==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-NOV-12 3W1V . COMPND 2 MOLECULE: CAPSULAR POLYSACCHARIDE SYNTHESIS ENZYME CAP8E; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MIYAFUSA,J.M.CAAVEIRO,Y.TANAKA,K.TSUMOTO . 693 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 51 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 1 4 0 6 1 3 6 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 4 4 0 2 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 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 0 0 0 0 2 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 -8 A G 0 0 68 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.4 -27.8 -31.5 -54.2 2 -7 A L + 0 0 16 1,-0.1 34,-0.0 2,-0.1 31,-0.0 0.467 360.0 51.5 -89.8 -1.7 -31.4 -31.3 -53.0 3 -6 A V S S- 0 0 41 4,-0.1 4,-0.1 6,-0.0 -1,-0.1 -0.994 97.5-101.2-138.4 140.2 -32.1 -33.5 -56.0 4 -5 A P > - 0 0 36 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.199 52.4 -93.8 -53.9 143.6 -30.6 -36.9 -57.2 5 -4 A R T 3 S+ 0 0 244 1,-0.3 3,-0.1 -4,-0.1 0, 0.0 -0.329 117.6 28.6 -52.9 152.1 -28.1 -36.5 -60.1 6 -3 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.478 107.0 100.0 68.2 5.1 -30.1 -37.0 -63.4 7 -2 A S < - 0 0 69 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.2 -0.815 53.5-160.8-106.3 159.2 -33.3 -35.7 -61.8 8 -1 A A - 0 0 96 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.0 -0.982 7.8-176.8-125.3 131.6 -35.0 -32.3 -61.9 9 0 A M - 0 0 84 -2,-0.4 2,-0.7 -6,-0.0 3,-0.1 -0.977 21.1-144.3-108.7 135.1 -37.5 -31.2 -59.3 10 1 A G + 0 0 29 -2,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.915 21.2 176.2 -76.0 126.4 -39.2 -27.9 -59.7 11 2 A F > + 0 0 8 -2,-0.7 3,-2.6 1,-0.1 28,-1.4 0.317 56.6 102.7 -93.3 1.3 -39.4 -27.0 -56.0 12 3 A D T 3 S+ 0 0 101 1,-0.3 -1,-0.1 26,-0.2 -2,-0.0 0.728 88.2 29.1 -64.1 -29.4 -40.9 -23.8 -57.4 13 4 A D T 3 S+ 0 0 80 -3,-0.1 -1,-0.3 26,-0.1 2,-0.3 0.076 104.3 110.2-110.1 19.7 -44.5 -24.6 -56.7 14 5 A K < - 0 0 12 -3,-2.6 26,-1.4 23,-0.2 25,-1.2 -0.739 52.9-150.1-104.5 155.8 -43.7 -26.7 -53.6 15 6 A I E -a 40 0A 6 -2,-0.3 69,-2.7 67,-0.2 70,-2.2 -0.971 6.2-164.0-127.6 124.6 -44.2 -26.2 -49.8 16 7 A L E -ab 41 85A 0 24,-2.4 26,-3.2 -2,-0.4 2,-0.5 -0.908 4.4-161.5-103.6 133.8 -42.0 -27.6 -47.1 17 8 A L E -ab 42 86A 1 68,-2.8 70,-2.9 -2,-0.4 2,-0.6 -0.963 1.8-163.8-115.1 132.2 -43.3 -27.7 -43.5 18 9 A I E > -ab 43 87A 1 24,-2.9 26,-2.2 -2,-0.5 3,-0.6 -0.952 2.4-161.4-115.3 114.1 -40.8 -28.1 -40.7 19 10 A T E 3 S+ab 44 88A 1 68,-2.0 70,-1.3 -2,-0.6 26,-0.1 -0.632 89.5 32.4 -81.5 155.6 -42.2 -29.1 -37.2 20 11 A G T > S+ 0 0 19 24,-0.9 3,-1.1 -2,-0.2 6,-0.6 0.850 87.3 159.9 71.0 26.4 -39.8 -28.4 -34.5 21 12 A G T < + 0 0 0 23,-1.8 9,-0.2 -3,-0.6 24,-0.1 0.735 61.6 48.4 -67.0 -23.0 -39.0 -25.5 -36.9 22 13 A T T 3 S+ 0 0 20 22,-0.3 -1,-0.3 4,-0.1 23,-0.1 0.614 89.8 97.8 -96.0 -12.5 -37.3 -23.1 -34.4 23 14 A G S <> S- 0 0 34 -3,-1.1 4,-2.0 1,-0.1 5,-0.1 -0.123 93.4 -99.7 -67.2 169.4 -35.0 -25.8 -32.9 24 15 A S H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.871 121.8 51.5 -68.5 -31.5 -31.3 -25.9 -34.2 25 16 A F H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.990 110.7 45.2 -64.2 -53.3 -32.1 -28.9 -36.4 26 17 A G H > S+ 0 0 1 -6,-0.6 4,-2.8 1,-0.3 -2,-0.2 0.883 112.1 57.7 -56.3 -33.4 -35.1 -27.3 -38.2 27 18 A N H X S+ 0 0 31 -4,-2.0 4,-2.1 -7,-0.2 -1,-0.3 0.907 106.5 43.1 -63.9 -45.9 -33.0 -24.2 -38.4 28 19 A A H X S+ 0 0 17 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.896 116.2 49.1 -69.7 -34.2 -30.1 -25.8 -40.4 29 20 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.943 110.0 52.8 -67.2 -43.9 -32.5 -27.7 -42.7 30 21 A M H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.940 109.6 47.3 -49.9 -52.7 -34.4 -24.4 -43.2 31 22 A K H X S+ 0 0 97 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.894 108.9 55.5 -62.1 -40.8 -31.2 -22.7 -44.2 32 23 A R H >< S+ 0 0 67 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.989 111.8 42.3 -53.8 -55.8 -30.3 -25.6 -46.5 33 24 A F H 3< S+ 0 0 0 -4,-2.9 5,-0.4 1,-0.2 3,-0.4 0.667 96.0 76.4 -70.9 -14.5 -33.7 -25.2 -48.4 34 25 A L H 3< S+ 0 0 19 -4,-1.5 2,-1.3 1,-0.3 -1,-0.2 0.891 90.5 61.9 -60.3 -33.2 -33.5 -21.3 -48.5 35 26 A D S << S+ 0 0 137 -3,-1.1 2,-0.3 -4,-0.9 -1,-0.3 -0.513 96.3 71.8 -88.9 64.3 -31.0 -21.9 -51.3 36 27 A S S S- 0 0 27 -2,-1.3 -3,-0.0 -3,-0.4 0, 0.0 -0.864 97.7 -99.4-156.0 179.5 -33.4 -23.6 -53.6 37 28 A N + 0 0 92 -2,-0.3 -23,-0.2 0, 0.0 -3,-0.1 0.216 66.3 150.0 -91.0 13.2 -36.3 -22.5 -55.7 38 29 A I - 0 0 2 -5,-0.4 -26,-0.2 1,-0.1 3,-0.1 -0.053 44.3-141.7 -47.9 137.0 -38.8 -23.8 -52.9 39 30 A K S S- 0 0 104 -28,-1.4 2,-0.3 -25,-1.2 -24,-0.2 0.931 74.5 -2.9 -68.6 -43.8 -42.0 -21.7 -52.9 40 31 A E E -a 15 0A 30 -26,-1.4 -24,-2.4 2,-0.0 2,-0.5 -0.998 50.6-157.7-153.9 137.6 -42.5 -21.6 -49.1 41 32 A I E -ac 16 63A 0 21,-3.3 23,-2.2 -2,-0.3 2,-0.6 -0.989 20.7-154.1-116.3 116.5 -40.9 -23.0 -46.0 42 33 A R E -ac 17 64A 14 -26,-3.2 -24,-2.9 -2,-0.5 2,-0.6 -0.856 0.8-153.7 -96.9 118.3 -43.4 -23.1 -43.1 43 34 A I E -ac 18 65A 0 21,-3.6 23,-3.6 -2,-0.6 2,-0.5 -0.858 16.2-169.2 -89.7 120.3 -41.9 -22.9 -39.7 44 35 A F E +ac 19 66A 4 -26,-2.2 -23,-1.8 -2,-0.6 -24,-0.9 -0.955 29.4 104.8-118.3 122.9 -44.3 -24.6 -37.2 45 36 A S E - c 0 67A 12 21,-1.8 23,-2.4 -2,-0.5 24,-0.1 -0.964 67.8-109.3-171.3-178.6 -43.9 -24.4 -33.4 46 37 A R S S+ 0 0 171 -2,-0.3 2,-1.4 21,-0.2 3,-0.2 0.355 84.1 105.4-104.9 7.5 -45.3 -22.7 -30.3 47 38 A D > + 0 0 51 1,-0.2 4,-2.2 21,-0.1 5,-0.2 -0.612 41.6 173.1 -88.3 