==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-SEP-04 1XG2 . COMPND 2 MOLECULE: PECTINESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR A.DI MATTEO,A.RAIOLA,L.CAMARDELLA,A.GIOVANE,D.BONIVENTO, . 468 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 23.9 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 . 36 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 3 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 3 2 10 7 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 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 1 1 0 0 1 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 I 0 0 193 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 60.9 -4.6 31.0 2 2 A I - 0 0 149 1,-0.1 32,-0.2 2,-0.0 2,-0.0 -0.802 360.0 -96.7-105.3 150.0 62.6 -3.1 34.2 3 3 A A - 0 0 33 -2,-0.3 32,-0.2 1,-0.1 3,-0.1 -0.312 17.2-148.4 -65.8 146.7 63.5 0.6 34.6 4 4 A N S S+ 0 0 87 30,-1.9 2,-0.3 1,-0.3 31,-0.2 0.671 85.7 17.8 -84.6 -24.0 67.1 1.8 33.9 5 5 A A E S-a 35 0A 2 29,-1.6 31,-2.6 2,-0.0 2,-0.4 -0.973 70.5-151.4-150.2 139.2 66.9 4.6 36.5 6 6 A V E -a 36 0A 30 -2,-0.3 9,-1.8 29,-0.2 8,-1.8 -0.923 2.2-159.7-117.6 133.9 64.5 5.1 39.5 7 7 A V E +ab 37 15A 0 29,-3.2 31,-3.1 -2,-0.4 2,-0.3 -0.948 24.3 157.6-109.7 130.6 63.5 8.5 41.0 8 8 A A > - 0 0 1 7,-2.6 3,-0.6 -2,-0.5 5,-0.3 -0.988 41.2-146.9-155.5 146.8 62.1 8.5 44.5 9 9 A Q T 3 S+ 0 0 89 30,-0.4 -1,-0.1 -2,-0.3 7,-0.1 0.705 96.3 63.0 -85.5 -23.5 61.7 10.9 47.4 10 10 A D T 3 S- 0 0 109 1,-0.0 -1,-0.2 6,-0.0 6,-0.1 0.141 113.9-107.4 -90.3 17.6 62.1 8.3 50.2 11 11 A G S < S+ 0 0 63 -3,-0.6 -2,-0.1 1,-0.1 5,-0.1 0.447 90.9 114.1 74.8 1.8 65.7 7.4 49.2 12 12 A T + 0 0 80 3,-0.1 2,-0.1 4,-0.0 -1,-0.1 0.415 67.3 63.1 -86.0 0.4 64.8 4.0 47.7 13 13 A G S S- 0 0 27 -5,-0.3 -6,-0.2 2,-0.1 3,-0.1 -0.344 94.6 -99.6-109.6-168.4 65.8 5.0 44.2 14 14 A D S S+ 0 0 102 -8,-1.8 2,-0.3 1,-0.2 -7,-0.2 0.713 103.8 19.9 -82.9 -28.7 68.8 6.0 42.2 15 15 A Y B -b 7 0A 75 -9,-1.8 -7,-2.6 1,-0.1 -1,-0.2 -0.980 58.6-142.9-143.0 156.3 68.0 9.7 42.4 16 16 A Q S S+ 0 0 115 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.1 0.679 87.7 41.0 -89.1 -23.9 65.8 12.1 44.5 17 17 A T S > S- 0 0 42 1,-0.1 4,-1.2 25,-0.0 3,-0.1 -0.933 72.7-130.1-128.1 154.1 64.8 14.3 41.6 18 18 A L H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.885 105.8 61.5 -66.4 -39.5 63.7 13.8 38.0 19 19 A A H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 102.7 51.1 -56.9 -40.5 66.2 16.4 36.6 20 20 A E H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 109.6 49.6 -64.3 -43.0 69.1 14.4 38.0 21 21 A A H X S+ 0 0 0 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.898 110.5 50.0 -63.8 -41.1 67.9 11.2 36.3 22 22 A V H >< S+ 0 0 7 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.939 109.8 50.9 -63.7 -46.2 67.5 12.9 32.9 23 23 A A H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.8 47.6 -57.5 -37.7 71.0 14.4 33.1 24 24 A A H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.558 89.3 106.2 -82.8 -10.0 72.5 11.0 33.8 25 25 A A S << S- 0 0 4 -3,-1.0 30,-0.0 -4,-0.8 -3,-0.0 -0.391 83.3 -94.6 -66.9 150.2 70.5 9.3 31.0 26 26 A P - 0 0 57 0, 0.0 3,-0.5 0, 0.0 2,-0.4 -0.268 35.1-119.2 -65.5 151.8 72.6 8.4 27.9 27 27 A D S S+ 0 0 93 1,-0.2 25,-0.2 25,-0.1 24,-0.1 -0.787 88.7 0.5 -92.3 136.6 72.9 10.8 24.9 28 28 A K S S- 0 0 147 23,-2.6 -1,-0.2 -2,-0.4 2,-0.1 0.847 83.5-172.3 56.0 40.3 71.7 9.6 21.5 29 29 A S - 0 0 17 -3,-0.5 -1,-0.2 24,-0.4 4,-0.1 -0.418 21.5-151.1 -62.7 131.8 70.6 6.2 22.8 30 30 A K S S+ 0 0 203 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.485 79.7 49.7 -85.8 -6.9 69.6 3.9 20.0 31 31 A T S S- 0 0 103 22,-0.1 2,-0.2 23,-0.0 -2,-0.1 -0.929 101.7 -82.7-127.1 162.3 67.2 2.0 22.3 32 32 A R - 0 0 97 -2,-0.3 2,-0.4 23,-0.1 23,-0.2 -0.388 39.9-160.7 -63.7 126.9 64.5 3.1 24.8 33 33 A Y E - c 0 55A 39 21,-2.5 23,-3.0 20,-0.2 2,-0.5 -0.957 10.1-147.3-113.4 129.3 65.9 4.2 28.1 34 34 A V E - c 0 56A 12 -2,-0.4 -30,-1.9 -32,-0.2 -29,-1.6 -0.865 15.5-172.0-112.8 121.8 63.4 4.2 31.0 35 35 A I E -ac 5 57A 0 21,-3.3 23,-2.9 -2,-0.5 2,-0.5 -0.961 14.3-158.3-103.7 119.8 63.2 6.5 34.0 36 36 A Y E -ac 6 58A 61 -31,-2.6 -29,-3.2 -2,-0.5 2,-0.6 -0.878 1.1-159.2-100.6 126.5 60.6 5.4 36.6 37 37 A V E -ac 7 59A 0 21,-2.8 23,-0.6 -2,-0.5 -29,-0.2 -0.926 14.4-140.2-110.4 