==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUN-09 3HSS . COMPND 2 MOLECULE: PUTATIVE BROMOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.M.JOHNSTON,E.N.BAKER . 535 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 0 3 1 0 0 2 0 4 3 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 5 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 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 1 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 -12 A N 0 0 194 0, 0.0 2,-0.2 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 92.1 58.2 2.3 16.2 2 -11 A L E +A 19 0A 82 17,-0.6 17,-2.2 19,-0.0 2,-0.3 -0.539 360.0 176.9 -91.6 149.6 57.5 1.4 19.8 3 -10 A Y E -A 18 0A 126 15,-0.3 2,-0.3 -2,-0.2 15,-0.2 -0.962 10.2-160.8-143.7 150.2 57.5 -2.1 21.4 4 -9 A F E -A 17 0A 6 13,-2.1 13,-2.7 -2,-0.3 2,-0.5 -0.931 32.9 -98.8-128.7 158.9 57.0 -3.4 24.9 5 -8 A Q E -A 16 0A 126 -2,-0.3 11,-0.2 11,-0.2 83,-0.1 -0.668 37.3-145.7 -80.3 120.8 57.9 -6.7 26.4 6 -7 A G E - 0 0 3 9,-2.7 75,-0.1 -2,-0.5 3,-0.1 -0.230 31.1 -82.9 -76.0 170.3 55.0 -9.2 26.6 7 -6 A A E - 0 0 22 70,-0.4 8,-0.5 1,-0.1 2,-0.3 -0.251 51.9 -91.8 -67.3 159.9 54.5 -11.7 29.4 8 -5 A M E -A 14 0A 117 6,-0.2 6,-0.2 -3,-0.1 -1,-0.1 -0.601 47.9-134.4 -69.4 134.3 56.3 -15.0 29.3 9 -4 A D > - 0 0 9 4,-2.7 3,-2.3 -2,-0.3 64,-0.1 -0.297 26.4 -94.9 -89.6 173.0 54.0 -17.5 27.7 10 -3 A P T 3 S+ 0 0 63 0, 0.0 63,-0.1 0, 0.0 -1,-0.1 0.572 126.5 57.9 -69.7 -5.9 53.2 -21.1 28.9 11 -2 A E T 3 S- 0 0 77 2,-0.1 62,-0.1 61,-0.1 -2,-0.0 0.093 121.1-109.4-103.2 16.0 55.9 -22.4 26.6 12 -1 A F S < S+ 0 0 166 -3,-2.3 2,-0.3 1,-0.2 -4,-0.1 0.668 73.4 134.9 70.3 22.6 58.5 -20.2 28.4 13 0 A R - 0 0 109 -6,-0.1 -4,-2.7 2,-0.0 2,-0.5 -0.793 42.1-153.3-102.7 144.2 59.0 -17.7 25.5 14 1 A V E +A 8 0A 66 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.978 19.7 177.7-116.5 125.5 59.1 -13.9 25.8 15 2 A I E - 0 0 44 -8,-0.5 -9,-2.7 -2,-0.5 2,-0.3 -0.838 25.9-117.1-122.9 164.3 58.1 -11.8 22.8 16 3 A N E -A 5 0A 93 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.738 21.3-152.6 -98.9 148.9 57.7 -8.1 22.1 17 4 A L E -A 4 0A 2 -13,-2.7 -13,-2.1 -2,-0.3 2,-0.2 -0.970 17.3-122.2-122.8 135.2 54.4 -6.4 21.1 18 5 A A E +A 3 0A 24 -2,-0.4 42,-2.6 42,-0.2 2,-0.3 -0.528 34.7 176.5 -74.1 138.9 54.1 -3.3 18.9 19 6 A Y E -AB 2 59A 39 -17,-2.2 -17,-0.6 40,-0.2 2,-0.3 -0.941 21.7-145.4-138.9 167.9 52.3 -0.3 20.4 20 7 A D E - B 0 58A 53 38,-2.7 38,-1.8 -2,-0.3 2,-0.4 -0.957 10.5-166.9-130.9 142.3 51.4 3.4 19.5 21 8 A D E + B 0 57A 41 -2,-0.3 2,-0.4 36,-0.2 36,-0.2 -0.956 13.5 170.8-141.4 112.1 51.3 6.2 22.0 22 9 A N E + B 0 56A 57 34,-2.3 34,-2.7 -2,-0.4 -2,-0.0 -0.981 40.2 17.2-130.8 136.5 49.7 9.6 20.9 23 10 A G - 0 0 41 -2,-0.4 32,-0.2 32,-0.2 27,-0.0 -0.082 61.7-116.4 94.2 170.1 48.8 12.6 22.9 24 11 A T S S+ 0 0 148 30,-0.2 31,-0.2 26,-0.1 -1,-0.1 0.467 77.2 88.6-126.2 -9.1 49.8 14.0 26.3 25 12 A G S S- 0 0 26 1,-0.2 29,-0.3 29,-0.2 28,-0.1 0.388 91.9 -25.3 -76.7-152.1 46.5 14.0 28.3 26 13 A D E S-c 54 0A 82 27,-1.3 29,-2.3 1,-0.1 -1,-0.2 -0.447 78.1-114.5 -65.5 124.9 44.7 11.5 30.5 27 14 A P E -c 55 0A 35 0, 0.0 68,-1.4 0, 0.0 2,-0.4 -0.399 33.6-176.7 -71.6 135.1 45.9 8.0 29.4 28 15 A V E -cd 56 95A 0 27,-2.7 29,-2.9 -2,-0.2 2,-0.5 -0.995 12.6-153.7-127.3 126.9 43.4 5.6 27.8 29 16 A V E -cd 57 96A 0 66,-2.7 68,-2.5 -2,-0.4 2,-0.4 -0.893 11.6-155.2-101.2 126.7 44.5 2.0 26.8 30 17 A F E - d 0 97A 1 27,-2.7 2,-0.5 -2,-0.5 29,-0.3 -0.830 4.6-163.5-101.5 133.7 42.4 0.6 23.9 31 18 A I E - d 0 98A 0 66,-3.1 68,-1.8 -2,-0.4 71,-0.1 -0.957 12.5-147.2-122.8 112.3 42.2 -3.2 23.6 32 19 A A - 0 0 1 -2,-0.5 3,-0.1 27,-0.3 6,-0.1 -0.270 16.6-111.7 -73.1 164.5 41.0 -4.5 20.2 33 20 A G > - 0 0 12 1,-0.2 3,-2.6 68,-0.2 67,-0.1 -0.146 58.5 -46.3 -85.8-177.4 38.9 -7.6 19.6 34 21 A R T 3 S+ 0 0 86 1,-0.3 -1,-0.2 162,-0.1 3,-0.1 -0.203 129.5 8.7 -53.8 134.3 39.9 -10.9 17.9 35 22 A G T 3 S+ 0 0 16 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.314 100.6 126.0 78.4 -10.7 41.7 -10.3 14.6 36 23 A G < - 0 0 12 -3,-2.6 25,-0.5 151,-0.1 -1,-0.2 -0.688 47.6-151.1 -90.6 133.0 41.9 -6.5 15.3 37 24 A A > - 0 0 28 -2,-0.4 3,-1.8 23,-0.1 4,-0.2 -0.486 36.0-102.4 -85.4 165.7 45.2 -4.6 15.2 38 25 A G G > S+ 