90.2 -42.3 -20.6 -29.7 48 39 A E H > S+ 0 0 153 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.888 76.5 53.4 -71.4 -30.6 -43.7 -17.2 -30.9 49 40 A K H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 110.0 43.9 -69.9 -49.5 -40.6 -15.4 -29.7 50 41 A K H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.871 111.1 56.7 -63.6 -36.4 -38.0 -17.6 -31.6 51 42 A Q H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.934 106.7 48.9 -57.6 -42.4 -40.2 -17.4 -34.7 52 43 A D H X S+ 0 0 56 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.932 110.8 50.4 -68.4 -41.8 -40.0 -13.6 -34.6 53 44 A D H X S+ 0 0 65 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.924 112.5 46.3 -59.6 -45.8 -36.2 -13.7 -34.2 54 45 A I H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 5,-0.4 0.915 111.6 52.6 -61.7 -40.5 -35.9 -16.1 -37.2 55 46 A R H X S+ 0 0 128 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.949 114.8 40.7 -59.7 -46.6 -38.3 -13.9 -39.2 56 47 A K H < S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 114.4 52.7 -72.3 -40.3 -36.2 -10.7 -38.5 57 48 A K H < S+ 0 0 146 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 121.4 28.7 -61.1 -46.0 -32.8 -12.4 -39.0 58 49 A Y H < S- 0 0 51 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.777 75.9-167.6 -92.8 -34.2 -33.6 -14.0 -42.4 59 50 A N < + 0 0 141 -4,-2.5 2,-0.5 -5,-0.4 -3,-0.1 0.892 33.2 153.0 47.4 50.6 -36.1 -11.5 -43.8 60 51 A N > - 0 0 54 -5,-0.2 3,-1.9 1,-0.1 -1,-0.2 -0.967 50.1-142.3-125.5 127.7 -37.0 -13.9 -46.6 61 52 A S T 3 S+ 0 0 111 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.706 96.9 67.3 -65.0 -20.4 -40.2 -14.1 -48.4 62 53 A K T 3 S+ 0 0 44 -22,-0.1 -21,-3.3 -28,-0.1 2,-0.4 0.708 85.4 88.8 -66.8 -25.2 -40.2 -17.9 -48.6 63 54 A L E < -c 41 0A 11 -3,-1.9 2,-0.4 -23,-0.2 -21,-0.2 -0.677 52.0-180.0 -88.0 132.0 -40.6 -18.2 -44.8 64 55 A K E -c 42 0A 98 -23,-2.2 -21,-3.6 -2,-0.4 2,-0.6 -0.968 18.6-141.7-129.7 143.6 -43.9 -18.4 -43.1 65 56 A F E -c 43 0A 52 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.927 17.6-174.5-118.2 115.6 -44.4 -18.7 -39.3 66 57 A Y E -c 44 0A 61 -23,-3.6 -21,-1.8 -2,-0.6 2,-0.5 -0.909 17.4-141.4-110.4 134.7 -47.2 -20.9 -38.0 67 58 A I E +c 45 0A 99 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.763 49.2 110.3 -88.4 131.5 -48.1 -21.1 -34.3 68 59 A G - 0 0 5 -23,-2.4 2,-0.4 -2,-0.5 -21,-0.1 -0.964 53.8-116.8 173.0-176.4 -49.1 -24.7 -33.3 69 60 A D > - 0 0 37 -2,-0.3 3,-2.0 3,-0.2 7,-0.3 -0.989 16.5-139.1-141.3 123.7 -48.4 -27.9 -31.5 70 61 A V T 3 S+ 0 0 6 -2,-0.4 45,-0.1 1,-0.3 46,-0.1 0.718 103.8 67.0 -57.4 -23.7 -47.9 -31.4 -32.8 71 62 A R T 3 S+ 0 0 79 1,-0.1 2,-0.6 44,-0.1 -1,-0.3 0.569 92.1 67.0 -71.2 -9.6 -50.1 -32.6 -29.9 72 63 A D <> - 0 0 77 -3,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.904 67.0-160.6-117.6 110.1 -53.1 -30.9 -31.4 73 64 A S H > S+ 0 0 44 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.848 93.7 49.7 -56.5 -38.9 -54.5 -32.4 -34.8 74 65 A Q H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 109.4 52.8 -71.0 -35.5 -56.5 -29.3 -35.7 75 66 A S H > S+ 0 0 26 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.950 113.8 42.8 -61.5 -45.1 -53.4 -27.1 -35.0 76 67 A V H X S+ 0 0 2 -4,-2.2 4,-1.7 -7,-0.3 3,-0.3 0.902 109.3 57.5 -63.2 -43.9 -51.3 -29.4 -37.4 77 68 A E H X S+ 0 0 50 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.904 102.3 55.9 -59.2 -43.7 -54.1 -29.5 -40.0 78 69 A T H < S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.911 115.0 37.9 -53.1 -42.6 -54.0 -25.7 -40.2 79 70 A A H < S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.689 111.8 59.3 -84.3 -16.2 -50.3 -25.8 -41.0 80 71 A M H >< S+ 0 0 0 -4,-1.7 3,-2.3 -3,-0.3 -1,-0.2 0.620 71.4 117.8 -90.3 -21.0 -50.4 -28.9 -43.2 81 72 A R T 3< S- 0 0 113 -4,-1.2 3,-0.1 1,-0.3 43,-0.1 -0.361 92.0 -0.6 -50.7 128.1 -52.9 -27.7 -45.9 82 73 A D T 3 S+ 0 0 121 41,-0.3 -1,-0.3 1,-0.2 -67,-0.2 0.502 95.5 146.9 70.0 7.8 -51.2 -27.6 -49.4 83 74 A V < - 0 0 2 -3,-2.3 -1,-0.2 1,-0.1 -67,-0.2 -0.534 30.0-173.1 -73.9 139.5 -47.9 -28.9 -47.9 84 75 A D + 0 0 22 -69,-2.7 42,-2.0 1,-0.3 43,-1.5 0.799 69.5 23.9 -95.2 -38.1 -45.8 -31.1 -50.2 85 76 A Y E -bd 16 127A 7 -70,-2.2 -68,-2.8 41,-0.2 2,-0.5 -0.989 62.5-161.3-133.5 139.1 -42.9 -32.2 -47.8 86 77 A V E -bd 17 128A 0 41,-2.7 43,-2.5 -2,-0.3 2,-0.6 -0.987 5.4-164.8-124.9 123.9 -42.8 -32.4 -44.0 87 78 A F E -bd 18 129A 3 -70,-2.9 -68,-2.0 -2,-0.5 2,-1.1 -0.971 18.3-156.8 -98.4 112.9 -39.6 -32.5 -42.0 88 79 A H E +bd 19 130A 2 41,-2.9 43,-1.9 -2,-0.6 -68,-0.1 -0.727 38.1 142.0-103.1 94.5 -40.8 -33.7 -38.6 89 80 A A + 0 0 21 -70,-1.3 -69,-0.2 -2,-1.1 2,-0.2 0.368 27.4 122.6-108.8 -0.9 -38.3 -32.6 -36.0 90 81 A A + 0 0 15 22,-0.1 2,-0.3 18,-0.0 41,-0.1 -0.474 39.1 132.7 -71.0 135.2 -40.7 -31.6 -33.1 91 82 A A - 0 0 34 -2,-0.2 2,-0.6 21,-0.0 14,-0.1 -0.971 63.4-115.8-167.7 154.2 -39.8 -33.7 -30.1 92 83 A L + 0 0 55 -2,-0.3 17,-0.1 13,-0.2 -2,-0.0 -0.934 46.5 166.3 -94.9 121.7 -39.1 -33.7 -26.4 93 84 A K + 0 0 133 -2,-0.6 2,-0.3 54,-0.0 -1,-0.1 0.433 28.3 105.9-127.0 2.0 -35.5 -34.8 -26.5 94 85 A Q > - 0 0 110 1,-0.1 4,-1.5 49,-0.0 5,-0.2 -0.630 59.9-141.8 -79.8 144.9 -33.7 -34.3 -23.3 95 86 A V H > S+ 0 0 23 -2,-0.3 4,-2.6 2,-0.2 48,-0.2 0.955 94.6 44.5 -68.4 -53.8 -33.1 -37.5 -21.4 96 87 A P H > S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.927 114.0 49.5 -67.0 -38.8 -33.7 -36.4 -17.8 97 88 A S H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.929 113.9 45.6 -70.3 -34.6 -36.9 -34.4 -18.6 98 89 A C H < S+ 