109.7 59.4 8.1 39.0 38 38 A K - 0 0 62 -31,-3.1 23,-0.0 -2,-0.6 -29,-0.0 -0.165 42.3 -65.5 -64.7 163.0 57.9 6.7 42.2 39 39 A R S S+ 0 0 175 26,-0.1 -30,-0.4 20,-0.1 26,-0.3 -0.088 87.8 87.7 -55.8 145.2 54.8 8.2 43.8 40 40 A G E S-l 65 0B 17 24,-2.3 26,-2.6 -3,-0.1 2,-0.5 -0.771 76.3 -85.9 145.9 167.8 55.1 11.7 45.1 41 41 A T E -l 66 0B 78 -2,-0.2 2,-0.6 24,-0.2 26,-0.2 -0.960 36.3-160.6-110.7 124.0 54.9 15.3 44.1 42 42 A Y E -l 67 0B 3 24,-3.3 26,-2.7 -2,-0.5 2,-1.5 -0.928 6.6-154.8-115.0 110.9 58.1 16.7 42.5 43 43 A K E +l 68 0B 194 -2,-0.6 2,-0.3 24,-0.2 26,-0.2 -0.682 51.5 114.5 -89.2 83.1 58.4 20.5 42.5 44 44 A E - 0 0 29 -2,-1.5 2,-0.6 24,-1.0 -2,-0.1 -0.991 64.0-128.7-150.5 154.1 60.8 21.0 39.6 45 45 A N - 0 0 78 -2,-0.3 2,-0.3 40,-0.0 40,-0.2 -0.954 37.5-166.9-103.8 113.1 61.0 22.4 36.1 46 46 A V E -t 85 0C 6 38,-2.3 40,-2.2 -2,-0.6 2,-0.4 -0.812 12.0-164.9-110.3 142.0 62.5 19.6 33.9 47 47 A E E -t 86 0C 107 -2,-0.3 2,-0.7 38,-0.2 40,-0.2 -0.990 8.8-161.9-127.0 131.8 63.9 19.8 30.4 48 48 A V E -t 87 0C 1 38,-2.8 40,-2.9 -2,-0.4 41,-1.2 -0.907 28.2-152.2-112.4 99.7 64.5 16.8 28.1 49 49 A A > - 0 0 31 -2,-0.7 3,-1.7 39,-0.2 40,-0.1 -0.060 28.1 -96.0 -76.8 174.1 66.9 18.2 25.5 50 50 A S T 3 S+ 0 0 42 1,-0.3 40,-0.5 39,-0.1 -22,-0.1 0.774 122.4 56.5 -62.9 -28.5 67.5 17.2 21.9 51 51 A N T 3 S+ 0 0 57 1,-0.2 -23,-2.6 38,-0.1 2,-1.5 0.675 86.9 83.5 -77.1 -17.5 70.4 15.0 22.8 52 52 A K S < S+ 0 0 22 -3,-1.7 3,-0.5 -25,-0.2 2,-0.2 -0.641 70.8 175.7 -88.9 82.0 68.2 13.0 25.3 53 53 A M + 0 0 39 -2,-1.5 -24,-0.4 1,-0.2 38,-0.2 -0.561 51.9 10.6 -93.5 148.8 66.7 10.7 22.7 54 54 A N S S+ 0 0 41 36,-3.2 -21,-2.5 -2,-0.2 2,-0.4 0.831 83.0 160.5 57.8 35.8 64.4 7.7 23.1 55 55 A L E -c 33 0A 2 -3,-0.5 38,-2.3 35,-0.3 2,-0.5 -0.780 25.8-161.2 -91.3 131.2 63.8 8.6 26.8 56 56 A M E -cd 34 93A 11 -23,-3.0 -21,-3.3 -2,-0.4 2,-0.6 -0.963 2.6-168.0-110.4 122.6 60.7 7.2 28.6 57 57 A I E +cd 35 94A 0 36,-2.7 38,-2.2 -2,-0.5 2,-0.4 -0.966 16.1 176.0-108.8 117.7 59.6 8.9 31.8 58 58 A V E -cd 36 95A 18 -23,-2.9 -21,-2.8 -2,-0.6 38,-0.2 -0.988 9.4-165.8-129.7 131.1 57.1 6.8 33.6 59 59 A G E -c 37 0A 5 36,-2.2 -21,-0.2 -2,-0.4 38,-0.2 -0.248 40.5 -92.9 -99.3-166.6 55.4 7.4 36.9 60 60 A D S S- 0 0 53 -23,-0.6 37,-0.2 1,-0.4 2,-0.1 0.218 95.7 -43.6 -92.5 11.6 53.4 5.3 39.3 61 61 A G >> - 0 0 19 35,-2.4 4,-2.2 34,-0.2 3,-0.6 -0.350 62.0 -90.6 128.0 146.3 50.1 6.4 37.8 62 62 A M T 34 S+ 0 0 28 1,-0.3 64,-0.1 62,-0.2 35,-0.1 0.637 127.7 40.0 -65.2 -17.9 48.6 9.7 36.6 63 63 A Y T 34 S+ 0 0 178 -3,-0.1 -1,-0.3 33,-0.1 -2,-0.1 0.663 117.8 48.7 -96.1 -21.3 47.1 10.4 40.1 64 64 A A T <4 S+ 0 0 38 -3,-0.6 -24,-2.3 1,-0.2 2,-0.5 0.744 106.6 48.1 -94.4 -34.3 50.1 9.2 42.1 65 65 A T E < +l 40 0B 0 -4,-2.2 33,-2.6 -26,-0.3 2,-0.4 -0.976 66.8 178.0-115.9 122.7 53.2 10.8 40.5 66 66 A T E -lm 41 98B 10 -26,-2.6 -24,-3.3 -2,-0.5 2,-0.5 -0.988 20.8-161.9-128.9 129.9 53.1 14.6 39.8 67 67 A I E -lm 42 99B 0 31,-2.7 33,-2.5 -2,-0.4 2,-0.3 -0.961 30.0-175.1-102.6 126.1 55.7 17.0 38.4 68 68 A T E +lm 43 100B 9 -26,-2.7 -24,-1.0 -2,-0.5 2,-0.3 -0.914 18.8 149.6-132.6 149.9 54.7 20.5 39.4 69 69 A G E - m 0 101B 8 31,-1.1 33,-2.5 -2,-0.3 34,-0.3 -0.926 29.7-146.6-159.6 178.2 55.7 24.1 38.8 70 70 A S + 0 0 62 -2,-0.3 31,-0.1 31,-0.2 13,-0.1 0.151 38.4 145.2-147.4 22.2 54.2 27.6 38.5 71 71 A L + 0 0 73 11,-0.4 2,-0.3 40,-0.1 32,-0.2 -0.351 25.3 165.3 -65.9 148.7 56.1 29.6 36.0 72 72 A N > - 0 0 4 38,-0.1 5,-2.3 1,-0.1 38,-0.2 -0.982 49.9-106.5-165.2 162.3 53.9 32.0 34.1 73 73 A V T > 5S+ 0 0 37 36,-2.3 3,-1.3 34,-0.5 35,-0.2 0.852 112.0 60.0 -71.6 -36.8 53.8 35.1 31.8 74 74 A V T 3 5S+ 0 0 73 33,-1.6 -1,-0.2 1,-0.3 34,-0.1 0.897 106.3 48.3 -59.4 -37.3 52.5 37.5 34.4 75 75 A D T 3 5S- 0 0 103 32,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.391 132.3 -88.7 -88.0 0.9 55.6 36.9 36.6 76 76 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 1,-0.4 2,-0.2 0.455 83.6 127.9 110.6 3.2 58.0 37.4 33.7 77 77 A S < - 0 0 28 -5,-2.3 -1,-0.4 1,-0.1 2,-0.2 -0.555 58.1-119.7 -77.6 151.9 58.4 34.0 32.0 78 78 A T - 0 0 11 -2,-0.2 4,-0.5 310,-0.1 358,-0.1 -0.571 27.7-114.3 -74.6 157.1 57.8 33.5 28.3 79 79 A T S > S+ 0 0 29 -2,-0.2 3,-1.4 1,-0.2 4,-0.4 0.935 117.3 54.7 -53.2 -48.8 55.1 31.0 27.4 80 80 A F G > S+ 0 0 3 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.876 