==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-09 3GS6 . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR M.D.BALCEWICH,B.L.MARK . 322 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 1 0 0 1 1 1 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 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 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 11 0, 0.0 285,-3.2 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 128.1 6.1 -14.3 7.6 2 2 A G - 0 0 0 24,-1.7 23,-0.2 283,-0.2 283,-0.1 -0.278 360.0-101.5 -88.1-178.4 5.1 -13.9 4.0 3 3 A P S S+ 0 0 0 0, 0.0 262,-2.1 0, 0.0 2,-0.4 0.697 85.5 97.1 -77.1 -22.7 2.2 -11.7 2.7 4 4 A L E -ab 26 265A 0 21,-2.4 23,-3.1 260,-0.2 24,-1.7 -0.590 47.1-169.4 -91.2 127.1 -0.4 -14.4 2.1 5 5 A W E +ab 28 266A 0 260,-2.9 262,-2.3 -2,-0.4 2,-0.2 -0.907 22.8 165.1 -97.4 133.9 -3.2 -15.6 4.4 6 6 A L E -a 29 0A 0 22,-2.0 24,-2.8 -2,-0.5 2,-0.3 -0.800 23.5-128.8-137.6-174.7 -5.0 -18.7 3.3 7 7 A D - 0 0 7 260,-0.5 2,-0.3 -2,-0.2 24,-0.1 -0.857 9.4-131.2-135.0 163.9 -7.4 -21.4 4.7 8 8 A V - 0 0 2 22,-0.4 24,-0.1 -2,-0.3 261,-0.1 -0.785 22.8-118.2-116.1 165.4 -7.7 -25.2 5.0 9 9 A A S S- 0 0 80 -2,-0.3 2,-0.1 3,-0.1 4,-0.1 0.862 74.6 -30.8 -70.9 -40.6 -10.6 -27.5 4.2 10 10 A G S S- 0 0 22 2,-0.5 -2,-0.1 25,-0.1 22,-0.1 -0.367 88.6 -34.1-150.2-138.3 -11.5 -29.1 7.5 11 11 A Y S S+ 0 0 107 -2,-0.1 2,-0.3 25,-0.1 26,-0.1 0.648 111.0 30.3 -84.3 -21.2 -10.6 -30.3 11.0 12 12 A E S S- 0 0 163 36,-0.0 -2,-0.5 33,-0.0 2,-0.3 -0.895 89.0 -94.7-136.1 161.3 -7.0 -31.6 10.4 13 13 A L - 0 0 11 -2,-0.3 2,-0.2 -4,-0.1 -2,-0.1 -0.588 35.1-146.9 -77.3 135.9 -4.2 -30.8 8.0 14 14 A S > - 0 0 55 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.471 33.4 -99.6 -88.5 173.9 -4.0 -32.8 4.8 15 15 A A H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.894 127.2 50.1 -58.3 -40.3 -0.7 -33.7 3.1 16 16 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.867 105.4 54.8 -68.8 -38.4 -1.2 -30.8 0.8 17 17 A D H > S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.925 107.8 52.1 -57.7 -45.2 -2.0 -28.3 3.6 18 18 A R H X S+ 0 0 129 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.899 109.5 46.6 -59.6 -47.2 1.4 -29.3 5.2 19 19 A A H < S+ 0 0 68 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.901 114.5 50.2 -61.2 -42.3 3.3 -28.6 2.0 20 20 A I H >< S+ 0 0 17 -4,-2.4 3,-1.7 1,-0.2 6,-0.2 0.914 106.4 52.9 -60.6 -47.3 1.4 -25.3 1.6 21 21 A L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.737 101.8 62.4 -65.4 -19.2 2.1 -24.1 5.2 22 22 A A T 3< S+ 0 0 55 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.636 79.5 102.6 -79.1 -14.4 5.8 -24.7 4.6 23 23 A H S X S- 0 0 52 -3,-1.7 3,-2.2 -4,-0.3 -21,-0.2 -0.562 71.7-140.2 -79.0 128.5 5.9 -22.1 1.9 24 24 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 260,-0.1 0.553 96.7 71.1 -69.6 -5.2 7.5 -18.9 3.1 25 25 A T T 3 S+ 0 0 0 -23,-0.2 -21,-2.4 -24,-0.1 2,-0.2 0.711 81.2 90.9 -76.9 -19.7 5.0 -16.8 1.1 26 26 A V E < +a 4 0A 0 -3,-2.2 -24,-1.7 -6,-0.2 -21,-0.2 -0.579 44.5 164.3 -76.3 137.1 2.4 -17.9 3.6 27 27 A G E + 0 0 0 -23,-3.1 31,-2.1 1,-0.4 2,-0.3 0.475 61.3 7.1-124.2 -20.4 2.2 -15.5 6.6 28 28 A G E -ac 5 58A 0 -24,-1.7 -22,-2.0 29,-0.2 2,-0.4 -0.996 53.6-135.0-161.3 161.0 -1.1 -16.6 8.1 29 29 A V E -ac 6 59A 0 29,-2.6 31,-2.7 -2,-0.3 2,-0.5 -0.989 18.5-151.3-120.3 127.6 -4.1 -19.0 8.2 30 30 A I E - c 0 60A 4 -24,-2.8 -22,-0.4 -2,-0.4 2,-0.3 -0.882 16.7-150.0-100.1 130.8 -7.6 -17.8 8.5 31 31 A L E - c 0 61A 0 29,-3.0 31,-0.6 -2,-0.5 2,-0.2 -0.718 13.3-173.0-102.1 151.9 -10.0 -20.2 10.2 32 32 A F > - 0 0 29 -2,-0.3 3,-1.8 -24,-0.1 4,-0.1 -0.722 46.0 -87.5-129.2 177.4 -13.7 -20.7 9.7 33 33 A G G > S+ 0 0 37 1,-0.3 3,-1.9 -2,-0.2 39,-0.1 0.842 123.3 64.2 -53.6 -33.2 -16.5 -22.7 11.4 34 34 A R G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -26,-0.1 -3,-0.0 0.612 96.8 55.2 -72.6 -13.4 -15.6 -25.6 9.1 35 35 A N G < S+ 0 0 0 -3,-1.8 2,-0.5 1,-0.1 -1,-0.3 0.343 98.3 81.4 -95.4 6.2 -12.2 -25.9 10.8 36 36 A Y < + 0 0 18 -3,-1.9 3,-0.1 1,-0.1 -1,-0.1 -0.918 32.2 