0 0 0 -4,-1.5 7,-0.3 1,-0.2 -1,-0.2 0.882 111.7 55.8 -70.4 -32.6 -38.4 -37.5 -20.6 99 90 A E H < S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 115.0 34.9 -64.1 -37.0 -37.3 -39.7 -17.7 100 91 A F H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.696 130.0 33.9 -90.3 -26.3 -39.2 -37.8 -15.2 101 92 A F X + 0 0 80 -4,-1.7 4,-1.7 -5,-0.2 3,-0.3 -0.614 67.5 154.5-125.2 66.4 -42.1 -36.9 -17.4 102 93 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 71.0 60.2 -74.8 -22.1 -42.5 -39.9 -19.7 103 94 A V H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.925 105.9 50.0 -67.1 -36.3 -46.3 -39.3 -20.3 104 95 A E H > S+ 0 0 71 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.876 108.1 53.0 -66.2 -39.5 -45.2 -35.9 -21.8 105 96 A A H X>S+ 0 0 0 -4,-1.7 4,-2.9 -7,-0.3 5,-0.7 0.919 111.3 46.2 -61.8 -39.2 -42.6 -37.8 -23.9 106 97 A V H X>S+ 0 0 4 -4,-2.5 5,-2.6 3,-0.2 4,-1.6 0.949 111.5 52.4 -66.8 -46.2 -45.4 -40.1 -25.3 107 98 A K H <>S+ 0 0 88 -4,-2.9 5,-1.5 3,-0.2 -2,-0.2 0.932 122.7 27.8 -57.5 -43.9 -47.7 -37.1 -25.9 108 99 A T H <5S+ 0 0 16 -4,-2.4 5,-0.3 3,-0.2 -2,-0.2 0.938 128.9 35.8 -86.7 -46.6 -45.2 -35.2 -28.0 109 100 A N H <5S+ 0 0 1 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.823 132.5 20.5 -85.7 -29.5 -42.9 -37.9 -29.6 110 101 A I T X S+ 0 0 0 -5,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.927 109.5 51.2 -68.4 -42.8 -45.9 -37.9 -34.6 114 105 A E H X S+ 0 0 32 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.882 108.6 52.7 -60.4 -40.6 -49.1 -39.9 -35.3 115 106 A N H X S+ 0 0 25 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.945 110.6 47.8 -54.9 -45.5 -51.0 -36.5 -35.5 116 107 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.923 114.2 46.4 -64.1 -48.0 -48.5 -35.2 -38.1 117 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.900 112.3 48.8 -61.6 -45.3 -48.7 -38.4 -40.2 118 109 A Q H X S+ 0 0 91 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.919 115.6 44.6 -65.2 -40.0 -52.5 -38.7 -40.2 119 110 A S H X S+ 0 0 12 -4,-2.2 4,-2.9 -5,-0.3 6,-0.2 0.952 110.9 52.8 -71.3 -39.5 -52.8 -35.0 -41.2 120 111 A A H <>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 4,-0.2 0.934 112.2 46.6 -58.4 -46.1 -50.0 -35.4 -43.8 121 112 A I H ><5S+ 0 0 26 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.958 112.6 50.3 -57.8 -55.6 -52.0 -38.4 -45.3 122 113 A H H 3<5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.895 113.3 45.6 -45.2 -44.3 -55.3 -36.4 -45.2 123 114 A Q T 3<5S- 0 0 42 -4,-2.9 -41,-0.3 -5,-0.1 -1,-0.2 0.319 112.9-117.4 -91.2 8.4 -53.7 -33.4 -47.0 124 115 A N T < 5 - 0 0 104 -3,-1.6 -3,-0.2 -4,-0.2 -4,-0.1 0.802 45.5-179.6 60.7 32.8 -52.0 -35.5 -49.6 125 116 A V < - 0 0 0 -5,-2.4 -41,-0.2 -6,-0.2 -40,-0.2 -0.308 24.8-141.2 -57.5 