113.7 39.5 -56.9 -42.8 57.8 28.8 25.8 81 81 A R G 3 S+ 0 0 106 1,-0.2 -1,-0.3 307,-0.1 -2,-0.2 0.336 96.2 82.3 -93.4 5.9 59.9 28.7 29.0 82 82 A S G < + 0 0 0 -3,-1.4 -11,-0.4 -4,-0.5 -1,-0.2 0.593 63.1 122.5 -82.0 -12.7 56.9 28.5 31.5 83 83 A A < - 0 0 8 -3,-0.6 29,-0.2 -4,-0.4 3,-0.2 -0.232 57.0-150.6 -58.5 130.7 56.6 24.7 31.0 84 84 A T S S+ 0 0 0 27,-1.1 -38,-2.3 28,-0.8 2,-0.4 0.947 95.0 17.4 -58.5 -49.4 56.8 22.5 34.1 85 85 A L E S-tu 46 113C 0 27,-2.2 29,-2.5 -40,-0.2 2,-0.4 -0.997 74.2-177.3-126.8 132.0 58.2 19.8 31.8 86 86 A A E -tu 47 114C 6 -40,-2.2 -38,-2.8 -2,-0.4 2,-0.4 -0.992 4.2-176.6-127.9 133.0 59.6 20.5 28.3 87 87 A A E +tu 48 115C 0 27,-2.3 29,-3.0 -2,-0.4 30,-0.4 -0.991 24.3 152.4-138.0 128.4 60.8 17.8 25.9 88 88 A V + 0 0 19 -40,-2.9 30,-0.5 -2,-0.4 2,-0.3 0.427 39.0 121.1-126.8 -7.0 62.3 18.0 22.5 89 89 A G S > S- 0 0 0 -41,-1.2 3,-1.4 28,-0.2 -34,-0.2 -0.455 72.9-106.2 -65.8 121.6 64.4 14.8 22.5 90 90 A Q T 3 S+ 0 0 43 -40,-0.5 -36,-3.2 -2,-0.3 -35,-0.3 -0.120 100.9 19.9 -48.5 137.9 63.3 12.5 19.6 91 91 A G T 3 S+ 0 0 12 27,-2.9 -1,-0.2 1,-0.2 28,-0.1 0.534 83.5 170.8 78.8 8.4 61.3 9.5 20.5 92 92 A F < - 0 0 0 -3,-1.4 29,-2.1 26,-0.3 2,-0.4 -0.195 13.7-166.7 -50.8 135.3 60.2 10.8 24.0 93 93 A I E -de 56 121A 10 -38,-2.3 -36,-2.7 27,-0.2 2,-0.4 -1.000 5.8-172.2-128.5 129.8 57.6 8.8 25.8 94 94 A L E +de 57 122A 0 27,-2.6 29,-3.1 -2,-0.4 2,-0.3 -0.985 17.9 167.4-121.5 133.3 55.7 10.1 28.8 95 95 A Q E +de 58 123A 29 -38,-2.2 -36,-2.2 -2,-0.4 29,-0.2 -1.000 46.9 2.6-153.8 145.3 53.5 7.8 30.8 96 96 A D S S+ 0 0 32 27,-1.4 -35,-2.4 28,-0.4 2,-0.3 0.861 97.7 104.9 51.6 49.5 51.5 7.2 34.0 97 97 A I - 0 0 0 27,-0.5 29,-1.9 26,-0.2 2,-0.4 -0.979 64.7-126.2-155.2 154.9 52.3 10.6 35.4 98 98 A C E -mn 66 126B 0 -33,-2.6 -31,-2.7 -2,-0.3 2,-0.5 -0.930 15.3-167.7-108.7 133.4 50.8 14.1 36.0 99 99 A I E +mn 67 127B 0 27,-2.2 29,-2.3 -2,-0.4 2,-0.3 -0.997 22.0 174.6-114.6 126.9 52.4 17.3 34.7 100 100 A Q E -mn 68 128B 36 -33,-2.5 -31,-1.1 -2,-0.5 2,-0.4 -0.960 32.1-158.1-137.3 151.2 50.9 20.4 36.2 101 101 A N E -m 69 0B 2 27,-2.2 3,-0.4 -2,-0.3 -31,-0.2 -0.990 9.4-171.7-123.7 118.7 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+ 0 0 8 -37,-0.1 -22,-1.0 -23,-0.1 2,-0.5 0.747 67.4 100.9 -61.6 -24.1 29.5 22.8 27.3 240 240 A I B < S-z 217 0C 6 -3,-1.7 -22,-0.2 -38,-0.2 5,-0.1 -0.529 81.6-120.1 -74.4 116.0 30.4 23.3 23.6 241 241 A N > - 0 0 43 -24,-2.8 3,-2.0 -2,-0.5 -22,-0.2 -0.208 18.1-119.5 -49.7 136.2 28.9 26.6 22.4 242 242 A P T 3 S+ 0 0 76 0, 0.0 31,-0.3 0, 0.0 -1,-0.1 0.810 116.0 59.7 -47.2 -37.2 26.5 26.2 19.5 243 243 A A T 3 S- 0 0 24 31,-0.2 32,-2.1 1,-0.1 2,-1.5 0.731 92.4-158.1 -63.9 -26.7 28.8 28.4 17.3 244 244 A G < + 0 0 0 -3,-2.0 -25,-3.1 30,-0.2 -24,-0.5 -0.207 63.1 43.5 84.4 -46.8 31.4 25.7 17.9 245 245 A W S S- 0 0 2 -2,-1.5 2,-0.3 -27,-0.2 -24,-0.2 -0.908 72.3-139.5-135.6 154.6 34.4 27.9 17.2 246 246 A A - 0 0 9 -26,-2.6 2,-0.1 -2,-0.3 -28,-0.0 -0.877 20.8-107.0-121.9 150.3 35.4 31.5 18.2 247 247 A E - 0 0 107 -2,-0.3 4,-0.1 -26,-0.2 3,-0.1 -0.361 14.6-157.4 -63.8 148.3 37.1 34.4 16.5 248 248 A W S S- 0 0 86 4,-0.4 2,-0.2 2,-0.3 -1,-0.1 0.843 86.2 -12.7 -86.0 -53.3 40.6 35.3 17.4 249 249 A D S > S- 0 0 122 1,-0.4 3,-2.0 3,-0.3 -1,-0.1 -0.696 108.2 -71.0-154.5 91.6 40.4 38.9 16.3 250 250 A G T 3 S- 0 0 35 1,-0.2 -1,-0.4 -2,-0.2 -2,-0.3 -0.321 113.2 -11.9 54.8-126.2 37.4 39.8 14.2 251 251 A D T > S+ 0 0 138 -4,-0.1 3,-1.4 -3,-0.1 4,-0.4 0.305 93.0 139.8 -91.7 8.7 37.7 38.3 10.7 252 252 A F T < S- 0 0 69 -3,-2.0 -4,-0.4 1,-0.2 -3,-0.3 -0.318 80.0 -7.7 -50.7 125.7 41.4 37.3 11.0 253 253 A A T >> S+ 0 0 9 1,-0.1 4,-2.8 -6,-0.1 3,-0.7 0.296 91.9 126.4 77.3 -6.2 42.0 33.8 9.5 254 254 A L T <4 S+ 0 0 18 -3,-1.4 25,-2.1 1,-0.3 26,-0.2 0.760 79.7 37.3 -66.7 -23.5 38.3 33.0 8.9 255 255 A K T 34 S+ 0 0 174 -4,-0.4 -1,-0.3 23,-0.2 -3,-0.1 0.668 123.2 41.4 -92.1 -22.3 38.8 32.3 5.2 256 256 A T T <4 S+ 0 0 42 -3,-0.7 -2,-0.2 -31,-0.2 -1,-0.1 0.623 92.5 90.1-106.8 -20.4 42.2 30.5 5.5 257 257 A L < - 0 0 4 -4,-2.8 2,-0.4 -31,-0.1 -29,-0.2 -0.313 64.9-144.8 -65.2 160.9 41.8 28.4 8.6 258 258 A Y E +j 228 0A 54 -31,-2.7 -29,-1.9 -32,-0.1 2,-0.5 -0.888 24.7 168.8-132.1 104.0 40.5 24.8 8.2 259 259 A Y E -jk 229 280A 0 20,-2.3 22,-3.0 -2,-0.4 2,-0.3 -0.973 12.0-179.7-114.8 