==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-SEP-07 2REM . COMPND 2 MOLECULE: DISULFIDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR F.C.RINALDI,B.G.GUIMARAES . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 6.8 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 3 3 0 0 0 6 0 3 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 0 0 3 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 4 3 3 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 . 1 0 0 0 3 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 4 A H 0 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.5 44.3 10.1 30.0 2 5 A L - 0 0 127 1,-0.1 6,-0.1 177,-0.0 174,-0.1 -0.537 360.0 -88.3 -65.2 138.2 46.0 7.6 27.7 3 6 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.200 45.2-151.5 -50.1 140.8 43.5 5.8 25.5 4 7 A V >>> - 0 0 42 -3,-0.1 4,-3.1 254,-0.0 3,-2.0 -0.944 21.2-107.3-121.3 133.3 42.1 2.7 27.2 5 8 A V B 345S+a 9 0A 23 -2,-0.4 5,-0.2 1,-0.3 251,-0.1 -0.309 107.6 23.4 -58.7 145.3 40.8 -0.3 25.3 6 9 A G T 345S+ 0 0 3 3,-2.7 339,-0.4 1,-0.1 -1,-0.3 0.263 128.0 50.4 76.8 -13.1 37.1 -0.6 25.4 7 10 A E T <45S+ 0 0 61 -3,-2.0 -2,-0.2 2,-0.4 -1,-0.1 0.691 126.1 14.0-112.5 -51.6 36.7 3.2 26.1 8 11 A D T <5S- 0 0 12 -4,-3.1 158,-3.0 1,-0.3 2,-0.3 0.630 134.6 -2.0-104.9 -21.2 38.8 4.9 23.5 9 12 A Y E < -aB 5 165A 17 -5,-1.0 -3,-2.7 156,-0.3 -2,-0.4 -0.966 60.9-141.6-159.1 162.7 39.4 2.1 21.0 10 13 A V E - B 0 164A 8 154,-2.4 154,-2.9 -2,-0.3 2,-0.5 -0.914 23.2-115.7-127.1 160.6 38.6 -1.6 20.6 11 14 A E E - B 0 163A 94 -2,-0.3 152,-0.2 152,-0.2 151,-0.1 -0.836 21.4-134.5 -99.4 131.7 40.7 -4.4 19.2 12 15 A I > - 0 0 1 150,-2.8 3,-1.8 -2,-0.5 137,-0.1 -0.747 27.1-121.6 -84.4 117.2 39.6 -6.1 16.1 13 16 A P T 3 S- 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.376 93.8 -2.4 -63.4 133.7 39.9 -9.9 16.5 14 17 A D T 3 S- 0 0 143 1,-0.2 148,-0.1 -2,-0.0 134,-0.0 0.785 97.5-174.2 57.9 29.6 42.1 -11.4 13.9 15 18 A G < - 0 0 24 -3,-1.8 -1,-0.2 147,-0.1 147,-0.2 -0.269 11.7-170.5 -64.2 141.2 42.4 -7.9 12.4 16 19 A R - 0 0 168 145,-0.3 145,-0.1 -3,-0.1 132,-0.0 -0.987 27.3-108.5-131.0 139.6 44.2 -7.4 9.2 17 20 A P - 0 0 30 0, 0.0 142,-0.1 0, 0.0 144,-0.0 -0.236 30.8-111.0 -64.6 159.1 45.2 -4.1 7.6 18 21 A F S S+ 0 0 67 1,-0.1 127,-0.0 2,-0.1 3,-0.0 0.855 105.0 10.3 -56.1 -39.4 43.3 -3.0 4.6 19 22 A A S S- 0 0 36 1,-0.0 -1,-0.1 0, 0.0 7,-0.1 -0.957 107.1 -75.3-133.4 155.1 46.5 -3.5 2.6 20 23 A P - 0 0 111 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.197 41.5-133.6 -50.1 140.9 49.8 -5.2 3.6 21 24 A L > - 0 0 48 139,-0.1 3,-1.9 2,-0.1 4,-0.0 0.921 23.0-172.0 -67.9 -45.5 51.7 -2.8 6.0 22 25 A A T 3 S- 0 0 90 1,-0.3 3,-0.1 2,-0.0 -1,-0.0 0.940 82.0 -39.4 51.3 55.5 55.2 -3.2 4.3 23 26 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 165,-0.0 2,-0.1 0.167 120.2 116.2 79.9 -14.8 56.9 -1.2 7.1 24 27 A K < - 0 0 79 -3,-1.9 2,-0.7 -4,-0.1 -1,-0.2 -0.383 66.2-131.0 -88.9 158.3 54.0 1.2 7.3 25 28 A I E -c 56 0A 8 30,-3.9 32,-2.8 -2,-0.1 2,-0.5 -0.952 31.8-145.5-101.3 114.5 51.4 2.1 10.0 26 29 A E E -c 57 0A 0 -2,-0.7 134,-3.1 30,-0.2 2,-0.5 -0.695 17.7-174.7 -87.3 128.9 48.1 2.0 8.2 27 30 A V E -cD 58 159A 0 30,-2.8 32,-2.7 -2,-0.5 2,-0.4 -0.968 9.3-171.5-121.0 112.1 45.5 4.5 9.3 28 31 A V E -cD 59 158A 0 130,-3.1 130,-2.7 -2,-0.5 2,-0.6 -0.840 13.5-158.2-101.4 136.5 42.2 3.9 7.6 29 32 A E E -cD 60 157A 0 30,-2.2 32,-2.8 -2,-0.4 2,-0.6 -0.983 9.1-154.2-105.8 117.2 39.2 6.2 7.8 30 33 A I E +cD 61 156A 1 126,-3.2 126,-2.2 -2,-0.6 2,-0.3 -0.816 34.6 160.7 -83.1 119.6 36.0 4.4 7.0 31 34 A F E -c 62 0A 0 30,-1.9 32,-3.2 -2,-0.6 2,-0.4 -0.915 33.5-148.4-136.3 162.1 33.8 7.2 5.7 32 35 A G > - 0 0 6 -2,-0.3 3,-1.4 30,-0.2 6,-0.2 -0.997 18.1-139.4-130.0 140.4 30.7 7.8 3.6 33 36 A Y T 3 S+ 0 0 0 -2,-0.4 64,-0.1 1,-0.2 6,-0.1 0.812 107.4 58.5 -57.6 -30.1 30.0 10.8 1.5 34 37 A T T 3 S+ 0 0 14 35,-0.1 -1,-0.2 34,-0.1 3,-0.1 0.568 85.9 96.2 -77.4 -10.1 26.4 10.6 2.8 35 38 A C <> - 0 0 8 -3,-1.4 4,-2.0 1,-0.2 5,-0.1 -0.726 60.0-160.4 -88.4 116.4 27.6 11.0 6.3 36 39 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.841 94.2 57.3 -67.1 -27.2 27.5 14.6 7.6 37 40 A H H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.935 106.8 48.8 -63.1 -44.7 30.0 13.6 10.4 38 41 A C H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 110.0 51.6 -58.8 -44.2 32.4 12.5 7.7 39 42 A A H < S+ 0 0 21 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.906 113.4 44.7 -57.6 -42.2 31.8 15.8 5.8 40 43 A H H < S+ 0 0 110 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.814 115.5 47.2 -74.8 -31.7 32.6 17.7 9.0 41 44 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.734 89.1 85.4 -80.0 -25.6 35.6 15.7 9.9 42 45 A D H X S+ 0 0 4 -4,-1.6 4,-3.4 1,-0.3 5,-0.3 0.853 87.6 48.1 -57.7 -43.2 37.3 15.7 6.6 43 46 A S H > S+ 0 0 84 -4,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.915 116.1 44.5 -63.0 -43.4 39.2 18.9 6.8 44 47 A K H > S+ 0 0 88 -4,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.898 116.5 48.4 -63.6 -40.9 40.5 18.1 10.3 45 48 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.897 110.5 49.2 -68.6 -42.1 41.3 14.6 9.1 46 49 A Q H X S+ 0 0 76 -4,-3.4 4,-2.2 -5,-0.3 -1,-0.2 0.919 111.1 50.2 -66.2 -39.2 43.1 15.7 5.9 47 50 A A H X S+ 0 0 47 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.923 111.3 48.9 -61.7 -45.5 45.2 18.2 7.9 48 51 A W H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.929 108.8 54.0 -57.3 -46.6 46.1 15.4 10.3 49 52 A G H >< S+ 0 0 19 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.899 107.6 49.9 -55.0 -42.4 47.0 13.2 7.3 50 53 A A H 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.718 106.1 57.2 -71.9 -23.7 49.4 15.8 6.0 51 54 A R T << S+ 0 0 159 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.509 86.7 109.1 -80.3 -8.8 51.0 16.1 9.4 52 55 A Q S < S- 0 0 43 -3,-1.2 6,-0.0 -4,-0.5 -3,-0.0 -0.385 72.9-108.3 -80.6 150.1 52.0 12.4 9.6 53 56 A A > - 0 0 55 1,-0.1 3,-1.7 -2,-0.1 -1,-0.1 -0.152 39.5-100.6 -62.4 166.5 55.4 10.9 9.3 54 57 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.725 118.2 67.7 -69.2 -23.1 56.3 8.9 6.2 55 58 A D T 3 S+ 0 0 47 -31,-0.1 -30,-3.9 2,-0.0 2,-0.5 0.546 83.3 93.1 -73.5 -8.0 55.7 5.5 7.9 56 59 A V E < -c 25 0A 17 -3,-1.7 2,-0.7 -32,-0.2 -30,-0.2 -0.784 58.8-165.4 -85.9 123.9 52.0 6.4 8.1 57 60 A R E -c 26 0A 62 -32,-2.8 -30,-2.8 -2,-0.5 2,-0.6 -0.935 10.1-162.9-104.5 107.3 49.9 5.2 5.2 58 61 A F E +c 27 0A 51 -2,-0.7 2,-0.4 -32,-0.2 -30,-0.2 -0.821 13.9 179.6 -96.0 123.3 46.6 7.1 5.5 59 62 A T E -c 28 0A 33 -32,-2.7 -30,-2.2 -2,-0.6 2,-0.4 -0.972 24.0-140.7-132.0 133.4 43.8 5.4 3.4 60 63 A L E -c 29 0A 