0 0 2 1,-0.3 3,-1.9 -2,-0.2 4,-0.2 0.829 119.3 70.0 -55.2 -33.5 45.8 -1.5 17.3 39 26 A R G > S+ 0 0 146 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.699 77.5 81.2 -63.0 -14.0 45.2 0.6 14.1 40 27 A T G < S+ 0 0 20 -3,-1.8 4,-0.4 1,-0.3 -1,-0.3 0.761 90.5 52.3 -63.5 -21.3 41.5 -0.5 14.2 41 28 A W G <>>S+ 0 0 1 -3,-1.9 5,-2.6 -4,-0.2 4,-1.4 0.559 93.5 75.8 -87.9 -13.3 41.0 2.3 16.8 42 29 A H T <45S+ 0 0 30 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.817 84.9 56.1 -76.2 -31.7 42.5 5.0 14.7 43 30 A P T 45S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.908 129.9 3.3 -66.4 -38.4 39.8 5.8 12.1 44 31 A H T 45S+ 0 0 60 -4,-0.4 4,-0.4 3,-0.1 -2,-0.2 0.708 130.9 38.8-120.8 -30.2 37.1 6.6 14.6 45 32 A Q T X5S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 3,-0.3 0.917 105.4 56.3 -94.5 -51.6 38.2 6.5 18.3 46 33 A V H > S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.921 113.0 47.5 -60.8 -39.0 40.9 11.4 16.8 48 35 A A H > S+ 0 0 29 -4,-0.4 4,-1.4 -3,-0.3 -2,-0.2 0.913 114.0 46.9 -65.5 -42.7 37.9 12.0 19.1 49 36 A F H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.916 112.3 49.0 -67.1 -43.8 39.8 11.1 22.2 50 37 A L H ><5S+ 0 0 66 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 0.875 108.8 53.6 -59.6 -38.7 42.8 13.3 21.3 51 38 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.803 107.2 52.8 -66.9 -29.1 40.5 16.2 20.6 52 39 A A T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.299 125.6-103.1 -87.1 8.1 39.0 15.6 24.1 53 40 A G T < 5S+ 0 0 45 -3,-1.5 -27,-1.3 1,-0.3 2,-0.3 0.746 75.9 136.2 76.8 26.4 42.5 15.8 25.7 54 41 A Y E < - c 0 26A 21 -5,-2.5 2,-0.4 -29,-0.3 -1,-0.3 -0.774 53.3-128.9 -96.4 151.0 43.1 12.1 26.3 55 42 A R E - c 0 27A 52 -29,-2.3 -27,-2.7 -2,-0.3 2,-0.5 -0.853 26.2-145.3 -94.2 133.8 46.3 10.3 25.5 56 43 A C E -Bc 22 28A 1 -34,-2.7 -34,-2.3 -2,-0.4 2,-0.5 -0.898 15.7-172.6-110.1 122.3 45.6 7.1 23.4 57 44 A I E +Bc 21 29A 0 -29,-2.9 -27,-2.7 -2,-0.5 2,-0.3 -0.960 13.6 170.3-108.9 122.1 47.6 3.9 23.7 58 45 A T E +B 20 0A 2 -38,-1.8 -38,-2.7 -2,-0.5 2,-0.3 -0.891 5.9 174.8-125.2 159.2 46.8 1.3 21.1 59 46 A F E -B 19 0A 6 -29,-0.3 2,-0.8 -2,-0.3 -27,-0.3 -0.977 37.3 -98.1-157.6 168.7 48.7 -1.9 20.4 60 47 A D - 0 0 40 -42,-2.6 -42,-0.2 -2,-0.3 -23,-0.1 -0.870 43.2-133.4 -99.3 108.9 48.9 -5.2 18.5 61 48 A N > - 0 0 2 -2,-0.8 3,-2.0 -25,-0.5 6,-0.2 -0.135 37.6 -82.8 -50.9 146.7 47.5 -8.0 20.6 62 49 A R T 3 S+ 0 0 2 1,-0.3 -1,-0.2 -45,-0.1 3,-0.1 -0.378 123.4 37.4 -49.6 131.9 49.5 -11.2 20.8 63 50 A G T 3 S+ 0 0 0 4,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.361 101.1 98.6 95.1 1.2 48.5 -13.2 17.7 64 51 A I S X S- 0 0 18 -3,-2.0 3,-2.0 128,-0.1 -1,-0.3 -0.924 86.4 -29.5-119.4 142.0 48.3 -10.1 15.5 65 52 A G G > S+ 0 0 35 -2,-0.4 3,-2.1 1,-0.3 4,-0.2 -0.351 134.3 16.6 69.0-121.2 50.7 -8.5 13.0 66 53 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -2,-0.2 3,-0.2 0.714 137.4 43.2 -61.7 -21.6 54.4 -9.2 13.9 67 54 A T G X S+ 0 0 18 -3,-2.0 3,-2.1 -6,-0.2 -4,-0.5 0.046 73.5 123.5-109.8 28.5 53.2 -12.0 16.3 68 55 A E T < S+ 0 0 50 -3,-2.1 124,-2.6 1,-0.3 125,-0.4 0.701 74.0 55.2 -62.7 -18.3 50.6 -13.5 13.9 69 56 A N T 3 S+ 0 0 113 -3,-0.2 -1,-0.3 122,-0.2 -2,-0.1 0.457 80.6 120.5 -92.3 0.5 52.4 -16.9 14.2 70 57 A A < + 0 0 20 -3,-2.1 125,-0.3 2,-0.0 2,-0.3 -0.295 34.7 161.0 -62.7 143.2 52.1 -16.9 18.0 71 58 A E + 0 0 115 124,-0.1 3,-0.1 123,-0.1 121,-0.1 -0.923 41.9 56.2-151.6 174.5 50.2 -19.9 19.4 72 59 A G S S+ 0 0 33 -2,-0.3 2,-0.2 1,-0.2 -61,-0.1 0.666 76.7 126.4 73.1 16.2 49.9 -21.7 22.8 73 60 A F - 0 0 9 -64,-0.1 -1,-0.2 -63,-0.1 2,-0.2 -0.607 41.6-155.4-103.3 169.8 48.9 -18.6 24.7 74 61 A T > - 0 0 55 -2,-0.2 4,-1.8 -3,-0.1 3,-0.3 -0.748 38.7 -88.7-133.7 176.9 45.8 -18.1 26.9 75 62 A T H > S+ 0 0 10 123,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.889 127.5 55.9 -53.3 -40.6 43.5 -15.4 28.2 76 63 A Q H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 103.2 53.6 -64.9 -35.6 45.9 -15.1 31.2 77 64 A T H > S+ 0 0 8 -3,-0.3 4,-2.3 2,-0.2 -70,-0.4 0.923 110.9 46.2 -62.6 -40.6 48.8 -14.5 28.8 78 65 A M H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.869 110.1 53.0 -73.7 -35.1 47.0 -11.6 27.2 79 66 A V H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.938 