143.0-123.4 112.5 -13.9 -26.2 14.2 37 37 A H S S- 0 0 110 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.785 75.6 -23.0-101.8 -49.5 -15.3 -29.4 15.7 38 38 A D > - 0 0 57 1,-0.1 4,-2.3 36,-0.0 -1,-0.4 -0.967 67.5 -91.9-158.6 167.8 -14.4 -29.1 19.4 39 39 A N H > S+ 0 0 39 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.884 121.4 45.9 -54.1 -48.2 -12.0 -27.4 21.8 40 40 A Q H > S+ 0 0 161 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 112.2 50.7 -63.1 -49.3 -9.4 -30.2 21.8 41 41 A Q H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 109.0 53.4 -53.3 -41.5 -9.5 -30.7 18.0 42 42 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.916 108.8 47.0 -65.4 -44.9 -8.9 -26.9 17.6 43 43 A L H X S+ 0 0 77 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.926 113.0 50.9 -58.6 -44.9 -5.8 -26.9 19.8 44 44 A A H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.910 111.6 47.5 -61.3 -42.8 -4.6 -29.9 17.9 45 45 A L H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.918 111.8 48.3 -65.9 -46.2 -5.2 -28.2 14.6 46 46 A N H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.894 111.3 50.8 -64.3 -37.2 -3.5 -24.9 15.6 47 47 A K H X S+ 0 0 130 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.908 111.2 48.9 -64.7 -41.6 -0.4 -26.9 16.9 48 48 A A H X S+ 0 0 19 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.930 109.1 52.5 -63.6 -44.3 -0.3 -28.8 13.6 49 49 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.933 112.6 45.5 -54.1 -45.0 -0.5 -25.5 11.7 50 50 A R H X>S+ 0 0 58 -4,-2.2 4,-1.5 1,-0.2 5,-0.5 0.851 114.4 47.9 -71.4 -34.2 2.5 -24.1 13.7 51 51 A Q H <5S+ 0 0 133 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.932 109.8 51.7 -67.5 -47.1 4.5 -27.3 13.3 52 52 A A H <5S+ 0 0 24 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 112.8 45.9 -60.0 -37.3 3.9 -27.5 9.6 53 53 A A H <5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.833 85.7-162.8 -73.4 -35.0 5.1 -23.9 9.1 54 54 A A T <5 + 0 0 88 -4,-1.5 -3,-0.1 -5,-0.2 -4,-0.1 0.832 65.9 68.5 51.5 34.6 8.1 -24.5 11.4 55 55 A R S S+F 68 0B 2 3,-2.0 3,-1.7 -3,-0.2 16,-0.3 -0.306 79.9 37.6 104.0 162.8 -19.7 -11.8 18.6 66 66 A G T 3 S+ 0 0 3 12,-3.0 3,-0.2 1,-0.3 -1,-0.1 -0.403 128.4 5.5 69.2-121.0 -23.3 -12.0 17.5 67 67 A R T 3 S+ 0 0 112 -2,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.711 132.9 55.0 -73.0 -16.9 -23.8 -12.9 13.8 68 68 A V E < +F 65 0B 17 -3,-1.7 -4,-2.4 2,-0.0 -3,-2.0 -0.776 63.7 119.5-123.4 86.9 -20.0 -13.5 13.4 69 69 A Q E -F 63 0B 3 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.781 34.5-171.5-144.8 103.4 -18.5 -16.0 15.8 70 70 A R S S+ 0 0 82 -8,-1.1 2,-0.7 -2,-0.3 -34,-0.1 0.777 78.3 50.0 -65.3 -34.5 -16.9 -19.0 14.2 71 71 A F + 0 0 0 1,-0.1 -1,-0.2 3,-0.0 3,-0.0 -0.920 62.6 138.3-113.5 106.4 -16.3 -20.9 17.3 72 72 A R > + 0 0 112 -2,-0.7 3,-2.3 1,-0.1 2,-0.3 0.789 46.3 79.0-112.3 -56.5 -19.4 -21.1 19.6 73 73 A E T 3 S+ 0 0 160 1,-0.3 3,-0.1 -36,-0.0 -34,-0.1 -0.427 110.8 13.2 -60.5 119.0 -19.8 -24.6 21.0 74 74 A G T 3 S+ 0 0 39 1,-0.4 2,-0.3 -2,-0.3 -1,-0.3 0.462 116.6 91.1 90.9 1.9 -17.4 -24.9 24.0 75 75 A F S < S- 0 0 19 -3,-2.3 -1,-0.4 3,-0.0 2,-0.4 -0.842 88.8 -96.5-119.8 161.8 -16.8 -21.2 24.0 76 76 A S - 0 0 12 -2,-0.3 2,-0.3 24,-0.1 28,-0.1 -0.648 46.2-116.4 -73.1 133.6 -18.5 -18.4 25.8 77 77 A R - 0 0 73 -2,-0.4 243,-0.1 236,-0.1 -5,-0.1 -0.551 26.9-150.6 -71.9 131.4 -21.1 -16.8 23.5 78 78 A I - 0 0 1 -2,-0.3 -12,-3.0 -12,-0.1 3,-0.1 -0.904 16.8-123.9-107.0 132.3 -20.3 -13.2 22.7 79 79 A P - 0 0 0 0, 0.0 5,-0.1 0, 0.0 241,-0.0 -0.229 38.5 -77.3 -72.2 164.4 -23.2 -10.8 21.9 80 80 A P > - 0 0 13 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.354 44.6-118.3 -51.3 136.0 -23.7 -8.8 18.8 81 81 A A G > S+ 0 0 4 -16,-0.3 3,-0.7 1,-0.3 4,-0.5 0.800 112.4 67.7 -50.0 -31.3 -21.4 -5.7 19.0 82 82 A Q G 3 S+ 0 0 30 47,-2.0 4,-0.5 1,-0.2 3,-0.4 0.829 85.6 69.6 -56.3 -36.4 -24.5 -3.6 18.9 83 83 A Y G X> S+ 0 0 24 -3,-2.1 3,-1.5 46,-0.3 4,-0.9 0.823 82.9 69.1 -58.3 -37.8 -25.7 -4.8 22.4 84 84 A Y G X4 S+ 0 0 0 -3,-0.7 3,-1.9 -4,-0.5 -1,-0.2 