==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-MAR-06 2G85 . COMPND 2 MOLECULE: CHORISMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.V.B.DIAS,B.B.DOS SANTOS,F.ELY,L.A.BASSO,D.S.SANTOS,W.F.DE . 386 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 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 . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 4 0 0 1 1 0 2 0 0 0 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 1 2 1 1 1 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 . 2 1 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 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 M 0 0 94 0, 0.0 21,-0.1 0, 0.0 358,-0.1 0.000 360.0 360.0 360.0 142.7 56.1 -4.0 78.4 2 2 A L + 0 0 1 357,-0.2 2,-0.3 19,-0.2 19,-0.2 -0.339 360.0 170.5 -55.7 126.1 56.4 -6.9 76.0 3 3 A R E -A 20 0A 122 17,-2.7 17,-2.9 -2,-0.1 2,-0.4 -0.982 14.8-163.8-138.8 153.2 60.0 -8.1 75.7 4 4 A W E -A 19 0A 51 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.987 3.2-170.7-137.6 140.7 61.4 -11.2 74.1 5 5 A I E -A 18 0A 112 13,-2.3 13,-3.1 -2,-0.4 2,-0.4 -0.997 7.4-155.9-136.2 147.8 64.8 -12.7 74.4 6 6 A T E +A 17 0A 17 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.893 14.0 176.5-116.1 141.0 66.4 -15.5 72.5 7 7 A A E +A 16 0A 46 9,-2.4 9,-2.7 -2,-0.4 2,-0.1 -0.979 28.6 85.4-141.3 154.3 69.3 -17.7 73.8 8 8 A G - 0 0 10 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.304 58.7-114.4 132.5 144.8 71.1 -20.7 72.3 9 9 A E > - 0 0 78 5,-0.5 3,-1.2 -2,-0.1 121,-0.2 -0.807 37.3-113.4-101.6 151.5 73.9 -21.6 70.0 10 10 A S T 3 S+ 0 0 16 119,-2.0 -1,-0.1 -2,-0.3 119,-0.1 0.853 118.6 24.1 -56.8 -32.0 73.0 -23.2 66.7 11 11 A H T 3 S+ 0 0 34 63,-0.1 -1,-0.3 69,-0.1 73,-0.2 0.150 102.3 107.8-115.8 13.6 74.7 -26.4 67.8 12 12 A G S < S- 0 0 4 -3,-1.2 73,-0.1 117,-0.2 69,-0.1 -0.253 89.9 -83.1 -80.5-179.2 74.5 -25.9 71.6 13 13 A R S S- 0 0 169 71,-0.4 61,-2.2 1,-0.1 2,-0.3 0.843 95.9 -19.5 -56.3 -48.5 72.1 -27.9 73.6 14 14 A A E - B 0 73A 19 59,-0.2 -5,-0.5 63,-0.0 2,-0.4 -0.968 55.5-122.3-153.0 163.6 68.9 -26.0 73.2 15 15 A L E - B 0 72A 5 57,-2.3 57,-3.4 -2,-0.3 2,-0.4 -0.871 27.2-157.4-103.0 153.6 67.5 -22.6 72.1 16 16 A V E -AB 7 71A 42 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.4 -0.992 9.6-167.0-127.1 140.1 65.3 -20.7 74.5 17 17 A A E -AB 6 70A 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.5 -0.992 8.6-169.2-114.4 129.4 62.8 -18.0 73.8 18 18 A V E -AB 5 69A 39 -13,-3.1 -13,-2.3 -2,-0.4 2,-0.6 -0.979 3.2-167.8-116.7 128.8 61.5 -16.0 76.7 19 19 A V E -AB 4 68A 0 49,-2.8 49,-3.2 -2,-0.5 2,-0.3 -0.971 10.1-174.0-113.6 118.9 58.6 -13.7 76.3 20 20 A E E +A 3 0A 91 -17,-2.9 -17,-2.7 -2,-0.6 46,-0.1 -0.835 59.9 30.0-107.8 148.0 58.1 -11.3 79.2 21 21 A G S S+ 0 0 32 -2,-0.3 2,-0.4 1,-0.3 -19,-0.2 0.575 74.1 141.8 87.9 7.1 55.1 -8.9 79.6 22 22 A M - 0 0 3 44,-0.3 -1,-0.3 -3,-0.2 43,-0.1 -0.687 54.0-109.9 -80.7 139.5 52.4 -10.9 77.8 23 23 A V > - 0 0 4 -2,-0.4 3,-0.6 1,-0.1 42,-0.4 -0.202 31.7-105.6 -55.5 145.8 48.9 -10.8 79.4 24 24 A A B 3 S+d 369 0B 28 344,-2.7 346,-3.2 40,-0.3 40,-0.2 -0.422 97.6 44.7 -61.1 152.7 47.4 -13.8 81.1 25 25 A G T 3 + 0 0 32 38,-2.6 2,-0.5 1,-0.3 -1,-0.2 0.511 68.6 137.0 94.1 7.0 44.6 -15.6 79.2 26 26 A V < - 0 0 0 -3,-0.6 37,-2.9 37,-0.1 2,-0.7 -0.759 53.5-129.2 -85.5 126.6 46.1 -15.7 75.7 27 27 A H B +E 62 0C 96 -2,-0.5 2,-0.3 35,-0.2 35,-0.2 -0.730 48.8 140.4 -79.5 114.8 45.5 -19.1 74.1 28 28 A V - 0 0 1 33,-1.6 2,-0.3 -2,-0.7 117,-0.1 -0.946 25.1-169.6-150.2 149.6 48.7 -20.6 72.7 29 29 A T > - 0 0 37 -2,-0.3 4,-1.6 31,-0.1 5,-0.1 -0.802 