125.5 38.3 23.7 11.1 260 260 A G E -jk 230 281A 0 -31,-2.1 -29,-2.4 -2,-0.5 2,-0.4 -0.938 20.7-163.9-130.1 149.2 36.4 20.4 10.6 261 261 A E E -jk 231 282A 4 20,-1.7 22,-2.7 -2,-0.3 2,-0.4 -0.999 12.4-177.5-129.3 132.0 34.0 18.2 12.4 262 262 A F E -jk 232 283A 0 -31,-1.5 -29,-2.7 -2,-0.4 -28,-0.2 -0.971 62.9 -28.4-134.8 114.2 33.3 14.6 11.3 263 263 A M S S+ 0 0 105 20,-0.5 -31,-0.1 -2,-0.4 2,-0.1 0.801 79.2 164.1 56.5 39.9 30.8 12.2 12.9 264 264 A N - 0 0 28 -31,-0.2 2,-0.3 5,-0.2 -29,-0.2 -0.405 17.2-160.3 -78.1 163.2 30.8 13.6 16.4 265 265 A N B +s 235 0B 86 -31,-2.8 -29,-2.7 -2,-0.1 3,-0.2 -0.855 36.9 68.6-138.1 172.0 28.1 12.7 19.0 266 266 A G S > S- 0 0 30 -2,-0.3 3,-1.9 -31,-0.2 4,-0.3 -0.233 91.8 -57.9 100.9 169.3 26.7 14.0 22.2 267 267 A P T 3 S+ 0 0 100 0, 0.0 3,-0.2 0, 0.0 -30,-0.2 0.669 133.1 46.0 -63.5 -20.5 24.7 17.1 23.3 268 268 A G T 3 S+ 0 0 8 -32,-2.8 -31,-0.2 -3,-0.2 -2,-0.1 0.323 90.5 86.1 -99.9 7.6 27.2 19.6 21.9 269 269 A A < + 0 0 14 -3,-1.9 -5,-0.2 -33,-0.4 -1,-0.1 0.576 55.1 114.8 -88.1 -13.7 27.8 17.9 18.5 270 270 A G - 0 0 55 -4,-0.3 3,-0.2 -3,-0.2 -5,-0.0 -0.357 44.6-168.5 -59.0 136.5 24.9 19.5 16.6 271 271 A T > + 0 0 51 1,-0.1 3,-1.4 2,-0.1 -1,-0.1 0.368 56.6 101.3-112.1 5.1 26.3 21.7 13.8 272 272 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 0, 0.0 -29,-0.1 0.682 91.1 39.1 -70.7 -17.2 23.2 23.6 12.6 273 273 A K T 3 S+ 0 0 155 -31,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.176 89.2 128.9-116.8 20.2 24.1 26.8 14.5 274 274 A R S < S- 0 0 12 -3,-1.4 -31,-0.2 1,-0.1 -30,-0.2 -0.208 71.6 -78.6 -66.9 160.3 27.9 26.7 13.8 275 275 A V - 0 0 26 -32,-2.1 -1,-0.1 1,-0.1 -29,-0.0 -0.183 33.6-139.0 -51.3 152.6 29.9 29.6 12.5 276 276 A K + 0 0 188 -3,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.063 47.6 148.6-107.3 23.1 29.5 30.1 8.7 277 277 A W > - 0 0 26 1,-0.1 3,-1.7 2,-0.1 -22,-0.1 -0.270 56.7-126.3 -59.6 141.0 33.2 30.9 8.1 278 278 A P T 3 S+ 0 0 84 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 0.854 112.5 56.1 -53.3 -35.0 34.5 29.7 4.7 279 279 A G T 3 S+ 0 0 2 -25,-2.1 -20,-2.3 -21,-0.1 2,-0.4 0.515 89.5 89.9 -78.5 -8.6 37.2 27.9 6.6 280 280 A Y E < -k 259 0A 21 -3,-1.7 2,-0.4 -22,-0.2 -20,-0.2 -0.805 58.6-173.0 -92.4 133.8 34.7 25.9 8.7 281 281 A H E -k 260 0A 70 -22,-3.0 -20,-1.7 -2,-0.4 2,-0.8 -0.973 27.5-150.9-134.8 120.9 33.6 22.5 7.3 282 282 A V E -k 261 0A 76 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.823 34.1-147.6 -78.1 110.6 31.0 20.0 8.4 283 283 A I E +k 262 0A 9 -22,-2.7 -20,-0.5 -2,-0.8 -2,-0.0 -0.788 38.3 154.9 -89.8 120.3 32.8 16.9 7.0 284 284 A T + 0 0 108 -2,-0.6 -1,-0.2 -22,-0.1 -22,-0.1 0.592 55.6 83.4-108.0 -25.0 30.5 14.1 5.7 285 285 A D >> - 0 0 71 1,-0.1 3,-1.8 2,-0.0 4,-0.7 -0.733 68.4-150.0 -86.8 116.8 33.0 12.5 3.2 286 286 A P H >> S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.768 95.2 64.7 -55.8 -31.2 35.4 10.1 4.9 287 287 A A H 34 S+ 0 0 67 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.752 101.2 50.9 -63.7 -26.5 38.1 10.9 2.3 288 288 A K H <4 S+ 0 0 131 -3,-1.8 -1,-0.2 1,-0.2 4,-0.0 0.653 111.2 47.7 -83.5 -19.5 38.2 14.4 3.7 289 289 A A H X< S+ 0 0 0 -4,-0.7 3,-1.9 -3,-0.5 -2,-0.2 0.704 94.1 79.7 -84.7 -24.3 38.6 13.2 7.3 290 290 A M G >< S+ 0 0 58 -4,-1.5 3,-1.9 1,-0.3 6,-0.4 0.796 78.5 65.8 -60.7 -36.3 41.4 10.7 6.3 291 291 A P G 3 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 99.1 56.6 -57.0 -17.0 44.2 13.3 6.2 292 292 A F G < S+ 0 0 6 -3,-1.9 -2,-0.2 4,-0.1 -62,-0.1 0.287 85.1 106.8-103.1 10.6 43.7 13.8 10.0 293 293 A T S <>>S- 0 0 0 -3,-1.9 4,-3.0 -4,-0.1 5,-0.6 -0.320 85.9-105.9 -82.8 166.1 44.3 10.1 10.9 294 294 A V H >5S+ 0 0 0 18,-0.4 6,-2.3 20,-0.3 4,-1.1 0.907 120.3 54.9 -56.1 -43.5 47.3 8.7 12.7 295 295 A A H 45S+ 0 0 28 18,-2.0 4,-0.3 4,-0.2 -1,-0.2 0.900 120.4 26.9 -58.4 -44.1 48.4 7.2 9.4 296 296 A K H 45S+ 0 0 124 -6,-0.4 -2,-0.2 17,-0.3 -1,-0.2 0.854 123.7 42.4 -94.2 -38.7 48.3 10.4 7.3 297 297 A L H <5S+ 0 0 9 -4,-3.0 -3,-0.2 -7,-0.2 -2,-0.1 0.877 133.7 14.6 -82.1 -37.4 48.9 13.3 9.8 298 298 A I S < + 0 0 33 -4,-0.3 3,-0.8 -6,-0.2 4,-0.3 0.880 47.3 176.0 45.1 43.5 52.9 8.8 9.7 300 300 A G T >> + 0 0 0 -6,-2.3 4,-3.9 1,-0.3 3,-1.7 0.756 57.0 58.6 -63.3 -39.7 52.2 6.9 13.0 301 301 A G H 3> S+ 0 0 11 1,-0.3 4,-1.2 2,-0.2 5,-0.3 0.890 93.2 68.2 -58.3 -41.6 52.8 3.3 12.2 302 302 A S H <4 S+ 0 0 83 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.631 126.6 8.3 -54.1 -17.0 56.4 3.8 11.1 303 303 A W H <4 S+ 0 0 19 -3,-1.7 4,-0.3 -4,-0.3 -2,-0.2 0.504 117.5 69.9-137.1 -18.4 57.2 4.7 14.7 304 304 A L H >X S+ 0 0 0 -4,-3.9 3,-2.0 1,-0.2 4,-0.6 0.900 88.8 65.5 -73.8 -35.5 54.2 3.9 16.9 305 305 A R G >< S+ 0 0 169 -4,-1.2 3,-0.8 -5,-0.3 -1,-0.2 0.840 97.8 54.2 -59.5 -32.8 54.4 0.1 16.7 306 306 A S G 34 S+ 0 0 109 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.575 98.6 64.8 -79.5 -6.9 57.7 -0.0 18.5 307 307 A T G <4 S- 0 0 22 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.714 97.7-131.9 -81.2 -25.0 56.4 1.9 21.5 308 308 A G << + 0 0 72 -3,-0.8 -3,-0.1 -4,-0.6 -2,-0.1 0.191 60.4 135.1 88.5 -15.8 53.9 -0.7 22.6 309 309 A V - 0 0 16 -5,-0.4 -1,-0.3 1,-0.1 2,-0.2 -0.283 60.1-109.5 -65.1 147.7 51.1 1.9 22.9 310 310 A A + 0 0 51 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.584 45.6 166.1 -72.8 139.8 47.6 1.2 21.5 311 311 A Y - 0 0 67 -2,-0.2 2,-0.5 -167,-0.0 -167,-0.0 -0.981 35.9-135.3-151.1 150.1 46.6 3.2 18.5 312 312 A V - 0 0 30 -2,-0.3 -18,-0.4 1,-0.1 -17,-0.1 -0.933 17.1-161.0 -97.9 126.6 43.9 3.2 15.8 313 313 A D + 0 0 74 -2,-0.5 -18,-2.0 -19,-0.1 -17,-0.3 0.808 65.7 27.8 -77.2 -36.0 45.5 3.8 12.4 314 314 A G S S- 0 0 24 2,-0.2 -20,-0.3 -20,-0.1 -2,-0.1 -0.045 100.0 -66.5-113.0-150.6 42.5 4.9 10.4 315 315 A L S S+ 0 0 13 -22,-0.1 2,-0.4 -2,-0.1 -3,-0.0 0.746 97.1 63.1 -80.7 -32.1 39.1 6.6 10.8 316 316 A Y 0 0 134 1,-0.1 -2,-0.2 -117,-0.0 -3,-0.1 -0.847 360.0 360.0-118.4 140.9 36.9 4.2 12.8 317 317 A D 0 0 127 -2,-0.4 -1,-0.1 -5,-0.1 -2,-0.0 0.199 360.0 360.0 -73.2 360.0 37.0 2.7 16.3 318 !* 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 0.0 319 0 B F 0 0 253 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 144.0 66.9 28.6 -19.9 320 1 B E - 0 0 106 1,-0.1 2,-0.2 2,-0.1 5,-0.1 -0.352 360.0 -84.7 -55.0 140.4 66.2 29.4 -16.2 321 2 B N >> - 0 0 13 1,-0.2 3,-1.4 2,-0.1 4,-0.6 -0.383 37.9-145.5 -48.2 114.2 65.6 26.2 -14.2 322 3 B H H >> S+ 0 0 124 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.766 95.4 69.6 -59.2 -25.8 61.9 25.6 -14.9 323 4 B L H >> S+ 0 0 20 1,-0.2 3,-1.2 2,-0.2 4,-1.2 0.834 87.7 64.4 -62.6 -32.4 61.6 24.2 -11.3 324 5 B I H <> S+ 0 0 4 -3,-1.4 4,-1.8 1,-0.3 3,-0.3 0.855 95.4 58.7 -59.0 -35.7 62.2 27.8 -10.0 325 6 B S H << S+ 0 0 72 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.704 108.9 44.8 -68.6 -19.8 58.9 28.8 -11.6 326 7 B E H << S+ 0 0 73 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.653 119.7 40.2 -90.0 -21.3 57.1 26.2 -9.5 327 8 B I H >< S+ 0 0 0 -4,-1.2 3,-1.5 -3,-0.3 4,-0.5 0.927 108.5 49.4 -92.8 -62.0 58.9 27.0 -6.2 328 9 B a G >< S+ 0 0 8 -4,-1.8 3,-1.7 1,-0.3 9,-0.1 0.860 106.0 54.8 -57.5 -45.6 59.3 30.7 -5.8 329 10 B P G 3 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 106.7 54.3 -58.5 -23.9 55.7 31.8 -6.5 330 11 B K G < S+ 0 0 106 -3,-1.5 -2,-0.2 -4,-0.2 2,-0.2 0.493 94.1 88.0 -86.7 -8.9 54.4 29.4 -3.8 331 12 B T S < S- 0 0 9 -3,-1.7 125,-0.1 -4,-0.5 126,-0.1 -0.510 86.0-118.9 -87.3 164.8 56.7 30.8 -1.1 332 13 B R S S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 124,-0.1 0.679 110.8 35.5 -77.2 -16.4 55.8 33.7 1.1 333 14 B N > + 0 0 52 123,-0.2 4,-2.5 -5,-0.1 -1,-0.3 -0.683 65.4 172.2-135.2 80.4 58.7 35.8 -0.2 334 15 B P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.809 79.3 57.2 -57.1 -33.4 59.2 35.0 -3.9 335 16 B S H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.930 110.4 42.9 -64.8 -44.1 61.8 37.8 -4.3 336 17 B L H > S+ 0 0 26 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 111.5 55.1 -68.2 -42.8 64.0 36.3 -1.6 337 18 B a H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 109.7 46.9 -52.8 -50.1 63.4 32.8 -3.0 338 19 B L H X S+ 0 0 59 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.929 111.7 50.2 -59.3 -47.8 64.7 33.9 -6.4 339 20 B Q H X S+ 0 0 135 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.913 113.5 46.8 -57.5 -42.4 67.7 35.6 -5.0 340 21 B A H >< S+ 0 0 12 -4,-2.7 3,-0.6 2,-0.2 -2,-0.2 0.929 115.6 42.7 -68.2 -48.1 68.6 32.5 -2.9 341 22 B L H >< S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.869 111.8 54.6 -68.9 -35.8 68.2 30.0 -5.8 342 23 B E H 3< S+ 0 0 118 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.637 