143.4 -48.5 -34.5 -48.6 126 117 A K S S+ 0 0 97 -42,-2.0 41,-3.3 1,-0.3 2,-0.4 0.906 74.7 9.4 -78.5 -42.5 -45.8 -36.2 -50.8 127 118 A K E -de 85 167A 47 -43,-1.5 -41,-2.7 39,-0.2 2,-0.4 -0.994 50.4-170.1-143.6 139.9 -43.2 -37.0 -48.1 128 119 A V E -de 86 168A 0 39,-3.1 41,-2.6 -2,-0.4 2,-0.5 -0.995 9.8-166.1-121.4 127.6 -42.8 -37.0 -44.4 129 120 A I E -de 87 169A 0 -43,-2.5 -41,-2.9 -2,-0.4 2,-0.4 -0.983 9.7-157.2-111.6 118.5 -39.2 -37.5 -43.0 130 121 A C E -de 88 170A 0 39,-2.4 41,-2.1 -2,-0.5 2,-0.4 -0.797 11.9-133.9 -97.7 138.1 -39.2 -38.2 -39.1 131 122 A L E + e 0 171A 12 -43,-1.9 2,-0.3 -2,-0.4 41,-0.2 -0.718 31.6 168.2 -96.2 138.8 -36.1 -37.5 -37.2 132 123 A S E - e 0 172A 6 39,-2.0 41,-1.6 -2,-0.4 2,-0.3 -0.843 21.7-128.9-139.9-177.0 -34.9 -40.1 -34.7 133 124 A T E > - e 0 173A 16 39,-0.3 3,-2.2 -2,-0.3 41,-0.2 -0.899 26.2-114.2-137.2 154.5 -31.8 -40.9 -32.7 134 125 A D G > S+ 0 0 4 39,-1.0 3,-1.4 -2,-0.3 137,-0.5 0.708 111.4 74.6 -65.5 -12.2 -29.3 -43.7 -32.0 135 126 A K G 3 S+ 0 0 27 38,-0.3 5,-0.4 1,-0.2 6,-0.3 0.680 85.5 67.1 -69.3 -11.6 -30.7 -43.7 -28.4 136 127 A A G < S+ 0 0 3 -3,-2.2 2,-0.5 3,-0.1 -1,-0.2 0.537 81.3 86.9 -77.6 -14.4 -33.8 -45.4 -30.0 137 128 A A S < S- 0 0 2 -3,-1.4 134,-0.4 134,-0.4 3,-0.1 -0.850 117.3 -13.3 -95.4 129.1 -31.9 -48.6 -30.9 138 129 A Y S S- 0 0 40 -2,-0.5 -1,-0.3 349,-0.5 350,-0.1 0.968 102.6-153.6 43.2 53.6 -31.9 -51.1 -27.9 139 130 A P + 0 0 2 0, 0.0 347,-0.5 0, 0.0 -3,-0.1 -0.262 33.4 177.3 -66.7 145.6 -33.2 -48.1 -25.9 140 131 A I + 0 0 24 -5,-0.4 2,-0.2 125,-0.1 125,-0.1 0.632 60.6 61.1-112.2 -20.9 -32.6 -47.6 -22.2 141 132 A N S > S- 0 0 5 -6,-0.3 4,-3.0 124,-0.1 5,-0.2 -0.713 85.4-112.8-117.2 162.2 -34.1 -44.2 -21.3 142 133 A A H > S+ 0 0 0 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.824 117.2 54.3 -62.3 -37.8 -37.7 -42.9 -21.7 143 134 A M H > S+ 0 0 7 -48,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.960 112.1 40.7 -59.8 -55.0 -36.5 -40.5 -24.4 144 135 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.849 115.9 53.2 -64.5 -36.7 -34.9 -43.2 -26.6 145 136 A I H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.942 107.6 48.9 -63.0 -48.6 -37.8 -45.6 -25.9 146 137 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.897 113.5 48.2 -56.3 -40.9 -40.4 -43.0 -27.0 147 138 A K H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.863 109.3 53.1 -71.0 -35.0 -38.3 -42.4 -30.2 148 139 A A H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.0 46.5 -60.5 -42.3 -38.1 -46.2 -30.8 149 140 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.920 108.2 55.3 -69.4 -41.2 -41.9 -46.4 -30.5 150 141 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.898 106.5 52.7 -53.3 -43.9 -42.3 -43.3 -32.9 151 142 A E H X S+ 0 0 11 