41.3-105.4-138.4 162.7 50.0 -24.1 72.8 30 30 A S H > S+ 0 0 61 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.776 121.4 61.0 -63.8 -24.8 53.2 -25.9 72.0 31 31 A A H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.910 102.7 50.5 -65.7 -42.4 51.4 -27.1 68.8 32 32 A D H > S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.862 112.2 47.8 -58.3 -38.5 51.0 -23.5 67.7 33 33 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.909 111.4 48.0 -70.2 -45.5 54.7 -22.9 68.3 34 34 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 108.7 57.7 -65.4 -36.0 55.8 -26.1 66.5 35 35 A D H X S+ 0 0 85 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.903 108.7 43.6 -56.2 -44.1 53.5 -25.0 63.7 36 36 A Q H X S+ 0 0 25 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.804 111.3 54.3 -73.2 -32.7 55.3 -21.6 63.3 37 37 A L H < S+ 0 0 1 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.878 108.1 50.0 -67.7 -35.6 58.6 -23.3 63.5 38 38 A A H >< S+ 0 0 34 -4,-2.2 3,-1.8 2,-0.2 4,-0.4 0.925 107.2 54.3 -64.6 -45.5 57.5 -25.6 60.7 39 39 A R H >< S+ 0 0 27 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.851 102.5 58.6 -57.5 -36.1 56.4 -22.6 58.6 40 40 A R T 3< S+ 0 0 35 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.683 99.4 57.7 -64.2 -22.8 60.0 -21.3 59.2 41 41 A R T < S+ 0 0 88 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.534 85.5 115.4 -85.9 -5.8 61.3 -24.5 57.5 42 42 A L < + 0 0 37 -3,-1.4 302,-0.2 -4,-0.4 305,-0.1 -0.240 37.3 87.2 -61.1 148.5 59.3 -23.6 54.4 43 43 A G S S- 0 0 17 300,-0.1 146,-0.2 2,-0.1 2,-0.1 0.214 78.5 -38.1 128.1 123.2 61.0 -22.8 51.1 44 44 A Y 0 0 46 144,-4.4 296,-0.2 1,-0.2 295,-0.1 -0.150 360.0 360.0 -35.8 100.3 62.4 -24.4 47.9 45 45 A G 0 0 118 -2,-0.1 -1,-0.2 293,-0.1 -2,-0.1 -0.977 360.0 360.0-170.0 360.0 63.6 -26.8 48.8 46 ! 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 47 52 A F 0 0 63 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-133.3 61.9 -29.5 60.5 48 53 A E - 0 0 92 1,-0.1 2,-0.3 3,-0.0 26,-0.1 0.644 360.0 -36.7 -64.4 -97.0 63.8 -31.6 62.5 49 54 A R - 0 0 139 24,-0.2 -1,-0.1 2,-0.2 24,-0.1 -0.969 32.9-115.4-158.2 152.2 60.8 -32.0 64.9 50 55 A D S S+ 0 0 100 -2,-0.3 2,-1.8 1,-0.1 -16,-0.1 0.664 80.0 105.2 -53.7 -30.5 57.7 -31.1 66.8 51 56 A A + 0 0 76 2,-0.0 22,-0.3 21,-0.0 2,-0.3 -0.592 37.0 137.5 -64.7 79.6 59.4 -31.6 70.3 52 57 A V - 0 0 9 -2,-1.8 2,-0.4 20,-0.2 20,-0.2 -0.713 45.4-141.3 -70.5 150.3 59.8 -28.0 71.2 53 58 A T E -C 71 0A 65 18,-2.7 18,-3.2 -2,-0.3 2,-0.6 -0.969 9.4-139.3-131.8 123.3 58.9 -27.6 75.0 54 59 A V E -C 70 0A 41 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.664 23.0-179.2 -72.3 118.2 57.0 -24.9 76.8 55 60 A L E - 0 0 94 14,-3.0 2,-0.3 -2,-0.6 15,-0.2 0.809 56.5 -10.1 -91.0 -30.3 59.0 -24.4 80.0 56 61 A S E S+C 69 0A 49 13,-1.5 13,-0.5 10,-0.1 -1,-0.2 -0.966 102.3 47.7-161.2 159.6 57.0 -21.7 81.7 57 62 A G S S+ 0 0 9 -2,-0.3 7,-3.9 11,-0.2 8,-0.5 0.305 88.3 83.4 92.2 -9.9 54.3 -19.1 81.5 58 63 A I E -F 63 0C 27 5,-0.3 2,-0.4 6,-0.1 5,-0.3 -0.997 49.8-177.7-131.4 131.9 51.6 -21.1 79.8 59 64 A R E > S-F 62 0C 154 3,-2.8 3,-1.2 -2,-0.4 -3,-0.0 -0.981 73.7 -11.9-132.1 124.3 49.1 -23.4 81.6 60 65 A H T 3 S- 0 0 162 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.897 129.5 -54.7 56.1 40.0 46.5 -25.5 79.9 61 66 A G T 3 S+ 0 0 12 1,-0.2 -33,-1.6 -34,-0.1 2,-0.5 0.626 119.4 109.0 72.9 15.3 47.2 -23.6 76.7 62 67 A S E < S-EF 27 59C 44 -3,-1.2 -3,-2.8 -35,-0.2 -35,-0.2 -0.973 74.1-115.2-127.7 124.7 46.5 -20.3 78.4 63 68 A T E - F 0 58C 4 -37,-2.9 -38,-2.6 -2,-0.5 -5,-0.3 -0.339 17.0-147.8 -57.1 144.4 