0.930 98.0 48.3 -50.2 -56.4 -23.1 -3.1 24.5 85 85 A A G 34 S+ 0 0 35 -4,-0.5 -1,-0.3 47,-0.4 5,-0.2 0.652 106.5 61.0 -65.9 -11.2 -24.3 0.5 24.0 86 86 A R G <4 S+ 0 0 121 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.656 90.8 80.1 -88.0 -17.9 -27.9 -0.7 24.7 87 87 A A S X< S- 0 0 13 -3,-1.9 3,-0.5 -4,-0.9 4,-0.1 -0.351 91.3-115.8 -76.0 167.5 -27.0 -1.8 28.3 88 88 A E T 3 S+ 0 0 199 1,-0.3 2,-0.2 2,-0.1 3,-0.1 0.686 116.0 40.2 -83.2 -16.9 -26.8 0.7 31.1 89 89 A N T 3> S+ 0 0 56 -5,-0.1 4,-2.3 1,-0.1 -1,-0.3 -0.572 74.7 153.9-121.7 68.7 -23.1 0.0 31.6 90 90 A G H <> + 0 0 7 -3,-0.5 4,-2.2 2,-0.2 5,-0.1 0.838 69.5 49.1 -70.0 -38.6 -22.1 -0.3 27.9 91 91 A V H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.952 113.2 47.9 -65.4 -47.4 -18.4 0.6 28.2 92 92 A E H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.910 116.3 43.5 -59.1 -44.0 -17.9 -1.8 31.1 93 93 A L H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.849 110.1 55.5 -72.7 -33.7 -19.7 -4.6 29.2 94 94 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.836 107.5 49.3 -68.6 -34.4 -17.9 -3.9 25.9 95 95 A E H X S+ 0 0 39 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.864 110.8 51.5 -71.2 -35.7 -14.5 -4.2 27.5 96 96 A Q H X S+ 0 0 31 -4,-1.4 4,-2.4 -5,-0.2 5,-0.2 0.934 109.5 49.5 -64.5 -45.6 -15.6 -7.5 29.1 97 97 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.910 113.4 46.7 -58.0 -44.5 -16.8 -8.8 25.7 98 98 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.928 114.5 44.4 -66.5 -47.5 -13.5 -7.8 24.1 99 99 A W H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.882 116.3 48.3 -63.3 -38.6 -11.3 -9.3 26.8 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.924 112.2 46.6 -74.4 -44.8 -13.4 -12.5 26.9 101 101 A M H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.954 118.2 43.2 -57.4 -50.6 -13.5 -13.1 23.2 102 102 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.888 112.3 53.2 -64.8 -40.5 -9.7 -12.4 22.9 103 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.889 109.1 47.6 -66.8 -40.7 -8.9 -14.5 26.0 104 104 A E H < S+ 0 0 2 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.872 110.7 51.5 -70.4 -34.3 -10.7 -17.6 24.9 105 105 A L H ><>S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.2 5,-1.8 0.970 111.4 48.4 -61.8 -50.6 -9.1 -17.4 21.4 106 106 A I H ><5S+ 0 0 2 -4,-2.4 3,-2.5 1,-0.3 192,-0.3 0.899 103.4 59.8 -55.9 -44.8 -5.7 -17.2 23.0 107 107 A A T 3<5S+ 0 0 4 -4,-2.3 193,-0.5 1,-0.3 -1,-0.3 0.689 108.0 48.9 -56.2 -17.6 -6.4 -20.1 25.3 108 108 A H T < 5S- 0 0 2 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.102 124.1-101.6-115.2 20.6 -6.9 -22.1 22.1 109 109 A D T < 5S+ 0 0 37 -3,-2.5 2,-0.5 189,-0.3 -3,-0.2 0.790 73.7 142.6 69.4 29.5 -3.7 -21.0 20.4 110 110 A V < - 0 0 0 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.895 40.0-155.5 -99.9 130.1 -5.3 -18.4 18.1 111 111 A D - 0 0 4 -52,-1.0 45,-0.4 -2,-0.5 2,-0.3 0.919 64.6 -8.7 -68.5 -46.2 -3.3 -15.2 17.5 112 112 A L E -d 60 0A 0 -53,-1.8 -51,-1.1 43,-0.1 2,-0.4 -0.989 46.7-135.1-154.4 156.2 -6.1 -12.7 16.6 113 113 A S E -d 61 0A 0 43,-0.4 2,-1.5 -2,-0.3 45,-0.3 -0.922 38.2-116.7-106.2 141.7 -9.7 -12.0 15.8 114 114 A F + 0 0 0 -53,-2.1 43,-0.1 -2,-0.4 3,-0.1 -0.671 66.5 174.9 -78.8 91.7 -10.4 -9.7 12.9 115 115 A A + 0 0 1 -2,-1.5 43,-2.5 1,-0.2 -2,-0.2 -0.957 23.7 43.4-169.9 156.9 -12.1 -7.0 15.0 116 116 A P - 0 0 1 0, 0.0 44,-1.7 0, 0.0 2,-0.5 0.302 54.0-139.8 -91.6 157.4 -13.4 -4.5 15.9 117 117 A V B -g 160 0C 3 13,-0.3 15,-0.5 42,-0.2 44,-0.2 -0.653 20.4-178.6 -68.3 123.4 -16.0 -3.5 13.4 118 118 A L + 0 0 0 42,-4.2 43,-0.2 -2,-0.5 -1,-0.1 0.227 37.3 125.2-110.8 11.6 -15.7 0.3 13.3 119 119 A D - 0 0 0 41,-0.5 2,-0.4 11,-0.1 14,-0.4 -0.375 56.1-130.7 -68.9 152.7 -18.5 0.8 10.7 120 120 A M + 0 0 24 11,-0.1 14,-0.2 14,-0.1 16,-0.1 -0.903 60.8 18.7-115.1 132.4 -21.3 3.2 11.7 121 121 A G - 0 0 15 12,-2.4 12,-0.1 -2,-0.4 10,-0.1 -0.082 63.9-117.5 98.6 163.5 -25.0 2.5 11.4 122 122 A F S S+ 0 0 55 1,-0.1 -1,-0.1 5,-0.1 7,-0.1 0.413 84.1 96.8-115.9 -3.3 -27.1 -0.7 11.1 123 123 A A + 0 