92.4 73.6 -72.2 -13.3 70.0 32.3 -8.3 343 24 B S T << S+ 0 0 72 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.564 76.7 92.7 -76.8 -8.4 72.9 32.4 -5.9 344 25 B D X - 0 0 12 -3,-1.4 3,-1.5 -4,-0.2 4,-0.2 -0.790 67.4-156.2 -83.3 111.1 73.7 28.8 -7.0 345 26 B P T 3 S+ 0 0 126 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.789 96.1 45.6 -59.6 -19.4 76.2 29.0 -9.9 346 27 B R T >> S+ 0 0 184 1,-0.2 3,-2.4 2,-0.1 4,-0.5 0.434 72.1 128.9-115.6 31.1 75.0 25.6 -10.9 347 28 B S G X4 + 0 0 17 -3,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.685 67.4 58.0 -51.5 -47.3 71.3 26.2 -10.5 348 29 B A G 34 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.2 -26,-0.1 0.756 102.3 54.9 -64.7 -26.1 70.4 24.8 -14.0 349 30 B S G <4 S+ 0 0 95 -3,-2.4 2,-0.3 -28,-0.1 -1,-0.3 0.482 90.1 102.7 -82.0 -2.5 71.9 21.4 -13.3 350 31 B K << - 0 0 55 -3,-1.8 -27,-0.2 -4,-0.5 2,-0.1 -0.648 53.7-159.3 -92.2 135.2 69.8 20.9 -10.1 351 32 B D > - 0 0 102 -2,-0.3 4,-2.5 -28,-0.0 5,-0.3 -0.339 48.8 -81.1 -91.1-175.4 66.7 18.7 -9.8 352 33 B L H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.908 132.9 50.1 -56.2 -43.3 64.1 19.1 -7.0 353 34 B K H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 110.6 49.6 -61.6 -44.5 66.3 17.2 -4.6 354 35 B G H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 111.2 47.8 -60.2 -43.2 69.3 19.3 -5.4 355 36 B L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 111.0 55.1 -64.7 -38.5 67.4 22.6 -5.0 356 37 B G H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.919 107.8 45.7 -56.9 -51.1 66.1 21.1 -1.7 357 38 B Q H X S+ 0 0 39 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.892 113.9 50.1 -63.4 -37.7 69.6 20.4 -0.3 358 39 B F H X S+ 0 0 39 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.928 111.0 48.9 -65.1 -43.7 70.8 23.9 -1.4 359 40 B S H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.872 109.6 51.0 -69.8 -34.5 67.8 25.5 0.3 360 41 B I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.953 109.2 52.4 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34.5 14.0 371 52 B S H X S+ 0 0 39 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.897 107.2 46.3 -53.8 -40.8 72.0 32.4 16.9 372 53 B K H X S+ 0 0 155 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.869 108.8 54.4 -72.0 -36.6 75.1 34.6 17.2 373 54 B I H X S+ 0 0 25 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 109.8 47.6 -60.3 -44.3 73.1 37.7 16.8 374 55 B I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.922 109.6 52.1 -65.0 -44.1 70.9 36.6 19.7 375 56 B A H X S+ 0 0 57 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.922 111.0 49.4 -57.3 -40.7 74.0 35.8 21.8 376 57 B S H < S+ 0 0 74 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.910 110.3 49.0 -67.6 -41.7 75.3 39.3 21.1 377 58 B L H >< S+ 0 0 13 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.876 112.1 49.6 -63.3 -40.6 72.0 41.0 22.1 378 59 B T H >< S+ 0 0 32 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.892 102.6 61.7 -60.1 -45.4 71.9 39.0 25.3 379 60 B N T 3< S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.572 109.1 42.0 -64.3 -12.4 75.5 40.0 26.1 380 61 B Q T < S+ 0 0 149 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 0.245 99.4 93.9-115.1 8.7 74.5 43.7 26.2 381 62 B A < + 0 0 18 -3,-1.9 -3,-0.0 1,-0.1 -4,-0.0 -0.801 34.4 166.8-105.8 145.1 71.2 43.2 28.1 382 63 B T + 0 0 131 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 0.531 48.2 105.3-123.0 -22.0 70.6 43.4 31.9 383 64 B D > - 0 0 74 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.487 64.7-144.6 -66.3 117.4 66.8 43.6 32.0 384 65 B P H > S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.823 95.9 50.4 -54.0 -37.7 65.7 40.1 33.3 385 66 B K H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.928 112.7 46.1 -68.2 -44.9 62.5 40.0 31.2 386 67 B L H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 111.5 52.2 -61.9 -44.3 64.3 41.0 28.0 387 68 B K H X S+ 0 0 90 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.852 106.9 53.6 -61.3 -36.9 67.0 38.4 28.7 388 69 B G H X S+ 0 0 12 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.838 107.9 50.7 -66.3 -35.2 64.4 35.7 29.2 389 70 B R H X S+ 0 0 18 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.933 111.8 46.8 -66.4 -45.7 63.0 36.6 25.7 