49.3 -17.7 79.2 64 69 A L - 0 0 99 -7,-3.9 -40,-0.3 -40,-0.2 -6,-0.1 0.613 37.5-109.6 -91.0 -15.9 49.8 -17.2 82.9 65 70 A G S S+ 0 0 35 -8,-0.5 -44,-0.3 -42,-0.4 -41,-0.1 0.108 89.9 88.7 104.9 -20.2 50.9 -13.5 82.8 66 71 A G S S- 0 0 29 1,-0.2 -1,-0.4 -9,-0.2 -44,-0.3 -0.195 94.9 -46.5 -96.6-169.7 54.5 -14.2 83.7 67 72 A P - 0 0 72 0, 0.0 2,-0.6 0, 0.0 -47,-0.2 -0.405 50.8-146.9 -65.2 135.6 57.5 -14.9 81.6 68 73 A I E -B 19 0A 0 -49,-3.2 -49,-2.8 -11,-0.1 2,-0.5 -0.914 15.3-168.8-103.4 114.6 56.9 -17.6 78.9 69 74 A A E -BC 18 56A 14 -2,-0.6 -14,-3.0 -13,-0.5 -13,-1.5 -0.912 2.7-172.3-109.1 131.5 60.0 -19.7 78.3 70 75 A I E -BC 17 54A 0 -53,-2.8 -53,-2.6 -2,-0.5 2,-0.4 -0.989 7.9-154.9-126.0 124.2 60.1 -22.0 75.3 71 76 A E E -BC 16 53A 62 -18,-3.2 -18,-2.7 -2,-0.5 2,-0.5 -0.815 3.6-162.2 -96.7 137.5 62.9 -24.4 74.7 72 77 A I E -B 15 0A 6 -57,-3.4 -57,-2.3 -2,-0.4 -20,-0.2 -0.911 21.5-135.5-118.9 111.0 63.8 -25.7 71.4 73 78 A G E -B 14 0A 24 -2,-0.5 2,-0.8 -22,-0.3 -59,-0.2 -0.270 14.3-118.0 -68.1 141.3 65.9 -28.8 71.6 74 79 A N > - 0 0 23 -61,-2.2 3,-1.3 1,-0.1 -1,-0.1 -0.753 23.1-158.3 -77.3 111.9 68.9 -29.4 69.5 75 80 A T T 3 S+ 0 0 48 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.697 90.4 41.9 -70.5 -27.0 68.0 -32.4 67.5 76 81 A E T > S+ 0 0 61 1,-0.1 3,-0.8 2,-0.1 4,-0.5 -0.196 73.8 131.0-112.3 40.2 71.6 -33.4 66.8 77 82 A W G X> + 0 0 33 -3,-1.3 3,-2.0 1,-0.2 4,-1.9 0.867 62.5 66.5 -60.3 -40.8 72.9 -32.6 70.2 78 83 A P G 34 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.844 100.6 51.7 -54.0 -31.8 74.7 -36.0 70.5 79 84 A K G <4 S+ 0 0 108 -3,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.689 119.8 34.0 -66.9 -22.7 77.0 -34.8 67.7 80 85 A W T <> S+ 0 0 11 -3,-2.0 4,-3.9 -4,-0.5 -1,-0.2 0.467 82.7 107.9-120.0 -6.9 77.8 -31.5 69.6 81 86 A E T < S+ 0 0 104 -4,-1.9 -1,-0.1 1,-0.2 5,-0.1 0.625 94.0 27.8 -44.6 -31.5 77.7 -32.7 73.2 82 87 A T T >4 S+ 0 0 52 -4,-0.2 3,-0.9 -3,-0.1 -1,-0.2 0.766 121.8 48.9-102.5 -43.4 81.5 -32.4 73.5 83 88 A V T 34 S+ 0 0 16 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.893 127.1 29.1 -65.2 -38.1 82.3 -29.7 71.0 84 89 A M T 3< S+ 0 0 34 -4,-3.9 -71,-0.4 -73,-0.2 -1,-0.2 -0.080 87.6 148.0-115.6 25.7 79.5 -27.4 72.4 85 90 A A < - 0 0 32 -3,-0.9 -3,-0.1 1,-0.1 4,-0.1 -0.464 45.6-143.8 -53.3 133.8 79.7 -28.8 76.0 86 91 A A S S+ 0 0 103 -2,-0.2 -1,-0.1 -5,-0.1 3,-0.1 0.894 82.3 60.3 -69.9 -40.8 78.8 -26.1 78.5 87 92 A D S S- 0 0 128 1,-0.2 -2,-0.1 -3,-0.0 0, 0.0 -0.451 103.9 -80.0 -89.7 160.5 81.3 -27.5 81.0 88 93 A P - 0 0 131 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.165 43.0-159.3 -52.5 148.1 85.0 -27.9 80.7 89 94 A V - 0 0 34 -4,-0.1 5,-0.1 -3,-0.1 -7,-0.0 -0.988 39.2 -87.0-133.5 132.5 86.1 -31.0 78.7 90 95 A D - 0 0 100 -2,-0.4 3,-0.4 1,-0.2 4,-0.2 -0.231 38.3-140.2 -40.6 119.1 89.6 -32.5 79.0 91 96 A P S > S+ 0 0 105 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.660 101.0 56.6 -68.2 -14.1 91.5 -30.4 76.4 92 97 A A H > S+ 0 0 63 2,-0.2 4,-0.8 1,-0.2 3,-0.1 0.860 104.8 50.0 -81.6 -40.6 93.4 -33.5 75.4 93 98 A E H 4 S+ 0 0 104 -3,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.339 113.3 49.1 -78.1 9.5 90.1 -35.4 74.6 94 99 A L H >4 S+ 0 0 36 -4,-0.2 3,-1.0 -3,-0.2 6,-0.2 0.559 97.9 64.7-116.8 -25.8 89.1 -32.3 72.5 95 100 A A H 3< S+ 0 0 83 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.743 101.0 55.1 -71.4 -19.5 92.4 -32.1 70.6 96 101 A D T 3< S+ 0 0 146 -4,-0.8 2,-0.6 -5,-0.0 -1,-0.3 0.622 87.4 96.1 -79.1 -13.9 91.4 -35.4 69.2 97 102 A V < - 0 0 46 -3,-1.0 3,-0.3 1,-0.2 -3,-0.0 -0.697 54.0-167.8 -91.1 118.6 