24 -2,-0.4 -30,-0.2 -32,-0.2 -32,-0.1 -0.810 17.9-174.2 -88.6 134.9 40.2 6.2 2.8 61 64 A V E -c 30 0A 0 -32,-2.8 -30,-1.9 -2,-0.4 2,-0.1 -0.981 22.0-131.6-128.5 119.1 37.9 3.3 2.8 62 65 A P E -c 31 0A 3 0, 0.0 2,-0.6 0, 0.0 -30,-0.2 -0.428 25.1-110.5 -72.7 144.8 34.3 4.0 1.8 63 66 A A - 0 0 1 -32,-3.2 2,-1.1 -2,-0.1 10,-0.2 -0.670 23.7-164.6 -74.3 115.7 31.6 2.6 4.0 64 67 A V + 0 0 11 -2,-0.6 3,-0.1 78,-0.3 6,-0.1 -0.787 34.5 145.6-100.6 83.2 29.7 -0.2 2.2 65 68 A F - 0 0 70 -2,-1.1 -1,-0.2 1,-0.4 3,-0.1 0.315 57.3-110.3-109.3 4.5 26.8 -0.2 4.6 66 69 A G S > S+ 0 0 25 1,-0.2 3,-1.7 -3,-0.1 4,-0.5 -0.304 81.4 42.3 92.1 179.1 24.0 -0.9 2.2 67 70 A G T > S- 0 0 69 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 -0.093 126.7 -2.7 46.1-129.5 21.2 1.3 1.0 68 71 A V T 3> S+ 0 0 40 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.720 127.1 67.1 -67.5 -23.6 22.3 4.9 0.2 69 72 A W H <> S+ 0 0 63 -3,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.850 90.1 64.3 -63.7 -35.9 25.9 4.3 1.3 70 73 A D H <> S+ 0 0 38 -3,-1.0 4,-2.7 -4,-0.5 5,-0.2 0.898 96.9 49.7 -68.8 -47.1 26.7 1.9 -1.6 71 74 A P H > S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 115.4 47.4 -53.6 -38.5 26.3 4.2 -4.6 72 75 A F H X S+ 0 0 2 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.803 108.5 52.9 -76.6 -28.2 28.5 6.7 -2.9 73 76 A A H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 113.0 45.3 -63.4 -46.7 31.1 4.0 -1.9 74 77 A R H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.885 109.9 55.3 -65.3 -38.2 31.1 3.1 -5.6 75 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.944 109.1 47.6 -55.5 -53.6 31.3 6.8 -6.5 76 79 A Y H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 113.6 46.9 -53.6 -51.0 34.4 7.2 -4.3 77 80 A L H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.905 112.5 48.4 -62.1 -44.9 36.1 4.1 -5.7 78 81 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.934 112.7 50.1 -59.3 -45.0 35.4 5.0 -9.4 79 82 A A H <>S+ 0 0 0 -4,-2.8 5,-3.0 -5,-0.2 6,-0.9 0.904 112.3 47.8 -58.0 -42.9 36.7 8.6 -8.6 80 83 A D H ><5S+ 0 0 50 -4,-2.6 3,-1.2 4,-0.2 -2,-0.2 0.928 110.2 49.9 -66.8 -46.8 39.8 7.0 -7.1 81 84 A V H 3<5S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.4 48.8 -53.3 -38.6 40.3 4.6 -10.0 82 85 A L T 3<5S- 0 0 35 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.505 115.1-118.9 -85.5 -3.9 40.0 7.7 -12.3 83 86 A G T < 5S+ 0 0 55 -3,-1.2 -3,-0.2 -4,-0.5 4,-0.2 0.735 90.5 98.8 75.8 23.5 42.5 9.7 -10.2 84 87 A V >< + 0 0 6 -5,-3.0 4,-1.2 -6,-0.2 -4,-0.2 0.279 47.9 95.0-122.0 7.8 39.9 12.4 -9.3 85 88 A A H >> S+ 0 0 1 -6,-0.9 4,-1.2 2,-0.2 3,-0.6 0.966 86.7 46.9 -64.9 -51.9 38.9 11.3 -5.8 86 89 A K H 34 S+ 0 0 183 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.896 115.1 45.6 -59.8 -43.6 41.4 13.5 -3.9 87 90 A R H 34 S+ 0 0 161 1,-0.2 -1,-0.2 -4,-0.2 4,-0.2 0.722 122.2 36.4 -73.8 -19.8 40.5 16.7 -6.0 88 91 A S H S+ 0 0 90 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.911 116.6 54.9 -59.1 -45.3 35.5 18.0 -0.3 91 94 A A H > S+ 0 0 18 -4,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.868 105.4 52.1 -59.9 -38.1 33.4 19.0 -3.3 92 95 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.952 111.1 46.7 -64.5 -48.4 31.4 15.8 -3.1 93 96 A F H X S+ 0 0 7 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.935 