111.4 47.0 -60.1 -45.4 45.9 -10.1 30.5 80 67 A A H X S+ 0 0 39 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.881 109.4 53.9 -68.4 -35.8 49.5 -10.2 31.6 81 68 A D H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.926 110.7 47.2 -60.2 -43.8 50.6 -8.5 28.3 82 69 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 111.4 49.8 -67.5 -41.9 48.1 -5.7 28.9 83 70 A A H X S+ 0 0 11 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.903 109.4 53.1 -57.5 -43.1 49.3 -5.3 32.5 84 71 A A H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.872 107.1 51.2 -63.8 -37.6 52.9 -5.2 31.2 85 72 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.947 113.3 44.8 -62.5 -46.8 51.9 -2.4 28.8 86 73 A I H X>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 4,-0.7 0.937 116.2 46.3 -61.6 -48.1 50.3 -0.4 31.6 87 74 A E H ><5S+ 0 0 119 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.889 110.5 53.6 -63.2 -42.4 53.3 -1.1 34.0 88 75 A T H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.9 42.2 -60.4 -41.5 55.9 -0.2 31.3 89 76 A L H 3<5S- 0 0 27 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.534 104.3-132.6 -82.2 -6.9 54.3 3.2 30.6 90 77 A D T <<5 + 0 0 143 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.928 64.5 132.7 53.4 49.5 53.8 3.8 34.3 91 78 A I < + 0 0 17 -5,-1.8 -4,-0.1 -6,-0.1 -1,-0.1 0.265 36.0 173.6-113.8 11.3 50.2 4.9 33.7 92 79 A A + 0 0 49 -6,-0.4 24,-0.2 1,-0.2 25,-0.1 -0.428 63.5 36.3 -64.6 137.3 48.5 2.8 36.5 93 80 A P S S+ 0 0 78 0, 0.0 24,-0.3 0, 0.0 2,-0.3 0.569 91.9 178.7 -81.4 134.8 45.6 3.1 37.2 94 81 A A E - 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0 0 44 -5,-0.6 2,-0.5 262,-0.1 -1,-0.3 -0.451 41.0-148.5 -70.4 134.4 39.1 -25.8 4.6 149 136 A Q - 0 0 169 -2,-0.2 260,-0.1 -3,-0.1 -1,-0.1 -0.899 13.8-124.1-107.5 126.3 39.3 -22.3 3.1 150 137 A L - 0 0 28 -2,-0.5 254,-0.0 1,-0.1 5,-0.0 -0.479 30.6-109.5 -66.9 132.4 36.1 -20.2 2.4 151 138 A P > - 0 0 10 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.323 34.9-113.2 -56.2 145.7 35.6 -19.0 -1.2 152 139 A P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.827 111.5 45.1 -62.9 -34.7 36.1 -15.2 -1.3 153 140 A T H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 247,-0.2 0.930 115.2 47.6 -74.8 -42.9 32.6 -14.1 -2.1 154 141 A Y H > S+ 0 0 13 246,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.921 112.7 51.3 -54.0 -47.1 31.0 -16.4 0.4 155 142 A D H X S+ 0 0 84 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.931 109.9 48.5 -61.3 -46.2 33.6 -15.2 3.0 156 143 A A H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.885 110.8 50.3 -61.6 -43.4 32.7 -11.5 2.3 157 144 A R H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.917 110.7 49.0 -62.8 -44.7 29.0 -12.1 2.6 158 145 A A H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 110.5 51.6 -61.5 -43.4 29.4 -13.9 5.9 159 146 A R H X S+ 0 0 57 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.886 112.5 45.9 -59.6 -39.5 31.6 -11.1 7.2 160 147 A L H >X S+ 0 0 8 -4,-2.0 4,-1.6 -5,-0.2 3,-0.7 0.956 113.3 47.9 -68.8 -50.0 29.0 -8.5 6.3 161 148 A L H 3< S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.7 47.7 -59.0 -36.1 26.1 -10.4 7.7 162 149 A E H 3< S+ 0 0 35 -4,-2.1 63,-0.5 -5,-0.2 90,-0.4 0.677 118.4 36.2 -81.1 -18.2 27.8 -11.1 11.0 163 150 A N H << S+ 0 0 25 -4,-1.0 90,-2.1 -3,-0.7 2,-0.3 0.614 100.7 68.2-116.7 -13.7 29.0 -7.6 11.7 164 151 A F S < S- 0 0 7 -4,-1.6 88,-0.1 87,-0.2 86,-0.1 -0.777 74.5-105.1-119.9 159.6 26.6 -5.0 10.6 165 152 A S > - 0 0 0 -2,-0.3 4,-2.6 84,-0.3 5,-0.2 -0.248 31.4-112.5 -73.7 161.9 23.1 -3.7 11.6 166 153 A R H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.880 119.3 58.8 -60.3 -37.0 19.9 -4.5 9.6 167 154 A K H 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.878 110.0 41.9 -60.7 -42.2 19.8 -0.7 8.8 168 155 A T H >4 S+ 0 0 7 1,-0.2 3,-1.9 2,-0.2 7,-0.4 0.924 111.8 54.6 -66.7 -47.1 23.3 -0.9 7.1 169 156 A L H 3< S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.751 106.3 52.2 -60.9 -29.1 22.5 -4.2 5.4 170 157 A N T 3< S+ 0 0 72 -4,-1.7 2,-0.8 -5,-0.2 -1,-0.3 0.399 92.0 85.2 -84.6 -0.6 19.3 -2.7 3.8 171 158 A D <> - 0 0 75 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 -0.882 