88.0 -34.1 68.0 98 103 A A S > S+ 0 0 86 -2,-0.6 3,-3.0 1,-0.2 -1,-0.2 0.927 88.7 63.6 -70.0 -41.0 88.1 -33.0 64.3 99 104 A R T 3 S+ 0 0 102 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.766 99.5 54.8 -50.2 -32.1 84.7 -31.3 64.8 100 105 A N T 3 S+ 0 0 51 -3,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 0.312 77.6 136.2 -86.6 7.2 86.5 -29.0 67.3 101 106 A A < - 0 0 54 -3,-3.0 -3,-0.1 1,-0.1 -6,-0.0 -0.226 68.2 -92.1 -54.8 149.3 89.1 -27.9 64.7 102 107 A P - 0 0 95 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.296 28.2-144.3 -68.1 143.7 89.7 -24.2 64.9 103 108 A L + 0 0 40 1,-0.1 21,-2.7 -3,-0.1 22,-0.2 -0.903 39.1 149.6-103.8 102.1 87.6 -21.9 62.6 104 109 A T + 0 0 22 -2,-0.7 220,-3.7 19,-0.2 221,-0.3 0.263 44.3 85.5-118.8 7.4 90.0 -19.2 61.7 105 110 A R S S- 0 0 95 218,-0.2 228,-0.4 219,-0.1 218,-0.2 -0.836 72.3-145.2-112.7 92.4 88.8 -18.2 58.2 106 111 A P - 0 0 4 0, 0.0 216,-0.2 0, 0.0 -2,-0.1 -0.279 13.6-123.6 -63.0 139.9 86.0 -15.7 58.6 107 112 A R > - 0 0 15 225,-0.1 3,-2.2 214,-0.1 6,-0.3 -0.730 24.8-119.1 -81.5 118.8 83.2 -15.8 56.0 108 113 A P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.316 103.2 27.4 -44.5 130.9 82.7 -12.5 54.1 109 114 A G T 3 S+ 0 0 49 1,-0.3 2,-0.2 205,-0.1 143,-0.2 0.135 107.7 94.8 96.6 -17.6 79.1 -11.4 54.9 110 115 A H S < S- 0 0 49 -3,-2.2 3,-0.4 1,-0.0 4,-0.4 -0.539 87.2-108.4-103.8 170.2 79.0 -13.2 58.3 111 116 A A S > S+ 0 0 43 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.622 90.4 100.6 -67.1 -12.8 79.7 -12.1 61.8 112 117 A D H > S+ 0 0 4 -5,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.828 81.8 35.4 -50.7 -59.7 82.9 -14.1 61.9 113 118 A Y H > S+ 0 0 126 -3,-0.4 4,-2.2 -6,-0.3 -1,-0.2 0.940 123.2 40.3 -66.4 -51.5 85.6 -11.6 61.4 114 119 A A H > S+ 0 0 64 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.847 117.1 51.8 -64.1 -36.2 84.2 -8.6 63.3 115 120 A G H X S+ 0 0 10 -4,-2.8 4,-2.7 2,-0.2 6,-0.3 0.876 108.2 51.6 -70.7 -40.8 82.9 -10.9 66.0 116 121 A M H X>S+ 0 0 3 -4,-2.4 5,-1.9 -5,-0.3 4,-0.7 0.912 116.0 39.3 -62.8 -44.4 86.4 -12.5 66.4 117 122 A L H ><5S+ 0 0 99 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.934 114.8 54.1 -73.8 -43.5 88.1 -9.2 66.8 118 123 A K H 3<5S+ 0 0 157 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.932 121.8 29.0 -51.9 -51.5 85.3 -7.7 68.9 119 124 A Y H 3<5S- 0 0 154 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.394 107.9-116.9 -92.4 1.9 85.4 -10.5 71.4 120 125 A G T <<5 + 0 0 58 -3,-0.7 2,-0.3 -4,-0.7 -3,-0.2 0.835 58.4 159.6 61.2 32.2 89.1 -11.4 71.1 121 126 A F < - 0 0 76 -5,-1.9 -1,-0.2 -6,-0.3 -2,-0.1 -0.698 35.9-163.7 -84.4 141.8 88.2 -14.9 69.8 122 127 A D S S+ 0 0 144 -2,-0.3 2,-0.4 -5,-0.0 -1,-0.1 0.414 81.9 55.1 -95.6 0.3 90.9 -16.9 67.8 123 128 A D S S- 0 0 42 -21,-0.1 4,-0.4 -7,-0.1 -19,-0.2 -0.972 72.2-146.9-134.6 141.5 88.1 -19.1 66.6 124 129 A A S > S+ 0 0 2 -21,-2.7 4,-3.3 -2,-0.4 5,-0.4 0.524 81.7 91.9 -83.6 -11.8 84.9 -18.1 64.8 125 130 A R H > S+ 0 0 25 1,-0.2 4,-2.5 -22,-0.2 5,-0.2 0.938 84.8 47.3 -51.0 -55.9 83.0 -21.0 66.4 126 131 A P H > S+ 0 0 45 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.910 117.8 45.5 -58.1 -37.7 81.8 -19.0 69.4 127 132 A V H > S+ 0 0 12 -4,-0.4 4,-3.1 2,-0.2 3,-0.5 0.977 114.3 43.1 -65.4 -54.5 80.7 -16.2 67.0 128 133 A L H X S+ 0 0 6 -4,-3.3 4,-2.2 1,-0.3 -118,-0.2 0.816 107.2 64.1 -67.5 -27.8 79.0 -18.2 64.4 129 134 A E H < S+ 0 0 2 -4,-2.5 -119,-2.0 -5,-0.4 -1,-0.3 0.923 116.3 26.3 -58.1 -49.0 77.3 -20.3 67.0 130 135 A R H < S+ 0 0 86 -4,-1.2 -2,-0.2 -3,-0.5 5,-0.2 0.902 122.7 54.5 -78.8 -41.2 75.3 -17.3 68.4 131 136 A A H < S+ 0 0 38 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.757 83.4 109.1 -67.4 -27.8 75.3 -15.3 65.2 132 137 A S S >< S- 0 0 36 -4,-2.2 3,-2.2 -5,-0.3 4,-0.1 -0.122 79.8-118.5 -57.6 151.3 73.8 -18.0 63.0 133 138 A A T > S+ 0 0 19 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.457 101.7 88.9 -72.1 -0.4 70.2 -17.7 61.8 134 139 A R T >> S+ 0 0 46 1,-0.3 3,-2.4 2,-0.2 4,-0.5 0.861 77.7 70.1 -61.6 -29.7 69.3 -20.8 63.7 135 140 A E H X> S+ 0 0 15 -3,-2.2 4,-1.5 1,-0.3 3,-0.9 0.814 80.7 71.8 -55.4 -28.7 68.7 -18.2 66.4 136 141 A T H <> S+ 0 0 6 -3,-1.4 4,-2.3 1,-0.3 -1,-0.3 0.680 84.4 68.6 -69.6 -9.4 65.7 -17.0 64.4 137 142 A A H <> S+ 0 0 1 -3,-2.4 4,-2.0 -4,-0.2 -1,-0.3 0.921 100.4 47.1 -70.3 -40.5 63.9 -20.3 65.4 138 143 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.953 113.6 45.0 -60.6 -49.5 58.8 -19.5 69.0 142 147 A A H >X S+ 0 0 1 -4,-2.6 4,-1.2 1,-0.2 3,-1.0 0.911 107.3 57.1 -59.7 -42.6 58.5 -16.1 70.7 143 148 A G H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.727 94.5 68.9 -61.6 -21.8 56.5 -14.5 67.8 144 149 A T H S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 6,-1.8 0.951 114.9 43.3 -64.9 -43.4 47.3 -10.2 68.1 151 156 A R H X5S+ 0 0 100 -4,-3.0 4,-1.6 4,-0.3 -2,-0.2 0.947 120.4 41.1 -65.1 -50.0 44.6 -12.6 66.7 152 157 A Q H <5S+ 0 0 60 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.800 124.4 35.3 -71.4 -32.6 42.8 -13.0 69.9 153 158 A A H <5S+ 0 0 13 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.857 138.9 10.5 -87.8 -41.1 43.0 -9.3 71.1 154 159 A L H <5S- 0 0 23 -4,-2.4 -3,-0.2 -5,-0.5 -2,-0.2 0.495 90.4-117.1-119.4 -5.5 42.7 -7.5 67.8 155 160 A G << + 0 0 48 -4,-1.6 2,-0.4 -5,-0.6 -4,-0.3 0.779 64.0 157.1 64.5 26.1 41.7 -10.0 65.1 156 161 A V - 0 0 1 -6,-1.8 2,-0.4 -7,-0.1 -1,-0.3 -0.682 27.0-166.9 -89.4 140.0 45.1 -9.2 63.6 157 162 A E E -G 223 0D 50 66,-1.5 66,-2.2 -2,-0.4 2,-0.5 -0.954 5.0-158.6-122.1 139.6 46.8 -11.6 61.2 158 163 A V E +G 222 0D 8 -2,-0.4 2,-0.3 64,-0.2 64,-0.2 -0.975 23.7 158.4-117.6 128.7 50.4 -11.2 60.1 159 164 A L E -G 221 0D 2 62,-3.2 62,-3.1 -2,-0.5 2,-0.3 -0.863 20.2-153.6-138.0 176.1 51.5 -12.9 57.0 160 165 A S E -G 220 0D 0 -2,-0.3 2,-0.3 60,-0.3 60,-0.2 -0.946 6.9-172.1-144.9 167.9 54.3 -12.6 54.4 161 166 A H E -G 219 0D 0 58,-1.8 58,-2.6 -2,-0.3 2,-0.4 -0.955 32.5-107.4-159.3 153.6 55.0 -13.3 50.7 162 167 A V E -Gh 218 191D 1 28,-2.2 30,-0.5 -2,-0.3 31,-0.3 -0.762 25.6-176.3 -91.2 134.7 58.2 -13.1 48.7 163 168 A I E - 0 0 1 54,-2.9 8,-1.6 -2,-0.4 2,-0.3 0.831 68.8 -3.0 -99.6 -34.2 58.3 -10.3 46.3 164 169 A S E -G 217 0D 15 53,-1.8 53,-2.3 6,-0.2 -1,-0.4 -0.993 48.8-168.0-152.0 154.6 61.6 -11.2 44.7 165 170 A I E > S-G 216 0D 0 -2,-0.3 3,-1.8 51,-0.3 51,-0.3 -0.983 71.0 -32.3-134.7 130.8 64.5 -13.7 44.9 166 171 A G T 3 S- 0 0 30 49,-1.9 51,-0.1 -2,-0.3 38,-0.1 -0.215 125.6 -20.5 55.0-144.3 67.8 -13.0 43.0 167 172 A A T 3 S+ 0 0 84 -3,-0.1 -1,-0.2 36,-0.1 49,-0.0 0.125 97.0 137.9 -90.0 23.5 67.2 -11.1 39.8 168 173 A S < - 0 0 8 -3,-1.8 32,-0.1 1,-0.1 28,-0.1 -0.186 66.5 -99.3 -60.5 160.1 63.6 -12.0 39.5 169 174 A A - 0 0 60 27,-0.1 -1,-0.1 1,-0.1 30,-0.1 -0.754 48.0-112.9 -87.9 122.0 61.1 -9.3 38.5 170 175 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.159 25.4-124.2 -56.4 141.9 59.5 -8.0 41.6 171 176 A Y - 0 0 34 -8,-1.6 2,-0.3 -9,-0.1 -3,-0.0 -0.635 17.9-153.8 -76.8 149.1 55.8 -8.6 42.3 172 177 A E + 0 0 148 -2,-0.2 -9,-0.0 1,-0.1 0, 0.0 -0.991 55.5 48.7-122.3 122.7 53.1 -5.7 43.0 173 178 A G S S- 0 0 39 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.477 74.7-110.5 120.7 