390 71 B Y H X S+ 0 0 13 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.866 110.1 53.4 -63.2 -36.3 66.4 36.3 24.2 391 72 B E H X S+ 0 0 72 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.903 108.7 49.4 -68.7 -36.9 67.0 33.0 26.0 392 73 B T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.933 111.7 49.1 -63.3 -46.0 63.8 31.6 24.5 393 74 B b H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 110.4 51.8 -57.6 -45.1 64.8 32.8 21.1 394 75 B S H X S+ 0 0 33 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.901 109.5 47.9 -59.8 -45.4 68.2 31.2 21.6 395 76 B E H X S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.911 112.7 50.1 -63.3 -41.0 66.7 27.8 22.6 396 77 B N H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.889 110.4 48.3 -65.4 -40.5 64.3 27.9 19.6 397 78 B Y H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.870 108.8 54.7 -69.1 -34.2 67.1 28.7 17.1 398 79 B A H X S+ 0 0 44 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 111.5 44.5 -63.3 -43.5 69.2 25.9 18.6 399 80 B D H X S+ 0 0 43 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.905 111.5 53.6 -66.1 -42.2 66.3 23.5 17.9 400 81 B A H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.897 108.2 49.9 -58.5 -42.6 65.8 25.0 14.4 401 82 B I H X S+ 0 0 29 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 112.3 47.9 -62.3 -44.8 69.5 24.4 13.6 402 83 B D H X S+ 0 0 78 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.900 112.0 49.5 -61.0 -43.2 69.2 20.8 14.8 403 84 B S H X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.873 109.8 49.8 -68.8 -37.8 66.0 20.2 12.8 404 85 B L H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.869 106.7 57.0 -69.0 -35.1 67.4 21.6 9.6 405 86 B G H X S+ 0 0 26 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.917 110.6 43.5 -56.9 -43.9 70.4 19.3 10.1 406 87 B Q H X S+ 0 0 57 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.805 102.3 68.2 -73.5 -31.2 68.1 16.3 10.2 407 88 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.869 94.6 57.8 -54.2 -39.4 66.1 17.7 7.3 408 89 B K H X S+ 0 0 57 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.919 107.4 46.0 -58.3 -44.9 69.1 17.0 5.0 409 90 B Q H X S+ 0 0 123 -4,-0.7 4,-2.1 -3,-0.3 -1,-0.2 0.882 111.3 52.1 -67.8 -38.7 69.2 13.3 5.9 410 91 B F H X>S+ 0 0 33 -4,-2.0 5,-2.4 2,-0.2 4,-0.8 0.905 109.1 49.9 -64.3 -41.0 65.4 12.9 5.4 411 92 B L H ><5S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.939 110.7 50.2 -63.2 -44.5 65.7 14.5 1.9 412 93 B T H 3<5S+ 0 0 92 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 111.8 48.1 -58.0 -40.7 68.5 12.1 1.0 413 94 B S H 3<5S- 0 0 102 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.586 114.8-116.3 -80.3 -9.4 66.5 9.1 2.2 414 95 B G T <<5 + 0 0 31 -3,-0.9 2,-1.3 -4,-0.8 -3,-0.2 0.694 68.6 140.8 80.4 18.0 63.4 10.3 0.3 415 96 B D >< + 0 0 60 -5,-2.4 4,-1.9 -6,-0.2 -1,-0.2 -0.659 16.3 165.3 -93.2 82.0 61.3 10.8 3.5 416 97 B Y H > + 0 0 47 -2,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.745 69.5 60.8 -75.0 -23.8 59.5 13.9 2.3 417 98 B N H > S+ 0 0 94 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.953 109.1 42.6 -66.8 -45.9 56.9 13.7 5.1 418 99 B S H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.884 110.5 57.8 -66.8 -36.8 59.7 14.0 7.7 419 100 B L H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.939 107.7 46.8 -58.0 -46.6 61.4 16.7 5.7 420 101 B N H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.967 112.2 49.8 -60.5 -51.0 58.2 18.8 5.8 421 102 B I H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -282,-0.4 0.884 113.7 44.9 -54.4 -45.3 57.7 18.3 9.6 422 103 B Y H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.894 114.2 48.1 -73.8 -37.5 61.3 19.2 10.4 423 104 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.865 111.1 52.8 -66.1 -34.7 61.3 22.3 8.1 424 105 B S H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.894 109.1 49.1 -64.6 -39.8 58.0 23.3 9.7 425 106 B A H X S+ 0 0 7 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.896 110.8 49.8 -66.8 -40.6 59.6 23.0 13.2 426 107 B A H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-1.0 0.947 108.6 52.5 -62.3 -50.8 62.6 25.1 12.1 427 108 B F H >X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.3 3,-0.5 0.888 107.5 53.8 -45.6 -46.9 60.2 27.8 10.7 