62.9-165.3-109.3 102.3 21.3 0.2 2.4 172 159 A D H > S+ 0 0 51 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.834 87.8 49.9 -59.0 -37.1 22.8 -0.9 -0.9 173 160 A V H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 111.8 47.3 -68.1 -47.3 25.2 2.1 -1.1 174 161 A A H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 109.3 55.2 -59.4 -43.8 26.5 1.5 2.5 175 162 A V H X S+ 0 0 24 -4,-2.8 4,-2.6 -7,-0.4 5,-0.2 0.932 107.2 49.8 -55.2 -48.2 26.9 -2.2 1.7 176 163 A G H X S+ 0 0 39 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.905 109.8 51.8 -56.0 -41.7 29.1 -1.4 -1.3 177 164 A D H X S+ 0 0 105 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 112.5 44.1 -64.3 -45.3 31.2 0.9 0.9 178 165 A W H X S+ 0 0 39 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.916 110.6 54.2 -66.6 -41.1 31.8 -1.7 3.6 179 166 A I H X S+ 0 0 48 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.877 109.6 47.9 -59.7 -40.2 32.5 -4.5 1.1 180 167 A A H >X S+ 0 0 55 -4,-2.0 4,-0.9 -5,-0.2 3,-0.7 0.925 109.1 54.7 -67.1 -41.9 35.2 -2.3 -0.5 181 168 A M H 3X S+ 0 0 64 -4,-2.1 4,-0.9 1,-0.2 3,-0.4 0.808 97.9 63.1 -57.4 -35.8 36.6 -1.6 3.0 182 169 A F H >< S+ 0 0 18 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.879 96.7 58.6 -57.5 -37.8 36.9 -5.3 3.6 183 170 A S H << S+ 0 0 99 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.875 108.7 45.3 -59.8 -35.2 39.5 -5.4 0.8 184 171 A M H 3< S+ 0 0 138 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.547 117.2 44.3 -85.1 -11.4 41.6 -2.8 2.7 185 172 A W S << S- 0 0 67 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 -0.517 78.1-179.6-129.3 64.9 41.2 -4.7 6.1 186 173 A P - 0 0 102 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.317 22.5-141.3 -61.7 147.5 41.8 -8.4 5.3 187 174 A I - 0 0 87 -5,-0.0 2,-0.2 -151,-0.0 -151,-0.1 -0.906 20.4-149.2-113.5 98.7 41.6 -10.8 8.2 188 175 A K - 0 0 130 -2,-0.7 2,-0.8 -153,-0.1 5,-0.1 -0.463 14.4-123.1 -71.9 137.8 44.4 -13.3 7.6 189 176 A S + 0 0 85 -2,-0.2 -1,-0.1 4,-0.1 3,-0.0 -0.725 52.1 156.5 -83.1 110.6 43.8 -16.8 8.9 190 177 A T > - 0 0 6 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.858 60.3-105.8-134.2 164.6 46.8 -17.4 11.1 191 178 A P H > S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 -122,-0.2 0.890 121.7 55.2 -57.3 -38.7 47.8 -19.5 14.1 192 179 A G H > S+ 0 0 0 -124,-2.6 4,-2.1 1,-0.2 5,-0.1 0.909 106.3 48.3 -63.2 -42.3 47.4 -16.3 16.2 193 180 A L H > S+ 0 0 21 -125,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.879 112.0 50.4 -65.1 -38.9 43.9 -15.8 15.1 194 181 A R H >X S+ 0 0 44 -4,-2.1 3,-0.7 2,-0.2 4,-0.5 0.919 110.2 49.3 -63.7 -43.5 43.1 -19.4 15.9 195 182 A C H >< S+ 0 0 15 -4,-2.6 3,-1.3 -125,-0.3 4,-0.4 0.895 103.7 60.8 -66.4 -30.3 44.6 -19.1 19.4 196 183 A Q H >< S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.782 89.8 71.2 -65.8 -23.7 42.6 -15.9 20.1 197 184 A L H << S+ 0 0 11 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.844 97.1 50.1 -62.5 -29.9 39.4 -17.9 19.6 198 185 A D T << S+ 0 0 67 -3,-1.3 2,-1.7 -4,-0.5 -123,-0.3 0.551 83.8 92.2 -89.1 -0.4 40.2 -19.7 22.9 199 186 A C S < S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.4 -94,-0.1 -0.545 73.0 94.4 -86.7 71.3 40.7 -16.4 24.7 200 187 A A S S- 0 0 6 -2,-1.7 -125,-0.1 -96,-0.1 -71,-0.1 -0.936 90.7 -61.5-156.4 160.0 37.1 -16.3 25.7 201 188 A P + 0 0 2 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 -0.313 40.3 177.0 -58.4 131.6 35.0 -17.4 28.7 202 189 A Q S S+ 0 0 125 1,-0.1 2,-0.3 -74,-0.1 -74,-0.1 0.413 75.1 17.3-108.8 -8.6 35.3 -21.2 29.3 203 190 A T S S- 0 0 92 -76,-0.1 2,-0.7 0, 0.0 -1,-0.1 -0.835 107.2 -68.5-148.1 176.8 33.1 -21.0 32.5 204 191 A N + 0 0 86 -2,-0.3 4,-0.2 1,-0.2 -76,-0.2 -0.701 45.6 177.3 -80.1 114.4 30.7 -18.4 33.9 205 192 A R > + 0 0 63 -78,-3.4 4,-1.4 -2,-0.7 3,-0.4 0.497 55.8 96.9 -96.2 -7.3 32.8 -15.4 34.9 206 193 A L H > S+ 0 0 25 -79,-0.6 4,-0.8 1,-0.2 3,-0.4 0.875 79.3 55.2 -51.6 -42.7 29.9 -13.3 36.1 207 194 A P H >4 S+ 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.928 106.6 52.1 -59.2 -40.2 30.4 -14.3 39.8 208 195 A A H >4 S+ 0 0 21 -3,-0.4 3,-1.3 1,-0.2 -2,-0.2 0.797 101.7 60.6 -61.1 -30.7 34.0 -13.1 39.6 209 196 A Y H >< S+ 0 0 0 -4,-1.4 3,-1.6 -3,-0.4 -1,-0.2 