101.2 49.6 -6.1 45.1 174 179 A P - 0 0 58 0, 0.0 -2,-0.0 0, 0.0 130,-0.0 -0.100 18.3-125.6 -83.3 155.0 49.3 -7.7 48.7 175 180 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -16,-0.1 -0.395 14.7-139.4 -76.8 151.7 47.7 -11.0 50.0 176 181 A P > - 0 0 46 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.520 40.3 -92.5 -84.8 177.5 45.1 -11.3 52.8 177 182 A R G > S+ 0 0 128 1,-0.3 3,-1.8 -2,-0.2 4,-0.4 0.749 119.8 71.5 -71.4 -24.0 45.2 -14.1 55.3 178 183 A A G 3 S+ 0 0 53 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.786 98.6 52.0 -61.3 -26.3 43.0 -16.3 53.2 179 184 A E G <> S+ 0 0 46 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.382 78.6 94.7 -84.1 -4.7 45.9 -16.7 50.8 180 185 A D H <> S+ 0 0 30 -3,-1.8 4,-4.6 1,-0.2 -1,-0.2 0.926 79.3 60.1 -61.8 -38.7 48.5 -17.7 53.3 181 186 A L H 4 S+ 0 0 108 -4,-0.4 -1,-0.2 -3,-0.3 6,-0.1 0.898 111.6 36.9 -48.5 -53.8 47.8 -21.4 52.6 182 187 A P H 4>S+ 0 0 75 0, 0.0 5,-2.1 0, 0.0 -1,-0.2 0.798 121.4 47.0 -67.0 -38.1 48.8 -21.2 48.9 183 188 A A H <5S+ 0 0 1 -4,-2.3 7,-0.2 3,-0.2 -2,-0.2 0.941 98.0 80.5 -67.3 -42.1 51.5 -18.8 49.6 184 189 A I T <5S- 0 0 29 -4,-4.6 3,-0.6 -5,-0.3 5,-0.1 -0.327 126.7 -61.8 -77.7 147.7 52.8 -20.9 52.5 185 190 A D T 5S+ 0 0 43 1,-0.3 2,-2.4 -146,-0.2 4,-0.2 0.290 118.1 100.0 -17.9 -75.9 54.7 -23.4 50.9 186 191 A A T 5S+ 0 0 83 1,-0.1 -1,-0.3 2,-0.1 -3,-0.2 -0.322 96.6 60.4 19.6 -71.9 51.9 -24.8 49.0 187 192 A S S > S- 0 0 42 -31,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.765 72.6-146.2-101.0 131.6 51.8 -14.3 42.5 194 199 A K H > S+ 0 0 140 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.890 100.4 48.8 -62.4 -38.6 52.0 -17.3 40.1 195 200 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 113.0 45.0 -70.8 -42.5 54.2 -15.3 37.6 196 201 A A H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.895 111.0 57.3 -62.9 -38.6 56.6 -14.0 40.2 197 202 A E H X S+ 0 0 51 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.956 107.6 45.4 -55.2 -52.1 56.7 -17.5 41.6 198 203 A A H X S+ 0 0 61 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.914 114.0 50.3 -56.2 -44.9 57.8 -19.0 38.3 199 204 A D H X S+ 0 0 54 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.868 114.0 43.5 -66.7 -37.2 60.4 -16.3 37.9 200 205 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.906 111.2 52.9 -76.0 -42.3 61.8 -16.8 41.4 201 206 A I H X S+ 0 0 35 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.957 110.5 50.1 -52.6 -48.3 61.8 -20.6 41.1 202 207 A A H X S+ 0 0 54 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.866 108.1 53.3 -58.3 -39.5 63.8 -20.1 37.8 203 208 A Q H X S+ 0 0 49 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.936 110.7 46.1 -61.5 -42.7 66.1 -17.8 39.7 204 209 A I H >X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 3,-0.5 0.967 110.7 51.6 -66.2 -49.7 66.7 -20.5 42.3 205 210 A E H 3X S+ 0 0 95 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.876 111.7 49.1 -49.9 -42.8 67.3 -23.3 39.7 206 211 A A H 3X S+ 0 0 48 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.805 112.9 44.3 -72.1 -34.0 69.8 -21.1 38.0 207 212 A A H <<>S+ 0 0 8 -4,-1.6 5,-3.6 -3,-0.5 4,-0.4 0.872 112.7 52.8 -76.9 -38.2 71.8 -20.2 41.0 208 213 A K H ><5S+ 0 0 128 -4,-3.1 3,-2.7 3,-0.2 -2,-0.2 0.994 111.9 46.1 -55.2 -62.0 71.6 -23.9 42.2 209 214 A K H 3<5S+ 0 0 183 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 113.2 49.8 -44.1 -46.2 73.0 -24.9 38.9 210 215 A D T 3<5S- 0 0 119 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.518 112.5-120.3 -76.4 2.3 75.6 -22.1 39.1 211 216 A G T < 5S+ 0 0 42 -3,-2.7 -3,-0.2 -4,-0.4 2,-0.2 0.869 73.2 127.5 62.4 33.6 76.6 -23.2 42.6 212 217 A D < - 0 0 77 -5,-3.6 2,-0.3 103,-0.1 -1,-0.2 -0.615 53.4-125.2-115.8 178.8 75.6 -19.8 43.8 213 218 A T - 0 0 18 -2,-0.2 2,-0.3 -3,-0.1 127,-0.2 -0.887 17.7-146.7-130.1 159.0 73.4 -18.3 46.5 214 219 A L B -k 340 0E 19 125,-3.3 127,-0.5 -2,-0.3 98,-0.5 -0.886 9.6-165.5-128.1 150.1 70.5 -15.8 46.5 215 220 A G + 0 0 10 -2,-0.3 -49,-1.9 96,-0.2 2,-0.3 -0.344 20.2 176.9-106.8-163.1 68.9 -13.1 48.6 216 221 A G E -GI 165 309D 8 93,-1.8 93,-3.3 -51,-0.3 2,-0.4 -0.978 29.8 -95.8 174.9-177.0 65.4 -11.6 48.0 217 222 A V E -GI 164 308D 36 -53,-2.3 -54,-2.9 -2,-0.3 -53,-1.8 -0.981 32.5-172.1-128.3 129.7 62.8 -9.2 49.3 218 223 A V E -GI 162 307D 1 89,-2.1 89,-2.2 -2,-0.4 2,-0.5 -0.903 9.9-151.1-118.6 156.1 59.9 -10.3 51.4 219 224 A E E -GI 161 306D 2 -58,-2.6 -58,-1.8 -2,-0.3 2,-0.3 -0.995 4.4-158.1-125.6 128.3 56.9 -8.3 52.5 220 225 A A E -GI 160 305D 1 85,-3.4 85,-2.2 -2,-0.5 2,-0.4 -0.777 10.8-161.4 -97.9 152.1 55.0 -8.9 55.7 221 226 A V E -GI 159 304D 0 -62,-3.1 -62,-3.2 -2,-0.3 2,-0.5 -0.999 7.4-164.7-138.2 128.7 51.5 -7.7 55.9 222 227 A A E -GI 158 303D 1 81,-1.9 81,-2.6 -2,-0.4 2,-0.3 -0.990 14.2-166.1-120.2 125.1 49.5 -7.2 59.0 223 228 A L E +G 157 0D 32 -66,-2.2 -66,-1.5 -2,-0.5 78,-0.1 -0.821 59.7 26.4-114.9 145.5 45.8 -6.8 58.6 224 229 A G S S+ 0 0 57 -2,-0.3 -1,-0.2 1,-0.3 -68,-0.1 0.536 73.2 156.6 88.5 8.2 43.1 -5.6 60.9 225 230 A L - 0 0 15 -3,-0.3 -1,-0.3 76,-0.1 75,-0.1 -0.449 40.7-122.2 -69.6 139.0 45.3 -3.3 63.0 226 231 A P > - 0 0 6 0, 0.0 3,-0.6 0, 0.0 74,-0.3 -0.343 33.9 -96.3 -72.5 161.4 43.5 -0.4 64.9 227 232 A V T 3 S+ 0 0 69 1,-0.2 72,-0.2 72,-0.2 157,-0.0 -0.531 101.0 40.1 -70.7 139.6 44.6 3.2 64.2 228 233 A G T 3 + 0 0 17 70,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.663 64.4 141.3 101.0 20.9 47.0 4.6 66.7 229 234 A L < + 0 0 0 -3,-0.6 69,-2.0 69,-0.1 -1,-0.3 -0.770 68.7 19.4 -88.7 138.6 49.6 1.9 67.5 230 235 A G S S- 0 0 19 -2,-0.3 2,-0.3 130,-0.3 8,-0.2 -0.224 89.2-119.2 83.7 177.1 53.0 3.5 67.8 231 236 A S - 0 0 32 6,-1.6 3,-0.4 65,-0.4 64,-0.0 -0.992 11.9-139.3-153.2 156.7 53.2 7.2 68.4 232 237 A F S S+ 0 0 119 -2,-0.3 6,-0.1 1,-0.2 64,-0.1 0.378 82.0 98.1 -89.7 -1.6 54.6 10.3 66.8 233 238 A T S S+ 0 0 92 4,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.700 93.8 4.6 -68.4 -18.8 55.8 11.6 70.2 234 239 A S S >> S- 0 0 45 -3,-0.4 4,-0.9 1,-0.2 3,-0.7 -0.984 73.9-109.4-158.4 157.5 59.4 10.5 69.8 235 240 A G G >4 S+ 0 0 45 -2,-0.3 3,-1.5 1,-0.3 6,-0.4 0.961 120.1 43.9 -55.0 -55.1 61.6 8.9 67.2 236 241 A D G 34 S+ 0 0 107 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.674 106.5 61.7 -69.4 -12.2 61.8 5.6 69.1 237 242 A H G <4 S+ 0 0 86 -3,-0.7 -6,-1.6 -7,-0.1 -1,-0.3 0.663 80.9 103.2 -82.3 -14.9 58.1 5.6 69.8 238 243 A R S S+ 0 0 0 57,-3.0 4,-3.3 -10,-0.3 5,-0.2 0.790 104.4 62.0 -69.6 -33.2 56.2 2.0 64.9 240 245 A D H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 105.9 43.0 -40.6 -66.6 58.3 2.7 61.9 241 246 A S H > S+ 0 0 51 -6,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.898 116.6 48.4 -50.0 -50.2 61.4 2.9 64.0 242 247 A Q H X S+ 0 0 32 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 112.6 46.8 -63.6 -46.3 60.3 -0.1 66.1 243 248 A L H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.894 111.8 51.7 -66.3 -38.2 59.5 -2.3 63.1 244 249 A A H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.818 110.2 48.5 -70.2 -37.3 62.8 -1.3 61.4 245 250 A A H X S+ 0 0 69 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.940 115.7 43.9 -59.4 -51.0 64.8 -2.3 64.4 