115.3 47.1 -54.1 -46.5 30.7 16.3 0.6 94 97 A E H X>S+ 0 0 73 -4,-2.9 4,-2.7 1,-0.2 5,-2.5 0.930 108.4 54.5 -63.2 -43.3 29.7 19.9 -0.2 95 98 A A H <>S+ 0 0 1 -4,-3.3 6,-1.7 3,-0.2 7,-1.4 0.876 118.8 35.4 -55.3 -41.6 27.5 18.9 -3.1 96 99 A I H <5S+ 0 0 15 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.938 129.9 27.9 -78.8 -49.7 25.6 16.5 -0.9 97 100 A H H <5S+ 0 0 54 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.681 133.7 19.1 -97.4 -19.2 25.5 18.3 2.4 98 101 A E T <5S+ 0 0 139 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.785 130.0 31.0-117.1 -55.7 25.7 22.0 1.6 99 102 A K T S+ 0 0 51 -8,-0.1 3,-1.1 -2,-0.1 2,-0.1 0.914 79.6 71.0 -81.2 -51.9 21.6 11.1 -1.4 105 108 A Q T 3 S- 0 0 125 1,-0.3 -1,-0.0 0, 0.0 -37,-0.0 -0.415 118.2 -10.2 -72.7 132.3 18.4 9.2 -2.3 106 109 A N T 3 S+ 0 0 145 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.692 84.1 170.2 56.9 26.6 18.2 7.3 -5.5 107 110 A V < - 0 0 13 -3,-1.1 -1,-0.2 -4,-0.1 -3,-0.0 -0.412 10.5-175.5 -63.2 143.0 21.5 8.8 -6.8 108 111 A G >> - 0 0 7 -2,-0.1 4,-2.4 -37,-0.0 3,-0.5 -0.838 42.6 -84.9-135.7 177.8 22.7 7.1 -9.9 109 112 A P H 3> S+ 0 0 44 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.748 121.7 57.8 -57.6 -25.7 25.6 7.0 -12.3 110 113 A D H 3> S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.920 108.1 42.0 -79.2 -35.5 24.1 9.8 -14.3 111 114 A E H <> S+ 0 0 63 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.888 120.3 48.0 -63.4 -39.3 24.0 12.4 -11.5 112 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.917 108.2 51.6 -71.9 -41.5 27.4 11.0 -10.6 113 116 A A H X S+ 0 0 7 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.894 108.9 52.1 -61.3 -37.7 28.8 11.2 -14.1 114 117 A V H X S+ 0 0 108 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.944 110.3 49.5 -63.8 -44.0 27.6 14.9 -14.3 115 118 A F H >< S+ 0 0 31 -4,-2.0 3,-1.4 1,-0.2 4,-0.2 0.949 114.5 42.3 -56.8 -53.8 29.4 15.6 -11.0 116 119 A Y H ><>S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 5,-1.8 0.752 98.4 74.2 -71.8 -22.1 32.7 14.0 -12.2 117 120 A A H ><5S+ 0 0 45 -4,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.814 89.0 63.2 -54.1 -29.0 32.3 15.6 -15.6 118 121 A G T <<5S+ 0 0 65 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.718 100.0 52.4 -69.2 -21.1 33.4 18.7 -13.7 119 122 A Y T < 5S- 0 0 62 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.095 128.6 -94.7-102.9 21.6 36.7 17.0 -12.9 120 123 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.6 1,-0.3 -3,-0.2 0.591 78.1 143.4 79.7 13.0 37.4 16.2 -16.6 121 124 A V < - 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0 0 1 -32,-3.1 2,-0.9 -2,-0.1 10,-0.2 -0.629 25.4-164.9 -77.0 121.1 33.4 -7.3 29.1 255 67 B V + 0 0 8 -2,-0.5 3,-0.1 78,-0.2 6,-0.1 -0.816 35.4 141.8-108.6 84.0 36.6 -9.3 28.6 256 68 B F - 0 0 38 -2,-0.9 -1,-0.2 1,-0.4 3,-0.1 0.329 60.1-113.1-110.8 0.5 38.6 -6.7 26.8 257 69 B G S > S+ 0 0 16 1,-0.2 3,-1.6 -3,-0.1 -1,-0.4 -0.328 80.7 51.6 89.6-176.6 42.0 -7.4 28.4 258 70 B G T > S- 0 0 66 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 -0.172 124.0 -5.9 48.3-132.3 43.9 -5.0 30.7 259 71 B V T 3> S+ 0 0 28 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.681 128.7 67.5 -68.1 -19.9 42.0 -3.7 33.6 260 72 B W H <> S+ 0 0 3 -3,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.787 