0.692 84.5 77.3 -79.2 -15.6 33.0 -9.7 38.2 210 197 A R T << S+ 0 0 158 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.722 90.8 57.3 -64.6 -16.4 30.9 -8.9 41.3 211 198 A N T < S+ 0 0 137 -3,-1.3 2,-0.7 -4,-0.3 -1,-0.3 0.495 78.1 109.6 -90.4 -3.2 34.2 -8.1 43.1 212 199 A I < - 0 0 5 -3,-1.6 29,-0.6 1,-0.2 -101,-0.1 -0.626 44.2-175.6 -77.1 117.1 35.3 -5.4 40.6 213 200 A A + 0 0 69 -2,-0.7 -1,-0.2 -103,-0.2 3,-0.1 0.789 46.8 104.7 -78.8 -32.6 35.0 -2.1 42.3 214 201 A A S S- 0 0 9 1,-0.1 27,-0.3 -97,-0.1 -95,-0.2 -0.149 79.7-104.7 -59.1 145.2 35.9 0.2 39.4 215 202 A P - 0 0 24 0, 0.0 -95,-1.6 0, 0.0 2,-0.4 -0.462 46.1-174.8 -65.9 139.0 33.2 2.2 37.5 216 203 A V E -fg 120 242A 1 25,-2.0 27,-1.7 -97,-0.2 2,-0.5 -0.994 24.7-153.4-141.5 138.9 32.4 0.6 34.2 217 204 A L E -fg 121 243A 0 -97,-2.3 -95,-2.9 -2,-0.4 2,-0.5 -0.981 15.3-162.6-110.4 120.3 30.3 1.4 31.1 218 205 A V E -fg 122 244A 0 25,-2.9 27,-2.4 -2,-0.5 2,-0.5 -0.925 6.2-161.4-101.1 127.1 29.1 -1.7 29.2 219 206 A I E -fg 123 245A 0 -97,-2.6 -95,-2.5 -2,-0.5 2,-0.3 -0.955 3.8-166.6-113.2 125.0 27.9 -0.9 25.7 220 207 A G E - g 0 246A 2 25,-2.8 27,-2.7 -2,-0.5 2,-0.5 -0.813 16.2-137.4-106.4 146.0 25.7 -3.4 23.8 221 208 A F E > - g 0 247A 0 6,-0.4 3,-1.9 -2,-0.3 6,-0.1 -0.943 15.0-140.1-105.6 123.5 25.0 -3.1 20.1 222 209 A A T 3 S+ 0 0 22 25,-2.3 29,-0.2 -2,-0.5 -1,-0.1 0.773 98.2 38.8 -60.1 -36.1 21.3 -3.9 19.4 223 210 A D T 3 S+ 0 0 19 27,-2.4 2,-0.4 24,-0.3 29,-0.3 0.315 82.7 129.3 -97.1 9.2 21.8 -5.9 16.2 224 211 A D < + 0 0 3 -3,-1.9 -61,-0.1 26,-0.5 27,-0.1 -0.495 24.1 170.1 -69.0 120.4 24.9 -7.8 17.4 225 212 A V S S+ 0 0 17 -63,-0.5 -1,-0.2 -2,-0.4 -62,-0.1 0.534 75.1 61.1-100.7 -13.6 24.6 -11.6 16.9 226 213 A V S S+ 0 0 43 -64,-0.4 -90,-0.1 1,-0.3 -63,-0.1 0.906 128.8 9.3 -78.3 -46.1 28.2 -12.4 17.6 227 214 A T S S- 0 0 4 -6,-0.1 -6,-0.4 -98,-0.0 -1,-0.3 -0.770 92.7-144.5-130.6 88.7 28.0 -11.0 21.2 228 215 A P >> - 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.139 18.4-117.9 -60.7 147.9 24.3 -10.3 21.8 229 216 A P H >> S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.800 108.8 66.1 -64.2 -28.6 23.5 -7.3 23.9 230 217 A Y H 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.835 98.0 55.8 -59.5 -32.0 21.8 -9.3 26.7 231 218 A L H <> S+ 0 0 0 -3,-1.4 4,-1.1 2,-0.2 -104,-0.3 0.835 107.1 49.5 -67.6 -33.7 25.2 -10.9 27.5 232 219 A G H < S- 0 0 4 -4,-2.4 3,-1.7 1,-0.2 -29,-0.2 -0.514 72.8-148.2 -70.4 121.4 29.6 -5.2 38.2 240 227 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.838 101.7 30.1 -62.9 -30.5 28.6 -3.3 41.4 241 228 A N T 3 S+ 0 0 98 -29,-0.6 -25,-2.0 -27,-0.3 2,-0.3 0.034 99.7 111.8-115.1 29.1 29.6 -0.1 39.7 242 229 A G E < -g 216 0A 19 -3,-1.7 2,-0.3 -6,-0.4 -25,-0.2 -0.725 43.2-169.9 -98.0 146.5 28.8 -1.0 36.1 243 230 A R E -g 217 0A 107 -27,-1.7 -25,-2.9 -2,-0.3 2,-0.4 -0.971 16.1-127.6-133.0 154.9 25.9 0.4 34.0 244 231 A Y E +g 218 0A 36 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.814 20.9 179.0-108.9 137.8 24.5 -0.7 30.7 245 232 A L E -g 219 0A 56 -27,-2.4 -25,-2.8 -2,-0.4 2,-0.4 -1.000 12.1-155.7-132.3 137.7 23.9 1.4 27.5 246 233 A Q E -g 220 0A 87 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.0 -0.927 5.5-149.8-115.7 135.4 22.5 -0.0 24.2 247 234 A I E > -g 221 0A 10 -27,-2.7 -25,-2.3 -2,-0.4 3,-0.5 -0.908 19.9-135.6-102.5 120.5 23.2 1.6 20.8 248 235 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -83,-0.1 -0.337 81.8 19.3 -70.4 158.0 20.3 1.1 18.3 249 236 A D T 3 S+ 0 0 68 1,-0.2 2,-0.4 -85,-0.1 -84,-0.3 0.847 94.4 125.5 53.6 43.4 21.0 0.1 14.7 250 237 A A < - 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0 0 44 -5,-0.5 2,-0.6 -260,-0.1 -1,-0.3 -0.347 36.6-147.6 -60.7 131.4 34.4 -27.0 -0.9 410 136 B Q - 0 0 150 -3,-0.1 -262,-0.1 -2,-0.1 -1,-0.1 -0.932 13.9-136.5 -99.8 116.2 32.6 -28.9 1.7 411 137 B L - 0 0 8 -2,-0.6 -268,-0.0 1,-0.1 5,-0.0 -0.526 30.0-107.8 -63.9 133.2 31.8 -26.8 4.8 412 138 B P > - 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.319 35.2-108.2 -61.3 153.4 32.6 -28.7 8.0 413 139 B P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.840 114.2 45.0 -61.9 -44.0 29.4 -29.8 9.8 414 140 B T H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -275,-0.2 0.896 115.5 49.7 -66.8 -38.9 29.3 -27.5 12.8 415 141 B Y H > S+ 0 0 5 -276,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.903 110.0 50.5 -66.0 -41.3 30.3 -24.5 10.6 416 142 B D H X S+ 0 0 61 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 111.6 48.6 -58.7 -46.3 27.5 -25.4 8.2 417 143 B A H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.869 108.4 53.4 -62.3 -39.5 25.0 -25.5 11.1 418 144 B R H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.955 109.3 49.2 -61.1 -45.7 26.2 -22.2 12.5 419 145 B A H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 110.9 50.1 -58.8 -41.6 25.6 -20.6 9.0 420 146 B R H X S+ 0 0 51 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.904 111.5 49.2 -62.9 -43.3 22.1 -22.2 8.9 421 147 B L H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 3,-0.4 0.957 114.3 44.6 -57.5 -53.5 21.3 -20.8 12.4 422 148 B L H < S+ 0 0 27 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.826 116.2 44.4 -62.6 -37.8 22.5 -17.3 11.5 423 149 B E H < S+ 0 0 34 -4,-2.3 90,-0.5 -5,-0.2 63,-0.5 0.707 121.3 35.1 -81.7 -19.8 20.8 -17.0 8.1 424 150 B N H < S+ 0 0 24 -4,-1.3 90,-2.3 -3,-0.4 2,-0.3 0.593 102.9 62.8-116.4 -14.3 17.4 -18.5 9.2 425 151 B F S < S- 0 0 6 -4,-1.5 88,-0.1 87,-0.2 86,-0.1 -0.817 71.7-110.9-125.5 156.5 16.4 -17.5 12.7 426 152 B S > - 0 0 0 84,-0.3 4,-1.6 -2,-0.3 3,-0.2 -0.311 33.0-108.1 -76.3 165.0 15.7 -14.4 14.6 427 153 B R H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.890 118.0 57.8 -48.3 -46.1 17.8 -12.9 17.4 428 154 B K H 4 S+ 0 0 115 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.849 106.0 48.8 -64.7 -36.5 15.3 -13.9 20.0 429 155 B T H >4 S+ 0 0 8 1,-0.2 3,-1.1 -3,-0.2 7,-0.4 0.892 107.8 53.6 -68.9 -37.5 15.6 -17.6 19.0 430 156 B L H 3< S+ 0 0 3 -4,-1.6 -298,-0.5 1,-0.3 -2,-0.2 0.821 105.4 55.7 -72.0 -25.4 19.4 -17.5 19.1 431 157 B N T 3< S+ 0 0 51 -4,-1.7 2,-0.9 -5,-0.1 -1,-0.3 0.657 89.5 86.8 -77.0 -13.4 19.2 -16.1 22.7 432 158 B D <> - 0 0 82 -3,-1.1 4,-2.5 -4,-0.5 5,-0.3 -0.748 63.8-161.7-100.5 104.9 17.1 -19.1 23.8 433 159 B D H > S+ 0 0 68 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.795 88.6 48.0 -53.2 -41.1 19.4 -21.9 24.8 434 160 B V H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 111.5 50.6 -69.2 -44.6 16.7 -24.7 24.6 435 161 B A H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.951 109.4 50.3 -53.3 -56.0 15.5 -23.6 21.2 436 162 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 -7,-0.4 5,-0.2 0.892 107.4 53.9 -54.6 -43.1 19.1 -23.5 19.8 437 163 B G H X S+ 0 0 15 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.3 0.922 111.9 46.3 -58.8 -40.9 19.7 -27.0 21.1 438 164 B D H X S+ 0 0 93 -4,-2.0 4,-3.5 2,-0.2 -2,-0.2 0.925 110.7 50.5 -67.1 -43.2 16.5 -28.1 19.2 439 165 B W H X S+ 0 0 33 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.896 110.3 50.1 -65.8 -36.7 17.4 -26.3 16.0 440 166 B I H X S+ 0 0 25 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.902 114.2 44.3 -64.9 -44.4 20.8 -27.9 15.9 441 167 B A H >X S+ 0 0 50 -4,-2.0 4,-1.1 -5,-0.2 3,-1.0 0.921 109.2 58.9 -59.6 -43.7 19.2 -31.3 16.5 442 168 B M H >X S+ 0 0 57 -4,-3.5 4,-1.0 1,-0.3 3,-0.6 0.868 98.2 59.8 -55.9 -39.0 16.6 -30.3 13.8 443 169 B F H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.815 100.7 53.0 -60.1 -34.7 19.4 -29.9 11.3 444 170 B S H << S+ 0 0 100 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.772 111.8 46.5 -72.5 -24.7 20.5 -33.5 11.7 445 171 B M H << S+ 0 0 126 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.614 116.2 47.8 -87.9 -12.7 17.0 -34.5 10.9 446 172 B W S < S+ 0 0 60 -4,-1.0 -1,-0.2 -5,-0.2 2,-0.1 -0.526 75.9 177.0-125.1 61.9 16.8 -32.1 8.0 447 173 B P - 0 0 102 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.447 17.8-151.8 -67.1 139.8 20.0 -32.7 5.9 448 174 B I - 0 0 83 -2,-0.1 2,-0.2 -5,-0.1 -151,-0.1 -0.880 12.5-151.7-115.2 97.5 20.3 -30.6 2.7 449 175 B K - 0 0 137 -2,-0.6 2,-0.7 -153,-0.1 5,-0.2 -0.441 18.1-121.9 -68.8 135.8 22.4 -32.4 0.2 450 176 B S + 0 0 82 -2,-0.2 -1,-0.1 4,-0.1 3,-0.0 -0.700 51.7 161.8 -76.9 112.3 24.4 -30.3 -2.4 451 177 B T > - 0 0 6 -2,-0.7 4,-1.8 -127,-0.1 5,-0.2 -0.831 57.9-106.7-129.1 164.3 22.9 -31.7 -5.6 452 178 B P H > S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 -122,-0.2 