246 251 A A H < S+ 0 0 12 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.882 121.0 39.2 -68.5 -40.3 63.0 -5.6 64.8 247 252 A V H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -3,-0.2 0.911 115.5 48.3 -78.9 -44.2 63.2 -6.4 61.1 248 253 A M H 3< S+ 0 0 79 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.778 101.4 67.3 -71.1 -26.1 66.7 -5.2 60.2 249 254 A G T 3< S+ 0 0 46 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.574 78.5 107.3 -66.2 -13.7 68.0 -7.0 63.3 250 255 A I S X S- 0 0 9 -3,-1.5 3,-1.6 -4,-0.1 -117,-0.0 -0.433 89.3 -93.2 -62.0 139.0 67.2 -10.3 61.5 251 256 A Q T 3 S+ 0 0 34 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.318 108.9 8.1 -56.9 132.6 70.2 -12.1 60.2 252 257 A A T 3 S+ 0 0 13 1,-0.2 58,-2.9 -143,-0.2 2,-0.4 0.286 90.9 132.4 78.1 -10.5 71.0 -11.2 56.6 253 258 A I E < +J 309 0D 9 -3,-1.6 56,-0.2 56,-0.2 -1,-0.2 -0.634 20.8 165.8 -76.4 125.4 68.5 -8.3 56.4 254 259 A K E + 0 0 143 54,-3.3 2,-0.3 -2,-0.4 55,-0.2 0.294 59.7 35.0-121.9 -0.5 70.1 -5.2 54.9 255 260 A G E -J 308 0D 18 53,-0.9 53,-2.5 -8,-0.1 2,-0.4 -0.972 54.0-174.5-159.2 136.8 67.1 -3.1 54.1 256 261 A V E +J 307 0D 23 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.995 7.1 177.0-128.7 145.4 63.7 -2.3 55.4 257 262 A E E -J 306 0D 44 49,-2.4 49,-2.7 -2,-0.4 2,-0.5 -0.988 23.9-137.5-139.2 151.9 60.9 -0.2 54.0 258 263 A I E > S-J 305 0D 28 -2,-0.4 3,-1.9 47,-0.2 47,-0.2 -0.943 73.6 -38.4-102.7 132.8 57.4 0.6 55.0 259 264 A G T 3 S- 0 0 0 45,-2.6 31,-0.2 -2,-0.5 3,-0.2 -0.180 133.9 -4.9 45.1-133.8 54.9 0.5 52.2 260 265 A D T >> S+ 0 0 36 29,-3.2 3,-2.3 1,-0.2 4,-1.1 0.556 91.0 166.7 -78.9 -4.0 56.4 1.9 49.0 261 266 A G H <> + 0 0 23 -3,-1.9 4,-1.1 28,-0.4 -1,-0.2 0.043 64.5 16.1 55.6-127.9 59.5 2.8 50.8 262 267 A F H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.690 127.1 56.5 -56.8 -28.8 62.4 3.7 48.5 263 268 A Q H X> S+ 0 0 97 -3,-2.3 3,-2.5 1,-0.2 4,-0.6 0.908 99.6 58.5 -73.2 -45.6 60.0 4.1 45.6 264 269 A T H >< S+ 0 0 36 -4,-1.1 3,-1.4 1,-0.3 -2,-0.2 0.865 97.2 63.4 -41.4 -40.6 58.0 6.7 47.5 265 270 A A T 3< S+ 0 0 82 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.505 102.5 49.9 -64.7 -6.4 61.2 8.7 47.7 266 271 A R T <4 S+ 0 0 199 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.471 98.2 88.7-113.5 -8.8 61.1 9.0 43.9 267 272 A R S << S- 0 0 85 -3,-1.4 2,-0.3 -4,-0.6 5,-0.1 -0.472 78.7-110.7 -86.5 163.2 57.5 10.2 43.8 268 273 A R >> - 0 0 178 -2,-0.1 3,-2.4 1,-0.1 4,-0.6 -0.667 30.8-114.1 -83.1 144.9 56.0 13.6 43.9 269 274 A G H >> S+ 0 0 56 -2,-0.3 3,-0.8 1,-0.3 4,-0.7 0.836 114.5 70.1 -46.9 -35.2 54.0 14.6 46.9 270 275 A S H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.781 118.5 16.8 -57.2 -27.7 51.0 14.7 44.6 271 276 A R H <4 S+ 0 0 138 -3,-2.4 -1,-0.2 -7,-0.1 -2,-0.2 0.181 105.4 87.2-131.6 24.2 51.1 10.9 44.3 272 277 A A H << S+ 0 0 7 -3,-0.8 2,-0.1 -4,-0.6 -12,-0.1 0.682 84.4 51.2 -88.8 -20.8 53.3 9.8 47.3 273 278 A H S < S- 0 0 116 -4,-0.7 2,-0.7 16,-0.1 16,-0.1 -0.468 83.1-102.9-121.9 178.3 50.6 9.5 50.0 274 279 A D - 0 0 4 -2,-0.1 -3,-0.0 14,-0.1 -2,-0.0 -0.909 34.1-144.8-115.5 109.5 47.2 8.0 50.6 275 280 A E - 0 0 110 -2,-0.7 11,-0.5 1,-0.1 2,-0.3 -0.210 13.7-130.2 -67.8 156.0 44.3 10.4 50.4 276 281 A M + 0 0 102 9,-0.1 9,-0.2 10,-0.1 -1,-0.1 -0.867 24.0 178.1-117.7 149.9 41.3 10.0 52.6 277 282 A Y B -L 284 0F 97 7,-1.9 7,-3.0 -2,-0.3 2,-0.1 -0.916 35.1 -94.2-143.6 154.1 37.6 9.9 51.8 278 283 A P + 0 0 125 0, 0.0 5,-0.2 0, 0.0 0, 0.0 -0.442 42.4 175.7 -69.5 151.7 34.4 9.5 53.8 279 284 A G > - 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