88.4 64.7 -68.3 -33.1 38.8 -5.2 32.4 261 73 B D H <> S+ 0 0 25 -3,-1.3 4,-2.6 -4,-0.2 5,-0.2 0.907 96.7 49.8 -71.9 -46.3 39.8 -8.8 33.0 262 74 B P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 114.9 49.5 -52.8 -38.0 40.2 -9.0 36.8 263 75 B F H X S+ 0 0 3 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.802 107.1 51.8 -75.7 -28.5 36.8 -7.4 37.0 264 76 B A H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.929 113.2 46.6 -65.3 -48.0 35.2 -9.8 34.5 265 77 B R H X S+ 0 0 56 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.886 110.2 54.1 -60.6 -37.0 36.6 -12.6 36.7 266 78 B A H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.943 110.4 45.3 -61.3 -50.3 35.4 -10.8 39.8 267 79 B Y H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 116.0 46.5 -55.3 -49.3 31.8 -10.6 38.4 268 80 B L H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.902 113.5 47.9 -65.8 -43.6 32.0 -14.3 37.3 269 81 B A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.950 113.6 48.1 -58.6 -49.8 33.4 -15.5 40.6 270 82 B A H <>S+ 0 0 0 -4,-3.2 5,-2.7 -5,-0.2 6,-0.9 0.889 113.5 48.0 -58.3 -38.7 30.8 -13.4 42.5 271 83 B D H ><5S+ 0 0 45 -4,-2.5 3,-1.1 4,-0.2 -1,-0.2 0.904 109.5 51.1 -72.4 -41.4 28.1 -14.9 40.2 272 84 B V H 3<5S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.895 112.7 49.1 -57.2 -39.6 29.4 -18.5 40.7 273 85 B L T 3<5S- 0 0 38 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.432 116.3-116.6 -84.7 -1.6 29.2 -17.7 44.4 274 86 B G T < 5S+ 0 0 59 -3,-1.1 4,-0.2 -4,-0.3 -3,-0.2 0.558 93.0 94.0 84.7 10.4 25.7 -16.4 44.3 275 87 B V >< + 0 0 19 -5,-2.7 4,-1.6 -6,-0.2 -4,-0.2 0.322 49.5 95.1-118.1 5.0 26.6 -12.8 45.4 276 88 B A H > S+ 0 0 0 -6,-0.9 4,-1.0 2,-0.2 3,-0.2 0.952 88.0 46.1 -63.7 -50.9 27.1 -11.0 42.0 277 89 B K H >4 S+ 0 0 170 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.917 115.0 48.2 -60.7 -42.9 23.5 -9.5 41.8 278 90 B R H 34 S+ 0 0 202 1,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.790 120.4 36.4 -65.3 -33.2 23.6 -8.4 45.5 279 91 B S H 3X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.409 89.4 99.1-100.7 -1.5 27.0 -6.8 45.2 280 92 B H H S+ 0 0 56 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.920 116.0 54.6 -62.0 -44.0 25.8 -1.8 42.5 282 94 B A H > S+ 0 0 27 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.844 106.2 52.6 -61.6 -34.7 28.1 -1.7 45.5 283 95 B M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.950 109.7 47.4 -66.3 -48.0 31.0 -2.8 43.3 284 96 B F H X S+ 0 0 4 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.928 115.8 46.7 -51.8 -46.2 30.4 0.0 40.8 285 97 B E H X>S+ 0 0 69 -4,-2.6 5,-2.8 2,-0.2 4,-2.2 0.893 108.8 53.7 -68.1 -39.6 30.1 2.4 43.8 286 98 B A H <>S+ 0 0 2 -4,-2.7 7,-1.5 3,-0.2 6,-1.4 0.889 119.0 35.9 -62.9 -38.9 33.3 1.1 45.4 287 99 B I H <5S+ 0 0 18 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.956 129.0 29.0 -75.7 -52.5 35.2 1.7 42.2 288 100 B H H <5S+ 0 0 60 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.571 133.6 17.7 -96.5 -11.8 33.7 4.9 40.9 289 101 B E T <5S+ 0 0 149 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.679 129.6 33.4-124.1 -56.9 32.5 6.8 44.0 290 102 B K T + 0 0 41 -8,-0.1 3,-0.7 -2,-0.1 2,-0.4 0.718 69.7 82.2-108.1 -26.4 41.1 -0.8 39.2 296 108 B Q T 3 S- 0 0 126 1,-0.2 -38,-0.0 -38,-0.0 -37,-0.0 -0.658 111.9 -9.9 -81.5 130.3 44.9 -0.9 38.4 297 109 B N T 3 S+ 0 0 160 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.741 87.5 166.1 57.9 28.7 46.7 -4.1 39.4 298 110 B V < - 0 0 9 -3,-0.7 -1,-0.2 -39,-0.1 -3,-0.0 -0.526 14.1-169.0 -77.0 140.3 43.8 -5.4 41.3 299 111 B G >> - 0 0 28 -2,-0.2 4,-1.9 1,-0.0 3,-0.6 -0.790 37.5 -99.1-124.1 171.0 44.0 -9.0 42.2 300 112 B P H 3> S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 117.5 62.8 -64.6 -31.4 41.5 -11.5 43.7 301 113 B D H 3> S+ 0 0 114 2,-0.2 4,-0.9 1,-0.2 17,-0.1 0.914 107.1 43.4 -58.7 -42.2 42.9 -11.1 47.2 302 114 B E H X> S+ 0 0 98 -3,-0.6 3,-0.9 1,-0.2 4,-0.9 0.944 113.8 51.2 -67.1 -45.4 41.9 -7.4 47.3 303 115 B L H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 3,-0.5 0.821 98.9 66.6 -58.2 -33.9 38.6 -8.2 45.7 304 116 B A H 3X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.833 93.4 59.7 -59.6 -35.1 37.9 -10.8 48.4 305 117 B V H < S+ 0 0 34 -4,-0.9 3,-1.3 -3,-0.5 4,-0.3 0.941 113.6 47.6 -65.2 -47.5 34.9 -6.6 49.2 307 119 B Y H ><>S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 5,-1.4 0.780 96.9 72.5 -68.2 -24.6 33.1 -9.9 48.7 308 120 B A H ><5S+ 0 0 39 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.766 85.2 66.7 -57.2 -27.5 33.7 -10.8 52.4 309 121 B G T <<5S+ 0 0 72 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.748 99.2 53.2 -67.9 -19.6 31.0 -8.1 53.2 310 122 B Y T < 5S- 0 0 82 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.487 129.3 -99.0 -90.3 -3.6 28.6 -10.5 51.5 311 123 B G T < 5S+ 0 0 58 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.414 77.5 140.5 100.7 1.4 29.6 -13.4 53.7 312 124 B V < - 0 0 15 -5,-1.4 -1,-0.3 -8,-0.1 -2,-0.1 -0.657 55.5-123.5 -78.9 124.3 32.0 -15.0 51.2 313 125 B Q > - 0 0 137 -2,-0.5 4,-2.4 1,-0.1 3,-0.5 -0.470 19.6-126.4 -67.1 131.2 35.2 -16.3 52.8 314 126 B P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.899 109.5 50.3 -47.5 -45.9 38.2 -14.6 51.2 315 127 B D H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 110.2 51.3 -63.2 -34.5 39.9 -17.9 50.4 316 128 B R H > S+ 0 0 151 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.893 109.8 49.6 -64.2 -46.3 36.7 -19.2 48.8 317 129 B F H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.938 113.3 45.4 -59.4 -48.7 36.5 -16.1 46.7 318 130 B V H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 111.8 51.2 -63.9 -43.4 40.1 -16.4 45.5 319 131 B A H < S+ 0 0 63 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.894 114.5 45.3 -60.2 -37.8 39.8 -20.2 44.8 320 132 B T H >< S+ 0 0 17 -4,-2.1 3,-1.7 2,-0.2 6,-0.5 0.967 110.2 52.6 -68.7 -50.8 36.6 -19.4 42.8 321 133 B F H 3< S+ 0 0 12 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.862 118.0 39.2 -50.2 -41.2 38.2 -16.5 40.9 322 134 B N T 3< S+ 0 0 111 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.454 100.3 110.3 -89.0 -1.9 41.1 -18.8 40.0 323 135 B G S <> S- 0 0 14 -3,-1.7 4,-2.1 -4,-0.4 5,-0.1 -0.231 79.8-110.2 -84.2 164.9 38.9 -21.8 39.4 324 136 B P H > S+ 0 0 117 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.768 113.9 55.9 -57.9 -33.2 37.9 -23.8 36.2 325 137 B E H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 109.5 44.4 -70.7 -44.6 34.3 -22.6 36.4 326 138 B V H > S+ 0 0 0 -6,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.901 113.8 51.8 -64.1 -39.1 