0.870 123.7 55.2 -56.4 -38.4 22.7 -30.6 -9.3 453 179 B G H > S+ 0 0 0 -124,-2.7 4,-2.2 2,-0.2 5,-0.1 0.897 104.8 49.4 -59.3 -47.5 19.1 -29.9 -8.5 454 180 B L H > S+ 0 0 20 -125,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.867 112.6 49.4 -59.6 -38.7 19.9 -27.6 -5.6 455 181 B R H >< S+ 0 0 58 -4,-1.8 3,-0.6 1,-0.2 4,-0.5 0.911 110.4 48.8 -69.8 -42.9 22.3 -25.7 -7.8 456 182 B C H >< S+ 0 0 7 -4,-2.3 3,-1.6 -125,-0.3 4,-0.4 0.871 104.2 60.4 -64.2 -36.8 19.8 -25.3 -10.6 457 183 B Q H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.808 90.8 69.8 -60.2 -28.7 17.1 -24.1 -8.2 458 184 B L T << S+ 0 0 3 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.814 96.2 53.7 -56.8 -29.5 19.5 -21.2 -7.4 459 185 B D T < S+ 0 0 77 -3,-1.6 2,-1.7 -4,-0.5 -123,-0.3 0.579 84.1 91.0 -81.5 -13.8 18.6 -19.9 -10.9 460 186 B C S < S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.4 -94,-0.1 -0.560 70.5 90.1 -87.4 74.1 14.9 -20.1 -10.2 461 187 B A S S- 0 0 7 -2,-1.7 -125,-0.1 -96,-0.1 -71,-0.1 -0.931 90.7 -58.9-158.4 164.3 14.6 -16.5 -8.9 462 188 B P + 0 0 4 0, 0.0 -73,-0.1 0, 0.0 3,-0.1 -0.328 41.5 174.4 -58.3 135.0 14.0 -13.0 -10.5 463 189 B Q S S+ 0 0 138 -73,-0.1 2,-0.2 1,-0.0 -74,-0.0 0.454 71.8 20.6-115.2 -8.7 16.5 -12.0 -13.1 464 190 B T S S- 0 0 87 -76,-0.1 2,-0.8 0, 0.0 -1,-0.0 -0.798 104.8 -67.9-146.1 178.6 14.7 -8.8 -14.1 465 191 B N + 0 0 91 -2,-0.2 -76,-0.2 -76,-0.2 4,-0.2 -0.711 47.6 172.6 -81.3 110.4 12.1 -6.4 -12.5 466 192 B R >> + 0 0 62 -78,-3.2 4,-1.6 -2,-0.8 3,-0.5 0.475 53.2 96.3 -98.1 -5.5 8.9 -8.4 -12.4 467 193 B L H >> S+ 0 0 21 -79,-0.7 4,-1.0 1,-0.2 3,-0.5 0.914 80.4 55.1 -52.8 -46.2 6.9 -5.8 -10.4 468 194 B P H 34 S+ 0 0 55 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.870 108.0 50.5 -57.1 -35.2 5.4 -4.4 -13.6 469 195 B A H X4 S+ 0 0 24 -3,-0.5 3,-1.2 1,-0.2 -2,-0.2 0.837 105.0 56.8 -67.2 -32.1 4.1 -7.8 -14.5 470 196 B Y H X< S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.5 -1,-0.2 0.664 87.8 77.3 -76.1 -16.8 2.6 -8.3 -11.0 471 197 B R T 3< S+ 0 0 144 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.724 91.9 54.5 -63.1 -20.8 0.5 -5.2 -11.5 472 198 B N T < S+ 0 0 142 -3,-1.2 2,-0.7 -4,-0.3 -1,-0.3 0.362 79.0 110.7 -94.2 3.6 -1.8 -7.3 -13.7 473 199 B I < - 0 0 4 -3,-1.5 29,-0.6 1,-0.2 -101,-0.1 -0.731 43.4-175.8 -83.6 118.3 -2.5 -10.0 -11.1 474 200 B A + 0 0 73 -2,-0.7 -1,-0.2 -103,-0.2 3,-0.1 0.779 45.2 106.5 -82.5 -33.0 -6.1 -9.7 -10.0 475 201 B A S S- 0 0 16 -97,-0.1 27,-0.4 1,-0.1 2,-0.2 -0.067 80.2-102.4 -51.2 146.0 -6.2 -12.4 -7.2 476 202 B P - 0 0 39 0, 0.0 -95,-1.6 0, 0.0 2,-0.4 -0.541 48.6-172.6 -64.2 135.6 -6.3 -11.5 -3.5 477 203 B V E -lm 381 503B 0 25,-1.9 27,-1.9 -97,-0.2 2,-0.6 -0.997 23.4-156.5-141.0 134.2 -2.8 -12.0 -2.1 478 204 B L E -lm 382 504B 8 -97,-2.7 -95,-3.0 -2,-0.4 2,-0.5 -0.954 12.7-163.1-106.6 120.9 -1.3 -11.8 1.3 479 205 B V E -lm 383 505B 0 25,-3.0 27,-2.6 -2,-0.6 2,-0.5 -0.909 6.7-162.4-101.2 127.2 2.5 -11.1 1.4 480 206 B I E -lm 384 506B 0 -97,-2.9 -95,-1.9 -2,-0.5 2,-0.4 -0.953 3.5-166.8-114.2 129.4 4.2 -11.9 4.6 481 207 B G E - m 0 507B 1 25,-2.7 27,-2.7 -2,-0.5 2,-0.6 -0.907 16.5-135.8-112.7 142.9 7.6 -10.5 5.6 482 208 B F E > - m 0 508B 0 -2,-0.4 3,-1.9 6,-0.4 6,-0.1 -0.911 13.0-138.7-103.7 125.2 9.7 -11.8 8.4 483 209 B A T 3 S+ 0 0 26 25,-2.6 29,-0.2 -2,-0.6 -1,-0.1 0.839 99.3 37.7 -47.1 -54.4 11.3 -9.0 10.5 484 210 B D T 3 S+ 0 0 10 27,-1.9 2,-0.6 24,-0.3 29,-0.3 0.168 82.8 138.3 -90.5 20.8 14.7 -10.6 11.0 485 211 B D < + 0 0 4 -3,-1.9 -61,-0.1 26,-0.4 27,-0.1 -0.533 20.3 169.5 -77.2 114.6 15.0 -12.0 7.5 486 212 B V S S+ 0 0 20 -2,-0.6 -1,-0.2 -63,-0.5 -62,-0.1 0.569 76.5 55.0 -96.7 -12.8 18.5 -11.6 6.0 487 213 B V S S+ 0 0 9 -64,-0.4 -90,-0.1 1,-0.2 -1,-0.1 0.903 129.8 11.7 -84.3 -47.6 18.1 -13.8 3.0 488 214 B T S S- 0 0 6 -6,-0.1 -6,-0.4 -95,-0.0 -1,-0.2 -0.757 89.9-142.9-129.3 86.1 14.9 -12.1 1.7 489 215 B P >> - 0 0 8 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.144 17.9-119.9 -58.0 143.2 14.7 -8.8 3.7 490 216 B P H >> S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 3,-1.3 0.811 106.4 69.6 -59.0 -34.1 11.0 -7.9 4.5 491 217 B Y H 3> S+ 0 0 59 1,-0.3 4,-1.5 2,-0.2 -104,-0.0 0.809 93.0 60.0 -56.8 -26.7 11.1 -4.6 2.6 