428 109 B D H 3X S+ 0 0 11 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.609 93.4 69.3 -73.5 -16.7 58.4 27.8 14.0 429 110 B G H X S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 4,-0.5 0.968 112.0 47.9 -57.3 -50.1 61.0 34.0 19.0 434 115 B E H >< S+ 0 0 43 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.898 110.1 50.7 -56.3 -48.6 58.5 36.5 17.4 435 116 B D H 3< S+ 0 0 35 -4,-2.6 3,-0.4 1,-0.2 -1,-0.3 0.753 101.8 63.2 -62.4 -27.3 55.6 35.4 19.6 436 117 B S H << S+ 0 0 16 -4,-1.4 2,-0.3 -3,-0.6 -1,-0.2 0.616 92.3 66.4 -75.1 -13.8 57.8 35.8 22.7 437 118 B F << + 0 0 18 -3,-1.3 2,-0.7 -4,-0.5 6,-0.4 -0.335 65.9 143.8-103.3 51.4 58.1 39.6 22.1 438 119 B E - 0 0 130 -3,-0.4 -3,-0.0 -2,-0.3 4,-0.0 -0.823 68.5 -13.0 -97.6 118.3 54.5 40.5 22.7 439 120 B G S S+ 0 0 41 -2,-0.7 4,-0.1 4,-0.0 0, 0.0 -0.191 111.1 7.0 78.5 179.0 54.3 43.9 24.3 440 121 B P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.390 100.9 58.8 -67.2 152.8 57.4 45.5 25.8 441 122 B P S S- 0 0 31 0, 0.0 -52,-0.0 0, 0.0 0, 0.0 0.415 92.7-143.4 -75.2 133.9 60.2 45.1 26.0 442 123 B N - 0 0 121 1,-0.1 -4,-0.1 -2,-0.1 3,-0.1 -0.193 16.4 -99.2 -71.8 154.5 60.0 45.3 22.2 443 124 B I - 0 0 39 -6,-0.4 2,-0.2 -9,-0.1 -1,-0.1 -0.416 38.0-109.3 -71.1 140.3 62.0 43.2 19.8 444 125 B P >> - 0 0 32 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.505 24.3-125.2 -63.4 136.3 65.1 44.7 18.2 445 126 B T H 3> S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 109.8 60.6 -49.2 -42.7 64.5 45.3 14.5 446 127 B Q H 3> S+ 0 0 114 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.864 109.4 41.2 -53.6 -43.4 67.6 43.2 13.7 447 128 B L H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.880 110.6 56.1 -76.6 -40.7 66.1 40.2 15.3 448 129 B H H X S+ 0 0 60 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.950 111.4 45.3 -54.3 -45.3 62.6 40.8 13.8 449 130 B Q H X S+ 0 0 112 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.891 111.0 52.3 -67.3 -38.3 64.2 40.8 10.3 450 131 B A H X S+ 0 0 10 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.867 109.2 50.3 -66.6 -38.3 66.3 37.7 11.1 451 132 B D H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.927 111.0 48.2 -61.4 -48.3 63.2 35.8 12.2 452 133 B L H X S+ 0 0 53 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.854 110.5 53.3 -64.6 -32.9 61.3 36.7 9.0 453 134 B K H X S+ 0 0 99 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.915 108.1 47.6 -68.3 -44.3 64.3 35.7 7.0 454 135 B L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.909 112.7 51.2 -62.6 -39.8 64.5 32.2 8.5 455 136 B E H X S+ 0 0 12 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.941 111.6 46.3 -61.2 -46.8 60.7 31.9 8.0 456 137 B D H X S+ 0 0 23 -4,-2.5 4,-1.0 1,-0.2 -123,-0.2 0.889 115.4 46.5 -63.1 -41.1 61.1 32.9 4.3 457 138 B L H X S+ 0 0 6 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.891 111.1 50.5 -70.6 -40.8 64.0 30.5 3.8 458 139 B C H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.818 103.2 62.0 -66.8 -30.8 62.4 27.6 5.5 459 140 B D H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.849 97.4 56.8 -65.0 -32.6 59.3 28.2 3.3 460 141 B I H X S+ 0 0 3 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.940 109.1 47.0 -60.1 -44.8 61.5 27.4 0.3 461 142 B V H X S+ 0 0 2 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.917 110.9 51.2 -63.6 -42.9 62.3 24.1 1.8 462 143 B L H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.912 109.5 50.0 -61.3 -42.8 58.6 23.4 2.7 463 144 B V H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 3,-0.4 0.933 111.8 47.7 -63.9 -43.2 57.5 24.2 -0.9 464 145 B I H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.928 107.1 57.1 -65.2 -40.9 60.1 21.8 -2.3 465 146 B S H < S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.814 109.3 46.4 -59.7 -30.6 59.1 19.1 0.2 466 147 B N H < S+ 0 0 85 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.747 110.4 51.9 -84.2 -24.7 55.5 19.3 -1.2 467 148 B L H < S+ 0 0 46 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.756 88.1 96.2 -78.2 -28.0 56.6 19.2 -4.8 468 149 B L < 0 0 11 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.355 360.0 360.0 -65.0 146.5 58.8 16.1 -4.4 469 150 B P 0 0 149 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.830 360.0 360.0 -60.4 360.0 56.9 12.9 -5.3