35.2 -18.9 36.3 327 139 B E H X S+ 0 0 65 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.919 110.0 48.5 -62.3 -45.8 37.7 -19.6 33.6 328 140 B K H X S+ 0 0 148 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.950 115.2 44.7 -55.2 -51.3 35.0 -21.4 31.5 329 141 B R H X S+ 0 0 81 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.857 111.0 54.7 -64.1 -37.2 32.6 -18.5 32.1 330 142 B F H X S+ 0 0 2 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.945 109.5 46.3 -60.8 -50.3 35.4 -16.0 31.3 331 143 B Q H X S+ 0 0 78 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.890 112.3 51.1 -60.0 -40.1 36.1 -17.7 28.0 332 144 B A H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 111.7 46.7 -66.3 -40.4 32.4 -17.8 27.2 333 145 B A H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -78,-0.2 0.927 113.6 48.9 -64.6 -46.0 32.1 -14.1 28.0 334 146 B R H X S+ 0 0 85 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.950 111.0 50.3 -55.7 -50.9 35.2 -13.4 25.9 335 147 B A H X S+ 0 0 55 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.873 109.3 52.2 -57.2 -39.9 33.7 -15.5 23.0 336 148 B Y H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.912 107.4 49.6 -64.3 -45.5 30.5 -13.5 23.2 337 149 B A H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.872 109.1 55.2 -59.5 -37.4 32.3 -10.2 23.0 338 150 B L H < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.7 41.1 -64.3 -36.3 34.1 -11.6 19.9 339 151 B K H < S+ 0 0 65 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.905 121.3 40.7 -74.9 -44.3 30.8 -12.4 18.3 340 152 B V H < S- 0 0 1 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.869 87.1-155.0 -76.0 -37.6 29.0 -9.2 19.3 341 153 B R < - 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0 0 12 -3,-0.6 -1,-0.2 -39,-0.1 -35,-0.0 -0.663 12.9-170.8 -82.2 139.3 1.4 2.2 -31.3 488 111 C G > - 0 0 26 -2,-0.3 4,-2.1 -37,-0.0 3,-0.4 -0.784 38.7 -97.7-122.9 171.1 1.2 5.1 -28.8 489 112 C P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.788 118.5 60.8 -61.9 -31.1 0.8 5.2 -25.0 490 113 C D H > S+ 0 0 118 2,-0.2 4,-0.9 1,-0.2 17,-0.1 0.930 108.9 42.0 -62.2 -45.4 -2.9 5.7 -25.1 491 114 C E H >> S+ 0 0 94 -3,-0.4 4,-1.0 1,-0.2 3,-0.8 0.925 115.3 49.9 -65.9 -45.9 -3.4 2.4 -26.9 492 115 C L H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.857 100.8 65.3 -57.2 -36.9 -0.9 0.7 -24.6 493 116 C A H 3X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.859 95.2 58.9 -56.2 -33.5 -2.7 2.2 -21.6 494 117 C V H < S+ 0 0 32 -4,-1.0 3,-0.9 -3,-0.3 4,-0.2 0.941 115.7 43.1 -54.8 -53.1 -3.5 -3.1 -22.2 496 119 C Y H ><>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 3,-1.4 0.714 99.7 70.6 -71.2 -22.5 -2.2 -1.9 -18.8 497 120 C A H ><5S+ 0 0 43 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.814 88.3 66.8 -60.2 -33.0 -5.7 -0.8 -17.6 498 121 C G T <<5S+ 0 0 69 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.781 99.6 50.5 -53.8 -28.9 -6.4 -4.6 -17.5 499 122 C Y T < 5S- 0 0 69 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.286 129.4 -96.0 -96.3 5.9 -3.9 -4.7 -14.6 500 123 C G T < 5S+ 0 0 67 -3,-1.8 2,-0.6 1,-0.3 -3,-0.2 0.560 77.1 144.9 90.3 11.2 -5.6 -1.8 -12.7 501 124 C V < - 0 0 14 -5,-1.8 -1,-0.3 -8,-0.1 -2,-0.1 -0.725 52.9-124.2 -83.5 122.1 -3.3 0.9 -14.1 502 125 C Q > - 0 0 135 -2,-0.6 4,-2.7 1,-0.1 3,-0.4 -0.468 14.9-134.3 -63.5 130.0 -5.1 4.2 -14.6 503 126 C P H > S+ 0 0 57 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.910 106.3 57.0 -55.1 -43.5 -4.5 5.2 -18.2 504 127 C D H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 110.2 43.5 -47.0 -51.0 -3.7 8.7 -17.0 505 128 C R H > S+ 0 0 157 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.889 112.5 53.8 -68.2 -39.3 -1.0 7.4 -14.8 506 129 C F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.939 111.5 43.2 -59.6 -49.4 0.3 5.1 -17.6 507 130 C V H X S+ 0 0 27 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.937 113.4 51.6 -64.3 -46.5 0.6 7.8 -20.2 508 131 C A H < S+ 0 0 60 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.910 114.6 43.9 -54.4 -45.9 2.2 10.2 -17.7 509 132 C T H >< S+ 0 0 23 -4,-2.5 3,-1.7 2,-0.2 6,-0.5 0.953 112.7 50.9 -63.6 -53.4 4.7 7.5 -16.7 510 133 C F H 3< S+ 0 0 12 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.890 119.7 36.8 -50.5 -46.4 5.4 6.5 -20.4 511 134 C N T 3< S+ 0 0 113 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.383 102.8 112.5 -85.4 2.0 6.0 10.1 -21.3 512 135 C G S <> S- 0 0 12 -3,-1.7 4,-1.9 -5,-0.2 5,-0.1 -0.254 78.6-113.0 -88.6 163.4 7.8 10.8 -18.0 513 136 C P H > S+ 0 0 117 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.803 112.8 56.7 -59.6 -35.3 11.4 11.6 -17.0 514 137 C E H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 109.0 44.7 -64.7 -48.7 12.0 8.4 -15.2 515 138 C V H > S+ 0 0 0 -6,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.919 112.9 52.2 -60.3 -41.8 11.1 6.2 -18.2 516 139 C E H X S+ 0 0 66 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.902 108.8 51.4 -61.3 -41.0 13.2 8.4 -20.4 517 140 C K H X S+ 0 0 67 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.957 115.0 41.0 -58.2 -51.7 16.1 7.9 -18.0 518 141 C R H X S+ 0 0 80 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.853 113.2 55.4 -65.6 -33.3 15.6 4.2 -18.1 519 142 C F H X S+ 0 0 10 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.935 109.2 46.1 -67.0 -47.4 15.1 4.3 -21.8 520 143 C Q H X S+ 0 0 68 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.888 112.4 51.1 -62.8 -41.5 18.4 6.1 -22.4 521 144 C A H X S+ 0 0 41 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 110.9 48.2 -59.2 -43.6 20.2 3.7 -20.0 522 145 C A H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -78,-0.2 0.921 113.3 48.0 -65.3 -42.1 18.7 0.8 -22.0 523 146 C R H X S+ 0 0 108 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.929 110.5 51.3 -61.0 -49.8 19.8 2.4 -25.3 524 147 C A H X S+ 0 0 56 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.874 110.0 50.2 -53.5 -43.1 23.3 3.1 -23.9 525 148 C Y H X S+ 0 0 14 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.920 110.2 48.7 -64.3 -45.4 23.6 -0.5 -22.9 526 149 C A H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.871 109.8 53.1 -61.4 -40.3 22.6 -1.8 -26.3 527 150 C L H < S+ 0 0 95 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.875 113.6 43.1 -62.3 -38.8 25.0 0.6 -27.9 528 151 C K H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.937 119.5 41.4 -72.4 -47.4 27.8 -0.8 -25.8 529 152 C V H < S- 0 0 9 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.835 89.1-154.5 -68.6 -34.6 26.8 -4.5 -26.2 530 153 C R < - 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