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.935 108.6 49.0 -59.9 -44.4 -40.1 -45.3 -35.4 152 143 A K H X S+ 0 0 39 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 111.8 51.1 -60.2 -38.9 -42.5 -48.3 -35.1 153 144 A V H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.923 113.0 42.6 -67.2 -43.8 -45.5 -45.9 -35.6 154 145 A F H >X S+ 0 0 1 -4,-2.6 4,-0.6 2,-0.2 3,-0.6 0.953 115.9 49.6 -74.3 -33.9 -44.1 -44.3 -38.8 155 146 A V H >X S+ 0 0 15 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.912 101.1 63.5 -65.6 -39.9 -43.0 -47.7 -40.3 156 147 A A H >< S+ 0 0 2 -4,-2.2 3,-1.4 -5,-0.3 4,-0.5 0.844 92.4 65.5 -59.5 -34.1 -46.4 -49.2 -39.6 157 148 A K H XX S+ 0 0 9 -4,-1.1 4,-1.9 -3,-0.6 3,-1.8 0.873 92.8 61.4 -50.4 -37.3 -48.0 -46.7 -42.1 158 149 A S H << S+ 0 0 1 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.624 98.6 54.0 -72.0 -13.7 -46.0 -48.3 -44.9 159 150 A R T << S+ 0 0 14 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.675 125.9 24.7 -90.3 -9.4 -47.8 -51.5 -44.3 160 151 A N T <4 S+ 0 0 64 -3,-1.8 2,-0.2 -4,-0.5 -2,-0.2 0.726 112.3 57.0-108.0 -62.0 -51.3 -49.4 -44.6 161 152 A I S < S- 0 0 22 -4,-1.9 2,-0.3 1,-0.1 -1,-0.2 -0.531 82.5-112.0 -86.8 144.4 -50.9 -46.2 -46.8 162 153 A R >> - 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0 0 3 -3,-2.2 -1,-0.2 1,-0.1 -67,-0.2 -0.582 32.6-172.6 -80.4 140.0 -60.5 -51.2 -4.4 432 75 B D + 0 0 21 -69,-2.4 42,-1.8 1,-0.3 43,-1.4 0.738 69.7 21.4 -91.2 -35.6 -57.4 -51.8 -2.2 433 76 B Y E -qs 364 475G 9 -70,-1.9 -68,-3.3 41,-0.2 2,-0.4 -0.998 60.3-162.5-140.9 146.6 -55.1 -53.6 -4.6 434 77 B V E -qs 365 476G 0 41,-2.4 43,-2.4 -2,-0.3 2,-0.6 -0.989 9.3-163.6-131.2 131.7 -54.8 -53.9 -8.4 435 78 B F E -qs 366 477G 3 -70,-2.3 -68,-2.0 -2,-0.4 2,-1.1 -0.977 21.5-155.5-106.5 109.8 -52.9 -56.4 -10.4 436 79 B H E +qs 367 478G 0 41,-2.7 43,-1.5 -2,-0.6 -68,-0.1 -0.748 37.2 144.9 -93.5 97.4 -52.7 -54.7 -13.7 437 80 B A + 0 0 15 -70,-1.5 -69,-0.2 -2,-1.1 -1,-0.2 0.456 26.4 122.2-113.5 0.1 -52.3 -57.4 -16.4 438 81 B A + 0 0 14 22,-0.1 2,-0.3 18,-0.0 41,-0.1 -0.442 39.3 132.3 -65.3 135.6 -54.3 -55.9 -19.3 439 82 B A - 0 0 17 -2,-0.1 2,-0.6 21,-0.0 14,-0.1 -0.970 64.2-113.2-171.0 154.1 -52.1 -55.6 -22.3 440 83 B L + 0 0 53 -2,-0.3 17,-0.1 13,-0.2 -2,-0.0 -0.930 46.5 167.5 -85.6 118.2 -51.6 -56.2 -26.0 441 84 B K + 0 0 123 -2,-0.6 2,-0.4 54,-0.0 -1,-0.1 0.502 29.2 106.1-123.3 -1.2 -48.9 -58.8 -25.8 442 85 B Q > - 0 0 127 1,-0.1 4,-1.6 49,-0.1 5,-0.2 -0.680 60.6-141.2 -78.7 133.5 -48.4 -60.5 -29.2 443 86 B V H > S+ 0 0 24 -2,-0.4 4,-2.2 2,-0.2 48,-0.2 0.953 97.3 41.2 -56.9 -55.6 -45.2 -59.4 -31.0 444 87 B P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.934 112.9 53.8 -66.4 -40.6 -46.6 -59.4 -34.6 445 88 B S