0 80 43,-0.2 2,-0.7 5,-0.1 44,-0.1 0.583 59.5 88.7 -72.6 -11.7 -28.8 -0.1 7.7 124 124 A C S >> S- 0 0 7 42,-0.5 4,-1.8 1,-0.2 3,-1.3 -0.807 75.5-143.7 -87.7 115.8 -26.3 -2.2 5.6 125 125 A K T 34 S+ 0 0 196 -2,-0.7 4,-0.2 1,-0.3 -1,-0.2 0.795 97.4 50.8 -50.9 -36.0 -27.7 -5.7 5.7 126 126 A A T 34 S+ 0 0 54 2,-0.1 -1,-0.3 1,-0.1 -3,-0.1 0.757 120.6 33.7 -77.6 -26.8 -24.3 -7.3 5.9 127 127 A I T X4 S+ 0 0 1 -3,-1.3 3,-1.9 38,-0.2 -2,-0.2 0.900 83.1 129.7 -87.4 -69.4 -23.1 -5.1 8.8 128 128 A G G >< S+ 0 0 11 -4,-1.8 3,-1.6 1,-0.3 -4,-0.1 -0.244 85.2 3.2 55.6-128.8 -26.4 -4.6 10.8 129 129 A N G 3 S+ 0 0 37 1,-0.3 -47,-2.0 -4,-0.2 -1,-0.3 0.330 112.9 86.4 -77.4 14.1 -25.9 -5.4 14.4 130 130 A R G < S+ 0 0 34 -3,-1.9 -13,-0.3 -49,-0.2 -1,-0.3 0.607 75.2 88.8 -80.5 -13.6 -22.2 -6.1 13.9 131 131 A A S < S- 0 0 0 -3,-1.6 -11,-0.1 -10,-0.1 -13,-0.1 -0.627 77.6-138.7 -86.0 145.2 -21.7 -2.3 14.4 132 132 A F S S- 0 0 4 -15,-0.5 -47,-0.4 -13,-0.4 2,-0.3 0.677 75.6 -23.0 -74.6 -18.1 -21.2 -0.9 17.9 133 133 A G - 0 0 3 -14,-0.4 -12,-2.4 -12,-0.1 -1,-0.1 -0.977 52.6-109.5-178.3 177.9 -23.4 2.1 17.2 134 134 A E S S+ 0 0 121 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.212 93.6 47.0-116.1 4.5 -25.2 4.5 14.8 135 135 A D S > S- 0 0 71 1,-0.1 4,-2.1 -14,-0.1 5,-0.2 -0.964 89.1-103.4-144.2 162.4 -23.2 7.7 15.5 136 136 A V H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.871 115.4 46.3 -53.9 -43.6 -19.6 8.6 15.9 137 137 A Q H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.880 111.7 49.0 -76.2 -35.2 -19.5 8.9 19.7 138 138 A T H > S+ 0 0 33 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.915 114.3 46.4 -67.9 -44.2 -21.3 5.6 20.5 139 139 A V H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.4 0.967 116.9 43.1 -59.9 -55.5 -19.1 3.7 18.1 140 140 A L H X S+ 0 0 25 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.932 114.7 50.2 -56.5 -50.0 -15.8 5.2 19.4 141 141 A K H X S+ 0 0 126 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.925 120.9 33.3 -56.0 -48.6 -16.9 4.9 23.0 142 142 A H H X S+ 0 0 12 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.828 116.9 51.0 -86.9 -31.1 -17.9 1.2 22.7 143 143 A S H X S+ 0 0 0 -4,-3.4 4,-2.7 -5,-0.2 5,-0.2 0.889 108.8 54.5 -70.3 -37.3 -15.3 -0.0 20.1 144 144 A S H X S+ 0 0 24 -4,-2.2 4,-2.9 -5,-0.4 5,-0.2 0.946 108.9 48.9 -59.3 -46.9 -12.5 1.5 22.2 145 145 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.965 113.2 45.3 -54.0 -57.1 -13.8 -0.4 25.2 146 146 A F H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.906 114.4 50.3 -51.3 -42.8 -13.9 -3.7 23.3 147 147 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.871 104.8 55.6 -72.1 -39.6 -10.5 -3.0 21.8 148 148 A R H X S+ 0 0 124 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.843 106.3 53.8 -58.5 -34.7 -9.0 -2.2 25.3 149 149 A G H X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.897 108.0 48.8 -67.6 -40.2 -10.2 -5.7 26.4 150 150 A M H ><>S+ 0 0 0 -4,-1.5 5,-2.1 1,-0.2 3,-0.7 0.952 112.7 48.4 -61.1 -49.3 -8.4 -7.3 23.4 151 151 A K H ><5S+ 0 0 71 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.834 101.0 64.3 -62.8 -37.8 -5.2 -5.5 24.2 152 152 A A H 3<5S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 105.7 44.3 -60.1 -35.9 -5.3 -6.4 27.9 153 153 A V T <<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.7 143,-0.3 0.308 125.0-101.8 -89.4 9.7 -4.8 -10.1 27.0 154 154 A G T < 5S+ 0 0 11 -3,-1.8 141,-2.7 1,-0.3 2,-0.5 0.758 72.5 144.5 82.8 24.5 -2.1 -9.3 24.5 155 155 A M < - 0 0 2 -5,-2.1 -1,-0.3 139,-0.2 -43,-0.1 -0.855 47.3-126.4-100.2 128.9 -4.2 -9.7 21.3 156 156 A A - 0 0 5 -2,-0.5 -43,-0.4 136,-0.5 2,-0.3 -0.357 27.2-128.4 -69.2 154.7 -3.5 -7.4 18.3 157 157 A T - 0 0 0 40,-0.1 43,-2.2 -45,-0.1 42,-0.7 -0.819 16.6-164.2-115.9 145.6 -6.4 -5.4 16.9 158 158 A T E - h 0 200C 0 -43,-2.5 2,-0.3 -2,-0.3 43,-0.3 -0.936 11.4-151.4-131.4 107.4 -7.8 -5.0 13.4 159 159 A G E - h 0 201C 0 41,-2.2 43,-3.1 -2,-0.5 3,-0.4 -0.592 29.6-128.5 -73.8 136.7 -10.2 -2.1 12.6 160 160 A K E +gh 117 202C 2 -44,-1.7 -42,-4.2 -2,-0.3 -41,-0.5 -0.984 