492 218 B L H <> S+ 0 0 0 -3,-1.9 4,-1.3 1,-0.2 -1,-0.3 0.827 101.4 54.1 -70.8 -30.5 11.2 -6.6 -0.7 493 219 B G H < S- 0 0 3 -4,-2.0 3,-1.8 1,-0.2 -29,-0.2 -0.599 74.2-143.5 -74.0 123.9 -0.3 -6.4 -6.6 501 227 B P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 0.877 102.6 27.6 -54.4 -43.7 -3.6 -4.6 -7.0 502 228 B N T 3 S+ 0 0 88 -29,-0.6 -25,-1.9 -27,-0.4 2,-0.3 0.069 101.1 114.6-107.5 24.3 -5.3 -6.8 -4.4 503 229 B G E < -m 477 0B 19 -3,-1.8 2,-0.3 -6,-0.4 -25,-0.2 -0.639 40.8-173.7 -91.7 149.3 -2.1 -7.6 -2.4 504 230 B R E -m 478 0B 111 -27,-1.9 -25,-3.0 -2,-0.3 2,-0.4 -0.953 16.8-128.2-137.7 160.6 -1.5 -6.5 1.1 505 231 B Y E +m 479 0B 39 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.901 20.2 179.2-115.9 135.4 1.6 -6.8 3.4 506 232 B L E -m 480 0B 72 -27,-2.6 -25,-2.7 -2,-0.4 2,-0.4 -0.991 13.4-151.5-129.5 142.1 1.9 -8.2 6.8 507 233 B Q E -m 481 0B 77 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.1 -0.950 3.0-151.4-115.3 133.7 5.1 -8.4 8.9 508 234 B I E > -m 482 0B 9 -27,-2.7 -25,-2.6 -2,-0.4 3,-0.6 -0.905 20.9-135.3-101.5 120.8 5.9 -11.0 11.6 509 235 B P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -83,-0.1 -0.343 80.6 17.7 -74.8 155.4 8.2 -9.8 14.4 510 236 B D T 3 S+ 0 0 65 1,-0.2 2,-0.4 -85,-0.1 -84,-0.3 0.829 94.7 126.9 57.4 39.6 11.1 -11.8 15.7 511 237 B A < - 0 0 0 -3,-0.6 -27,-1.9 -86,-0.1 -26,-0.4 -0.992 41.4-161.8-130.3 129.1 11.1 -14.1 12.7 512 238 B G > - 0 0 1 -2,-0.4 3,-1.1 -88,-0.3 -27,-0.3 -0.129 54.6 -64.6 -89.6-166.9 14.0 -15.0 10.5 513 239 B H T 3 S+ 0 0 24 -90,-0.5 3,-0.3 -29,-0.3 -88,-0.2 0.709 136.4 54.9 -53.6 -27.8 13.9 -16.5 7.0 514 240 B L T >> S+ 0 0 48 -90,-2.3 4,-1.8 1,-0.2 3,-1.5 -0.256 70.9 142.1 -98.9 42.7 12.3 -19.7 8.4 515 241 B G H <> + 0 0 0 -3,-1.1 4,-2.6 1,-0.3 8,-0.2 0.781 62.9 59.8 -55.3 -32.7 9.5 -17.6 10.0 516 242 B F H 34 S+ 0 0 10 -3,-0.3 -1,-0.3 1,-0.2 8,-0.1 0.727 113.7 37.5 -75.5 -19.6 6.8 -20.2 9.2 517 243 B F H <4 S+ 0 0 22 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.716 120.0 47.4 -92.3 -30.9 8.8 -22.8 11.3 518 244 B E H < S+ 0 0 13 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.867 129.4 17.4 -83.6 -42.8 9.9 -20.4 13.9 519 245 B R S X S+ 0 0 66 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 -0.565 75.1 156.7-126.6 61.2 6.6 -18.6 14.7 520 246 B P H > S+ 0 0 28 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.847 70.0 55.8 -65.2 -32.3 4.1 -21.0 13.2 521 247 B E H > S+ 0 0 166 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 111.4 42.5 -64.3 -48.8 1.2 -19.8 15.4 522 248 B A H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.925 118.9 45.4 -60.6 -42.6 1.6 -16.2 14.3 523 249 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 -8,-0.2 -2,-0.2 0.923 113.4 48.0 -70.7 -45.3 2.1 -17.2 10.7 524 250 B N H X S+ 0 0 14 -4,-3.4 4,-3.0 -5,-0.2 5,-0.3 0.926 109.7 53.4 -63.0 -42.7 -0.7 -19.8 10.5 525 251 B T H X S+ 0 0 72 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.918 109.3 49.3 -55.4 -45.0 -3.2 -17.3 12.1 526 252 B A H X S+ 0 0 15 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.916 114.6 43.4 -61.6 -47.0 -2.4 -14.7 9.5 527 253 B M H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.910 115.4 47.8 -66.4 -42.7 -2.8 -17.1 6.6 528 254 B L H X S+ 0 0 37 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.892 111.8 49.8 -71.0 -38.8 -6.0 -18.7 8.0 529 255 B K H X S+ 0 0 154 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.933 114.4 46.0 -60.1 -45.1 -7.6 -15.3 8.7 530 256 B F H >X S+ 0 0 11 -4,-2.1 3,-0.9 -5,-0.2 4,-0.7 0.958 114.2 46.3 -60.5 -52.6 -6.7 -14.2 5.2 531 257 B F H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.843 108.6 56.7 -63.8 -31.2 -8.0 -17.4 3.5 532 258 B A H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.791 103.4 56.2 -66.7 -28.1 -11.2 -17.3 5.6 533 259 B S H << S+ 0 0 82 -4,-1.0 2,-0.3 -3,-0.9 -1,-0.2 0.658 102.8 63.1 -78.7 -18.5 -12.0 -13.8 4.3 534 260 B V S << S- 0 0 27 -3,-0.7 2,-0.1 -4,-0.7 -154,-0.1 -0.779 83.5-108.0-115.2 152.3 -11.9 -14.7 0.6 535 261 B K 0 0 185 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.447 360.0 360.0 -71.3 149.7 -13.9 -17.0 -1.7 536 262 B A 0 0 75 -2,-0.1 -1,-0.1 -180,-0.0 -157,-0.1 0.579 360.0 360.0 -68.4 360.0 -12.5 -20.2 -3.0