H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.888 114.2 42.4 -59.4 -36.2 -50.0 -57.7 -33.6 446 89 B C H < S+ 0 0 0 -4,-1.6 7,-0.3 2,-0.2 -1,-0.2 0.840 111.4 55.8 -76.2 -37.5 -48.1 -54.9 -31.8 447 90 B E H < S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 115.7 36.3 -61.2 -43.5 -45.6 -54.6 -34.6 448 91 B F H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.816 130.0 33.3 -81.2 -25.0 -48.3 -54.0 -37.3 449 92 B F X + 0 0 79 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 -0.592 67.6 154.5-127.0 64.9 -50.6 -52.0 -35.0 450 93 B P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.793 74.0 59.5 -70.4 -30.9 -48.2 -50.0 -32.6 451 94 B V H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 106.0 49.8 -59.1 -40.0 -50.7 -47.2 -32.1 452 95 B E H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.925 108.9 51.8 -61.1 -43.9 -52.9 -50.0 -30.7 453 96 B A H X>S+ 0 0 0 -4,-1.8 4,-2.8 -7,-0.3 5,-0.6 0.897 110.6 48.6 -57.0 -40.6 -50.0 -51.2 -28.5 454 97 B V H X>S+ 0 0 5 -4,-2.2 5,-2.7 3,-0.2 4,-1.4 0.924 109.9 50.9 -70.7 -40.7 -49.5 -47.6 -27.1 455 98 B K H <>S+ 0 0 89 -4,-2.6 5,-1.1 3,-0.2 -1,-0.2 0.912 122.1 31.4 -67.4 -37.4 -53.3 -47.1 -26.3 456 99 B T H <5S+ 0 0 17 -4,-2.0 5,-0.3 -5,-0.2 -2,-0.2 0.950 129.0 33.3 -82.9 -49.4 -53.6 -50.4 -24.4 457 100 B N H <5S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.808 132.6 21.5 -84.2 -31.3 -50.1 -50.8 -22.8 458 101 B I T X S+ 0 0 0 -5,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.931 109.6 51.0 -65.7 -48.9 -51.7 -48.2 -17.8 462 105 B E H X S+ 0 0 29 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.904 109.2 52.7 -57.9 -39.8 -51.6 -44.4 -17.1 463 106 B N H X S+ 0 0 21 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.921 111.4 46.3 -56.5 -47.0 -55.6 -44.5 -16.9 464 107 B V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.934 113.7 47.9 -67.2 -41.5 -55.4 -47.3 -14.3 465 108 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.924 113.1 47.8 -63.9 -46.0 -52.6 -45.5 -12.2 466 109 B Q H X S+ 0 0 92 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 115.1 45.4 -63.6 -40.7 -54.5 -42.2 -12.2 467 110 B S H X S+ 0 0 13 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.890 111.2 50.7 -70.3 -36.0 -57.7 -43.8 -11.3 468 111 B A H <>S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.2 4,-0.3 0.934 112.7 49.5 -66.3 -38.4 -56.1 -46.0 -8.5 469 112 B I H ><5S+ 0 0 24 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.969 111.7 48.6 -66.5 -40.8 -54.4 -42.7 -7.1 470 113 B H H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.2 46.5 -66.7 -33.2 -57.8 -41.0 -7.2 471 114 B Q T 3<5S- 0 0 40 -4,-1.9 -41,-0.3 -5,-0.1 -1,-0.3 0.306 113.1-116.5 -93.3 8.1 -59.6 -43.9 -5.4 472 115 B N T < 5 - 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