59.2 6.1-144.9 156.2 -12.7 -2.8 9.7 161 161 A H E > S- 0 0 24 41,-0.6 3,-2.1 -2,-0.3 43,-0.3 0.049 80.1-131.0-119.3 101.3 -13.9 -2.1 7.2 162 162 A F E 3 S+ h 0 203C 0 40,-2.0 42,-3.6 -3,-0.4 -1,-0.1 -0.135 85.5 11.9 -59.0 137.3 -11.9 1.0 6.3 163 163 A P T 3 S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 26,-0.2 -0.923 126.9 -71.2 -91.2 15.3 -13.0 3.7 5.4 164 164 A G < - 0 0 1 -3,-2.1 3,-0.2 -45,-0.1 -2,-0.1 0.035 32.7-166.2 131.5 122.2 -16.5 2.6 6.5 165 165 A H > + 0 0 27 1,-0.1 3,-0.9 20,-0.1 -38,-0.2 0.250 63.4 104.2-111.5 4.6 -19.0 0.1 5.3 166 166 A G T 3 S+ 0 0 3 1,-0.2 -42,-0.5 -5,-0.1 -43,-0.2 0.714 79.6 45.1 -67.0 -25.4 -22.0 1.4 7.4 167 167 A A T 3 S+ 0 0 27 -3,-0.2 2,-0.6 -44,-0.1 -1,-0.2 0.385 72.4 129.5-103.1 3.2 -23.9 3.2 4.7 168 168 A V < 0 0 14 -3,-0.9 -43,-0.2 9,-0.1 9,-0.1 -0.422 360.0 360.0 -61.5 109.2 -23.8 0.7 1.8 169 169 A I 0 0 164 -2,-0.6 7,-0.3 7,-0.4 -45,-0.1 -0.551 360.0 360.0-103.5 360.0 -27.4 0.4 0.7 170 ! 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 0.0 171 173 A H 0 0 242 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 32.1 -26.0 -4.9 -8.7 172 174 A L - 0 0 115 2,-0.3 4,-0.0 4,-0.0 0, 0.0 -0.748 360.0 -85.1-120.9 174.2 -22.4 -5.1 -9.9 173 175 A E S S+ 0 0 127 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.542 116.9 44.9 -53.3 -4.2 -19.5 -7.4 -8.8 174 176 A T S S- 0 0 11 33,-0.0 -2,-0.3 32,-0.0 32,-0.1 -0.989 84.0-117.9-152.7 133.7 -18.9 -4.7 -6.2 175 177 A P - 0 0 54 0, 0.0 32,-2.1 0, 0.0 2,-0.3 -0.309 29.4-146.9 -70.3 154.0 -21.0 -2.6 -3.7 176 178 A Y B -j 207 0D 85 -7,-0.3 -7,-0.4 30,-0.2 2,-0.4 -0.909 18.7-168.4-126.9 146.8 -21.1 1.2 -3.9 177 179 A D - 0 0 5 30,-2.3 33,-0.3 -2,-0.3 -9,-0.1 -0.896 11.6-178.9-132.9 102.5 -21.5 4.1 -1.4 178 180 A E + 0 0 153 -2,-0.4 30,-0.1 30,-0.1 -1,-0.0 0.282 30.0 133.1 -89.7 9.5 -22.2 7.2 -3.4 179 181 A R - 0 0 77 1,-0.2 31,-0.3 2,-0.0 3,-0.1 -0.279 57.6-134.8 -61.9 147.8 -22.4 9.9 -0.6 180 182 A E S S+ 0 0 151 1,-0.2 2,-0.3 30,-0.1 -1,-0.2 0.611 92.1 32.2 -82.9 -9.9 -20.3 13.0 -1.5 181 183 A T + 0 0 83 1,-0.0 -1,-0.2 30,-0.0 3,-0.1 -0.994 49.4 173.2-139.3 139.9 -18.9 12.9 2.0 182 184 A I > + 0 0 1 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.020 40.4 130.5-124.3 30.6 -18.1 10.1 4.3 183 185 A A H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.832 70.0 49.2 -55.4 -43.6 -16.4 12.3 6.9 184 186 A Q H > S+ 0 0 127 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.960 113.1 47.3 -64.0 -48.4 -18.3 11.0 9.9 185 187 A D H > S+ 0 0 4 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.916 116.7 44.4 -56.1 -44.1 -17.6 7.3 9.0 186 188 A M H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.799 101.5 67.7 -73.4 -29.5 -14.0 8.1 8.4 187 189 A A H X S+ 0 0 31 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.843 95.9 56.9 -58.4 -37.5 -13.7 10.2 11.6 188 190 A I H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.957 109.7 43.5 -57.4 -52.2 -14.2 7.0 13.6 189 191 A F H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.897 112.0 55.0 -60.6 -42.4 -11.2 5.4 11.9 190 192 A R H X S+ 0 0 90 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.928 107.8 48.0 -58.1 -48.4 -9.2 8.6 12.2 191 193 A A H X S+ 0 0 33 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.877 112.3 48.4 -59.6 -41.2 -9.7 8.8 16.0 192 194 A Q H <>S+ 0 0 7 -4,-1.8 5,-1.9 2,-0.2 6,-0.4 0.891 114.6 46.0 -70.3 -37.9 -8.7 5.1 16.6 193 195 A I H ><5S+ 0 0 15 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.959 112.2 50.3 -65.2 -50.6 -5.6 5.5 14.4 194 196 A E H 3<5S+ 0 0 140 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.809 107.2 55.4 -59.5 -28.9 -4.6 8.8 16.2 195 197 A A T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.470 108.7-128.9 -80.6 -1.6 -5.1 7.0 19.5 196 198 A G T < 5S+ 0 0 60 -3,-2.4 -3,-0.2 -4,-0.1 -2,-0.1 0.753 70.9 124.5 58.7 31.0 -2.6 4.3 18.4 197 199 A V < + 0 0 31 -5,-1.9 2,-0.6 -41,-0.0 -4,-0.1 0.425 45.0 83.3-103.0 1.2 -4.9 1.4 19.2 198 200 A L - 0 0 13 -6,-0.4 36,-0.2 -5,-0.2 37,-0.2 -0.910 45.7-177.5-110.8 119.4 -5.1 -0.4 15.9 199 201 A D S