 57.6 546 257 B E H X S+ 0 0 29 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.904 111.9 47.4 -57.6 -42.7 56.7 7.8 56.3 547 258 B Q H X S+ 0 0 99 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.934 112.4 48.0 -68.1 -46.5 54.3 6.1 58.8 548 259 B X H X S+ 0 0 51 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.896 111.8 50.9 -58.3 -45.7 51.3 8.4 57.9 549 260 B X H ><>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.2 3,-0.5 0.957 113.1 44.6 -55.0 -52.8 52.0 7.8 54.1 550 261 B L H ><5S+ 0 0 91 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.879 108.2 57.3 -65.4 -38.5 52.1 4.0 54.5 551 262 B Q H 3<5S+ 0 0 135 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.819 108.7 48.6 -54.0 -34.2 49.0 4.0 56.7 552 263 B H T <<5S- 0 0 76 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.119 121.5-109.0 -97.1 19.6 47.3 5.8 53.8 553 264 B H T < 5 + 0 0 177 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.803 68.8 148.2 61.2 32.8 48.5 3.2 51.3 554 265 B Q < - 0 0 29 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.887 51.0-117.9-102.3 127.6 50.9 5.7 49.7 555 266 B Y + 0 0 103 -2,-0.5 -27,-2.1 -30,-0.2 2,-0.3 -0.428 45.4 158.5 -63.6 123.8 54.2 4.4 48.2 556 267 B I E -n 528 0B 14 -2,-0.2 2,-0.5 -29,-0.2 -27,-0.2 -0.969 25.5-162.0-146.2 133.0 57.2 5.8 50.0 557 268 B E E -n 529 0B 42 -29,-2.2 -27,-3.3 -2,-0.3 2,-0.6 -0.983 11.2-162.7-109.2 128.9 60.8 4.5 50.2 558 269 B F E -n 530 0B 27 -2,-0.5 2,-0.9 -29,-0.2 -27,-0.2 -0.949 7.3-162.8-117.1 112.8 62.9 5.9 53.0 559 270 B Y E -n 531 0B 55 -29,-3.2 -27,-1.9 -2,-0.6 2,-0.6 -0.860 19.4-171.0 -93.6 101.6 66.6 5.5 52.7 560 271 B D E -n 532 0B 56 -2,-0.9 -27,-0.2 -29,-0.2 -29,-0.1 -0.888 12.8-163.5-109.6 112.0 67.6 6.3 56.3 561 272 B Y E > -n 533 0B 22 -29,-2.9 -27,-2.3 -2,-0.6 3,-1.7 -0.824 7.9-156.0 -99.1 102.7 71.3 6.6 57.0 562 273 B P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -29,-0.1 0.784 89.0 36.3 -53.8 -32.3 71.7 6.3 60.8 563 274 B K T 3 S+ 0 0 127 -29,-0.2 2,-0.2 -30,-0.1 -30,-0.1 0.445 92.3 110.5-102.9 1.1 75.0 8.3 61.0 564 275 B X < - 0 0 24 -3,-1.7 -29,-2.2 -32,-0.2 -28,-0.1 -0.470 58.4-130.6 -84.8 152.2 74.5 10.9 58.4 565 276 B V > - 0 0 23 1,-0.2 3,-1.6 -2,-0.2 -29,-0.2 -0.281 46.0 -59.9 -89.6 172.6 74.0 14.7 59.0 566 277 B H T 3 S- 0 0 5 -31,-0.4 -1,-0.2 1,-0.3 -34,-0.1 -0.300 122.9 -0.6 -51.3 129.7 71.3 17.1 57.7 567 278 B D T > S+ 0 0 15 -36,-0.1 3,-2.2 1,-0.1 4,-0.3 0.753 82.4 169.8 65.6 28.3 71.4 17.3 53.9 568 279 B F G X + 0 0 0 -3,-1.6 3,-2.0 1,-0.3 5,-0.2 0.703 60.2 71.9 -53.9 -30.6 74.3 14.8 53.7 569 280 B P G 3 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.703 86.5 67.4 -60.5 -18.2 74.3 14.2 49.9 570 281 B I G < S+ 0 0 24 -3,-2.2 -2,-0.2 2,-0.1 -183,-0.1 0.699 86.8 85.5 -68.5 -20.5 75.7 17.7 49.4 571 282 B Y S < S- 0 0 21 -3,-2.0 2,-1.9 -4,-0.3 5,-0.2 -0.597 89.1-120.4 -85.6 143.5 79.0 16.6 51.0 572 283 B P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.490 69.7 123.3 -86.4 72.3 81.6 14.9 48.8 573 284 B I S >> S- 0 0 35 -2,-1.9 4,-1.4 -5,-0.2 3,-1.0 -0.858 76.8-102.9-128.9 160.3 81.6 11.6 50.8 574 285 B R H 3> S+ 0 0 220 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.841 117.8 58.7 -52.9 -39.1 81.0 7.9 49.9 575 286 B Q H 3> S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 101.9 54.5 -64.5 -32.7 77.5 7.9 51.4 576 287 B S H <> S+ 0 0 4 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.906 108.0 49.3 -64.6 -43.9 76.4 10.8 49.1 577 288 B H H X S+ 0 0 93 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.910 109.6 52.3 -63.8 -39.1 77.6 8.7 46.1 578 289 B K H X S+ 0 0 123 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 110.2 47.9 -59.5 -46.0 75.6 5.7 47.5 579 290 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.884 110.5 51.6 -62.9 -40.7 72.4 7.9 47.8 580 291 B I H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.936 108.9 50.9 -61.5 -45.2 72.9 9.2 44.2 581 292 B K H X S+ 0 0 155 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.896 108.9 51.6 -58.3 -41.3 73.2 5.6 43.0 582 293 B Q H X S+ 0 0 38 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.838 109.3 49.9 -64.6 -35.0 70.0 4.8 44.8 583 294 B I H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 3,-0.5 0.956 112.8 47.7 -63.3 -47.6 68.3 7.8 43.1 584 295 B A H X S+ 0 0 31 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.882 111.7 49.1 -62.1 -40.5 69.6 6.5 39.7 585 296 B K H < S+ 0 0 182 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.763 119.9 36.7 -72.1 -24.4 68.5 2.9 40.4 586 297 B S H >< S+ 0 0 6 -4,-1.1 3,-1.5 -3,-0.5 -2,-0.2 0.728 95.3 79.2 -99.1 -23.4 64.9 4.0 41.4 587 298 B I H 3< S+ 0 0 1 -4,-2.2 -2,-0.1 1,-0.3 -3,-0.1 0.768 96.7 44.7 -65.8 -29.5 64.1 6.9 39.1 588 299 B D T 3< S+ 0 0 103 -4,-0.5 -1,-0.3 2,-0.1 -2,-0.1 0.418 81.2 130.8 -94.6 2.0 63.2 4.8 36.0 589 300 B E < - 0 0 82 -3,-1.5 2,-0.2 1,-0.1 -3,-0.1 -0.320 68.5-109.6 -56.1 128.0 61.1 2.3 37.9 590 301 B D - 0 0 142 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.469 33.9-124.9 -60.4 125.8 57.7 1.8 36.2 591 302 B V 0 0 54 -2,-0.2 -1,-0.1 -3,-0.1 -127,-0.0 -0.655 360.0 360.0 -80.4 127.2 55.0 3.3 38.5 592 303 B T 0 0 182 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 -0.698 360.0 360.0 -81.4 360.0 52.1 1.0 39.5