S+ 0 0 33 -42,-0.7 37,-2.2 -2,-0.6 2,-0.3 0.763 75.8 11.5 -79.0 -24.5 -2.4 -2.9 15.1 200 202 A A E -hi 158 236C 0 -43,-2.2 -41,-2.2 35,-0.2 2,-0.4 -0.954 64.0-144.3-150.2 163.9 -4.0 -3.6 11.7 201 203 A M E -hi 159 237C 0 35,-2.7 37,-3.0 -2,-0.3 -41,-0.2 -0.998 2.0-160.6-137.3 133.3 -6.6 -2.4 9.3 202 204 A M E -h 160 0C 20 -43,-3.1 -40,-2.0 -2,-0.4 -41,-0.6 -0.967 21.1-143.3-111.4 125.5 -8.9 -4.2 6.9 203 205 A P E -h 162 0C 4 0, 0.0 2,-0.2 0, 0.0 -41,-0.2 -0.427 17.8-106.7 -85.7 161.3 -10.4 -2.1 4.1 204 206 A A - 0 0 2 -42,-3.6 13,-1.8 -43,-0.3 2,-1.4 -0.591 14.9-131.2 -84.9 144.4 -13.9 -2.4 2.6 205 207 A H S S+ 0 0 43 -2,-0.2 2,-0.3 11,-0.2 -1,-0.1 -0.557 72.7 116.1 -86.7 68.9 -14.6 -3.9 -0.8 206 208 A V - 0 0 0 -2,-1.4 10,-2.7 -32,-0.1 2,-0.4 -0.989 61.9-133.5-142.7 138.1 -16.7 -0.8 -1.7 207 209 A V B -j 176 0D 3 -32,-2.1 -30,-2.3 -2,-0.3 6,-0.1 -0.829 8.3-162.7 -94.9 132.5 -16.3 1.9 -4.3 208 210 A Y >> - 0 0 1 6,-0.5 3,-3.2 4,-0.4 4,-2.1 -0.817 8.9-169.1-113.2 88.4 -16.7 5.5 -3.2 209 211 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 0.766 81.9 60.8 -57.6 -34.2 -17.2 7.2 -6.6 210 212 A H T 34 S+ 0 0 113 -31,-0.3 3,-0.1 -33,-0.3 -30,-0.1 0.809 120.1 27.8 -55.2 -28.5 -16.9 10.7 -5.3 211 213 A Y T <4 S- 0 0 54 -3,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.801 129.2 -13.5-109.3 -37.7 -13.4 9.7 -4.2 212 214 A D < - 0 0 41 -4,-2.1 -4,-0.4 1,-0.1 -1,-0.4 -0.967 47.8-126.8-170.0 148.8 -11.9 7.0 -6.3 213 215 A A S S+ 0 0 79 -2,-0.3 -1,-0.1 -6,-0.1 3,-0.0 0.720 86.0 81.5 -77.0 -24.4 -13.0 4.4 -9.0 214 216 A Q S S- 0 0 71 -6,-0.1 -6,-0.5 1,-0.1 5,-0.1 -0.614 91.3-104.4 -86.7 142.0 -11.4 1.5 -7.2 215 217 A P > - 0 0 20 0, 0.0 3,-2.3 0, 0.0 -8,-0.3 -0.368 41.7-113.3 -51.6 142.5 -13.0 -0.5 -4.3 216 218 A A G > S+ 0 0 0 -10,-2.7 3,-1.7 1,-0.3 -11,-0.2 0.843 114.4 65.7 -54.0 -35.5 -11.1 0.7 -1.2 217 219 A S G 3 S+ 0 0 1 -13,-1.8 23,-0.3 1,-0.3 -1,-0.3 0.638 115.5 28.7 -62.4 -14.4 -9.5 -2.7 -0.7 218 220 A G G < S+ 0 0 12 -3,-2.3 2,-0.6 21,-0.1 -1,-0.3 0.031 96.5 118.7-131.5 26.2 -7.6 -2.3 -4.0 219 221 A S <> - 0 0 0 -3,-1.7 4,-3.0 1,-0.1 5,-0.3 -0.863 48.4-162.5-110.0 116.9 -7.3 1.5 -4.1 220 222 A S H >>S+ 0 0 51 -2,-0.6 5,-1.8 2,-0.2 4,-1.6 0.850 98.0 53.7 -56.5 -38.6 -4.0 3.3 -4.1 221 223 A Y H 4>S+ 0 0 63 3,-0.2 5,-2.8 2,-0.2 6,-0.3 0.989 115.7 36.2 -58.9 -59.5 -5.9 6.4 -3.1 222 224 A W H 4>S+ 0 0 0 1,-0.2 5,-2.3 3,-0.2 -2,-0.2 0.877 123.9 39.9 -65.4 -40.2 -7.6 4.8 -0.1 223 225 A L H <5S+ 0 0 0 -4,-3.0 -1,-0.2 37,-0.2 -3,-0.2 0.757 133.3 14.9 -87.3 -24.4 -4.7 2.6 1.1 224 226 A K T X>S+ 0 0 97 -4,-1.6 5,-2.6 -5,-0.3 4,-0.8 0.781 127.3 41.1-114.4 -62.1 -1.8 5.0 0.5 225 227 A Q I 4XS+ 0 0 88 -5,-1.8 5,-2.1 3,-0.2 -3,-0.2 0.945 133.0 21.5 -57.4 -50.0 -2.8 8.6 0.0 226 228 A V I 4XS+ 0 0 0 -5,-2.8 5,-2.2 3,-0.2 6,-0.4 0.969 128.2 42.1 -81.7 -64.9 -5.5 8.5 2.8 227 229 A L I 4 -e 266 0A 49 1,-0.2 3,-0.7 -2,-0.1 26,-0.2 -0.533 52.1-171.2 -67.8 110.0 -10.5 -11.6 -0.1 242 244 A L T 3 + 0 0 16 24,-2.9 25,-0.2 -2,-0.7 -1,-0.2 0.301 68.9 83.8 -89.1 5.4 -8.9 -11.7 -3.5 243 245 A S T 3 0 0 20 23,-0.2 -1,-0.2 25,-0.1 24,-0.1 0.831 360.0 360.0 -77.1 -28.1 -10.1 -15.2 -4.6 244 246 A M < 0 0 114 -3,-0.7 26,-0.0 0, 0.0 25,-0.0 -0.208 360.0 360.0 -55.6 360.0 -13.4 -13.5 -5.7 245 ! 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 0.0 246 251 A V 0 0 154 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.8 -10.7 -6.4 -14.1 247 252 A M - 0 0 75 1,-0.3 2,-0.3 3,-0.0 9,-0.0 0.794 360.0-118.3 -76.6 -26.0 -7.2 -6.8 -12.6 248 253 A G - 0 0 41 4,-0.1 -1,-0.3 3,-0.0 0, 0.0 -0.873 53.2 -17.3 121.1-160.2 -6.4 -10.3 -14.1 249 254 A G S >> S- 0 0 25 -2,-0.3 4,-2.9 -3,-0.1 3,-0.6 -0.124 82.9 -76.7 -76.5-179.8 -5.7 -13.6 -12.5 250 255 A P H 3> S+ 0 0 16 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.823 128.5 50.4 -47.4 -48.6 -4.7 -14.3 -8.8 251 256 A V H 3> S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.888 114.6 43.1 -61.8 -42.0 -1.0 -13.3 -9.2 252 257 A E H <> S+ 0 0 101 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.893 114.8 50.3 -71.3 -41.1 -1.9 -9.9 -10.9 253 258 A R H X S+ 0 0 55 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.927 112.4 47.3 -61.3 -44.4 -4.7 -9.4 -8.3 254 259 A S H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 -2,-0.2 0.920 113.2 49.2 -62.1 -43.2 -2.3 -10.1 -5.5 255 260 A H H X S+ 0 0 113 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.885 109.8 49.9 -63.7 -42.0 0.3 -7.8 -7.1 256 261 A Q H X S+ 0 0 38 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.907 110.8 51.1 -65.2 -39.9 -2.3 -5.0 -7.5 257 262 A A H X>S+ 0 0 2 -4,-2.3 5,-2.2 2,-0.2 4,-0.7 0.923 113.7 43.4 -61.3 -44.6 -3.3 -5.4 -3.9 258 263 A L H ><5S+ 0 0 25 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.955 115.7 48.0 -66.9 -46.8 0.3 -5.2 -2.7 259 264 A V H 3<5S+ 0 0 66 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.892 105.8 59.4 -57.5 -40.4 1.1 -2.3 -5.1 260 265 A A H 3<5S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.2 -37,-0.2 0.690 132.8 -87.2 -64.9 -21.0 -2.1 -0.5 -3.9 261 266 A G T <<5S+ 0 0 14 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.512 78.7 139.8 126.3 11.8 -0.6 -0.5 -0.3 262 267 A C < - 0 0 5 -5,-2.2 -1,-0.3 1,-0.1 -24,-0.2 -0.612 34.4-163.3 -76.6 140.9 -1.6 -3.8 1.4 263 268 A D S S+ 0 0 35 -26,-2.9 2,-0.3 -2,-0.3 -25,-0.2 0.793 80.3 24.3 -87.8 -33.1 1.1 -5.5 3.5 264 269 A M E S- e 0 238A 0 -27,-1.9 -25,-1.0 -7,-0.1 2,-0.3 -0.955 70.7-151.0-133.3 150.8 -0.8 -8.8 3.5 265 270 A I E -b 4 0A 0 -262,-2.1 -260,-2.9 -2,-0.3 2,-0.4 -0.922 8.3-142.4-124.3 146.7 -3.3 -10.4 1.1 266 271 A L E +be 5 241A 9 -26,-0.8 -24,-2.9 -2,-0.3 2,-0.4 -0.908 15.0 179.5-111.4 134.2 -6.1 -12.8 1.8 267 272 A I + 0 0 2 -262,-2.3 -260,-0.5 -2,-0.4 3,-0.3 -0.870 19.0 174.0-131.0 99.2 -7.1 -15.7 -0.5 268 273 A C + 0 0 6 -2,-0.4 -25,-0.1 1,-0.2 -262,-0.0 -0.708 55.3 9.7-103.9 156.0 -10.0 -17.7 1.0 269 274 A N S S+ 0 0 101 -2,-0.3 -1,-0.2 1,-0.1 -263,-0.0 0.742 105.0 86.8 51.7 30.2 -12.1 -20.5 -0.3 270 275 A K >> + 0 0 95 -3,-0.3 4,-1.9 -263,-0.1 3,-0.6 -0.427 45.7 176.3-156.4 80.0 -10.0 -21.0 -3.4 271 276 A R H 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 81.9 53.4 -53.4 -37.6 -7.1 -23.4 -2.9 272 277 A E H 3> S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 106.7 50.4 -76.2 -30.7 -6.0 -23.4 -6.6 273 278 A A H <> S+ 0 0 2 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.894 112.4 49.1 -64.2 -39.5 -5.8 -19.6 -6.8 274 279 A A H X S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.914 111.3 48.7 -65.3 -44.5 -3.6 -19.7 -3.6 275 280 A V H X S+ 0 0 38 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.885 108.5 54.0 -62.9 -39.8 -1.4 -22.4 -5.0 276 281 A E H X S+ 0 0 77 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.892 111.7 45.0 -62.1 -40.0 -1.1 -20.3 -8.2 277 282 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-0.3 0.927 112.7 50.0 -67.4 -46.5 0.1 -17.4 -6.1 278 283 A L H < S+ 0 0 7 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 114.5 47.1 -55.9 -40.9 2.4 -19.5 -4.0 279 284 A D H < S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.784 125.8 23.1 -70.2 -31.5 3.9 -21.0 -7.2 280 285 A N H < S+ 0 0 102 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.626 92.7 94.3-120.7 -20.3 4.4 -17.7 -9.2 281 286 A L S < S- 0 0 14 -4,-2.5 3,-0.1 -5,-0.2 -256,-0.0 -0.606 79.3-111.3 -78.8 132.5 4.7 -14.7 -6.9 282 287 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.354 42.4 -99.3 -59.3 144.8 8.2 -13.7 -6.0 283 288 A I + 0 0 110 -281,-0.1 2,-0.3 -3,-0.0 -258,-0.1 -0.463 47.0 176.4 -70.0 125.8 8.9 -14.3 -2.3 284 289 A M - 0 0 82 -2,-0.3 2,-0.3 -260,-0.1 -3,-0.0 -0.963 21.7-133.8-127.1 150.6 8.7 -11.3 -0.1 285 290 A E - 0 0 125 -2,-0.3 -283,-0.2 -283,-0.1 3,-0.1 -0.760 8.8-164.7-102.5 147.6 9.0 -11.1 3.7 286 291 A V > + 0 0 7 -285,-3.2 3,-2.2 -2,-0.3 4,-0.2 -0.581 19.9 164.9-126.6 68.3 6.6 -9.1 6.0 287 292 A P G > S+ 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.791 70.9 63.5 -63.3 -27.3 8.7 -8.9 9.2 288 293 A Q G > S+ 0 0 96 1,-0.3 3,-1.1 2,-0.2 -52,-0.1 0.612 85.1 75.4 -76.1 -10.0 6.5 -6.3 10.7 289 294 A A G X S+ 0 0 0 -3,-2.2 3,-1.6 1,-0.2 -1,-0.3 0.586 76.1 79.4 -70.5 -9.3 3.6 -8.7 10.7 290 295 A E G X S+ 0 0 79 -3,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.758 75.2 73.1 -72.4 -18.0 5.2 -10.3 13.7 291 296 A A G < S+ 0 0 59 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.662 89.3 63.3 -64.2 -14.7 3.8 -7.5 15.8 292 297 A L G < S+ 0 0 1 -3,-1.6 -136,-0.5 -4,-0.1 -1,-0.2 0.557 74.2 109.6 -87.6 -11.3 0.4 -9.4 15.3 293 298 A L S < S- 0 0 41 -3,-1.4 -235,-0.1 -4,-0.2 -182,-0.0 -0.433 85.4 -97.7 -63.7 136.5 1.5 -12.6 17.1 294 299 A K - 0 0 36 1,-0.1 -139,-0.2 -2,-0.1 -140,-0.1 -0.252 27.0-147.7 -57.3 148.4 -0.4 -12.9 20.4 295 300 A K S S+ 0 0 147 -141,-2.7 2,-0.3 -184,-0.1 -141,-0.1 0.458 72.7 57.2-101.4 -2.8 1.7 -11.6 23.4 296 301 A Q - 0 0 84 -142,-0.3 2,-0.4 -143,-0.3 -143,-0.0 -0.856 60.5-157.8-126.1 164.3 0.4 -14.0 26.0 297 302 A Q + 0 0 174 -2,-0.3 2,-0.3 2,-0.0 -190,-0.1 -0.971 28.2 128.1-144.8 125.7 0.1 -17.7 26.5 298 303 A F - 0 0 38 -2,-0.4 -189,-0.3 -192,-0.3 2,-0.1 -0.979 44.8-108.3-168.5 161.9 -2.2 -19.7 28.7 299 304 A S > - 0 0 45 -2,-0.3 4,-1.9 1,-0.1 -191,-0.1 -0.467 33.7-110.2 -93.7 168.3 -4.7 -22.6 28.7 300 305 A Y H > S+ 0 0 35 -193,-0.5 4,-2.5 2,-0.2 5,-0.1 0.878 116.7 50.5 -66.2 -42.8 -8.5 -22.5 29.1 301 306 A S H 4 S+ 0 0 68 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.881 108.8 52.2 -71.2 -33.0 -8.6 -23.9 32.5 302 307 A E H >4 S+ 0 0 102 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.927 110.9 50.0 -58.5 -43.2 -5.9 -21.4 33.7 303 308 A L H >< S+ 0 0 6 -4,-1.9 3,-2.3 1,-0.2 6,-0.4 0.913 102.1 59.6 -61.0 -47.1 -8.2 -18.7 32.3 304 309 A K T 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.544 91.8 70.3 -62.5 -8.5 -11.3 -19.9 34.0 305 310 A R T < S+ 0 0 162 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.3 0.603 78.9 96.8 -84.8 -12.8 -9.6 -19.4 37.4 306 311 A L S X> S- 0 0 76 -3,-2.3 4,-2.3 -4,-0.2 3,-0.7 -0.648 70.1-147.6 -76.9 129.1 -9.9 -15.7 36.9 307 312 A E H 3> S+ 0 0 134 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.840 103.6 65.5 -55.3 -32.2 -12.8 -14.0 38.6 308 313 A R H 3> S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 105.3 41.5 -60.3 -38.3 -12.5 -11.7 35.5 309 314 A W H <> S+ 0 0 39 -3,-0.7 4,-2.6 -6,-0.4 5,-0.3 0.932 110.6 54.7 -73.9 -46.9 -13.5 -14.7 33.3 310 315 A Q H X S+ 0 0 83 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.893 116.8 39.6 -54.8 -41.8 -16.2 -16.1 35.6 311 316 A Q H X S+ 0 0 109 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.899 113.5 49.7 -74.4 -50.1 -17.9 -12.7 35.5 312 317 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.924 113.0 50.6 -58.2 -41.9 -17.4 -11.7 31.9 313 318 A S H X S+ 0 0 28 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.930 114.1 41.4 -62.5 -48.6 -18.8 -15.1 30.9 314 319 A A H X S+ 0 0 34 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.886 116.3 52.1 -66.6 -37.7 -21.9 -14.8 33.0 315 320 A N H X S+ 0 0 32 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.826 107.4 50.0 -67.9 -36.8 -22.3 -11.2 32.0 316 321 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.907 111.7 48.3 -69.7 -40.7 -22.1 -11.8 28.3 317 322 A Q H X S+ 0 0 79 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.942 112.3 49.6 -62.6 -46.4 -24.7 -14.6 28.5 318 323 A R H X S+ 0 0 136 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.918 110.2 51.1 -54.8 -46.3 -26.9 -12.2 30.6 319 324 A L H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.875 108.4 50.6 -63.6 -40.6 -26.5 -9.4 28.0 320 325 A I H X S+ 0 0 27 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.904 111.5 49.1 -61.5 -43.2 -27.5 -11.7 25.1 321 326 A E H >< S+ 0 0 121 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.901 105.1 60.2 -63.5 -39.8 -30.6 -12.8 27.0 322 327 A Q H 3< S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.897 118.3 23.4 -57.6 -45.1 -31.5 -9.2 27.8 323 328 A F H 3< 0 0 47 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.332 360.0 360.0-109.4 7.4 -31.8 -8.0 24.2 324 329 A S << 0 0 113 -4,-0.9 -4,-0.0 -3,-0.5 0, 0.0 -0.647 360.0 360.0 -88.9 360.0 -32.6 -11.1 22.2