==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-98 8TLI . COMPND 2 MOLECULE: PROTEIN (THERMOLYSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,S.H.DONE,C.R.GROOM,R.E.HUBBARD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.8 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 PARALLEL BRIDGES PER LADDER . 1 5 2 0 0 0 0 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 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 82 0, 0.0 2,-0.8 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 136.0 8.8 52.1 0.4 2 2 A T + 0 0 136 21,-0.1 2,-0.2 23,-0.0 21,-0.0 -0.863 360.0 92.3 -98.6 108.1 6.4 55.1 0.9 3 3 A G S S- 0 0 42 -2,-0.8 2,-0.5 22,-0.1 22,-0.2 -0.801 73.6 -48.4-164.4-156.9 6.8 56.4 4.4 4 4 A T E -A 24 0A 94 20,-2.1 20,-3.3 -2,-0.2 2,-0.2 -0.826 48.6-121.9-102.9 130.4 8.5 58.9 6.8 5 5 A S E +A 23 0A 69 -2,-0.5 18,-0.3 18,-0.2 2,-0.2 -0.459 43.9 158.6 -70.9 140.5 12.3 59.4 6.8 6 6 A T E -A 22 0A 49 16,-2.8 16,-2.4 -2,-0.2 2,-0.5 -0.823 37.4-110.2-149.6-175.6 13.9 58.7 10.1 7 7 A V E -A 21 0A 78 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.975 29.4-178.0-125.0 130.2 17.1 57.9 11.9 8 8 A G E -A 20 0A 3 12,-3.4 12,-2.0 -2,-0.5 2,-0.3 -0.507 14.4-137.4-113.3 180.0 17.9 54.6 13.6 9 9 A V E +Ab 19 61A 35 51,-1.4 53,-3.3 10,-0.2 2,-0.3 -0.995 31.1 137.1-141.5 150.6 20.9 53.3 15.6 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.4 -0.885 44.6 -88.0-169.0-171.4 22.7 50.0 15.7 11 11 A R E -A 17 0A 102 51,-2.2 60,-0.3 -2,-0.3 6,-0.2 -0.961 31.7-138.4-121.1 140.2 26.0 48.3 15.8 12 12 A G > - 0 0 4 4,-2.6 3,-2.2 -2,-0.4 56,-0.2 -0.130 41.5 -81.9 -86.8-176.3 28.3 47.3 12.9 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.742 129.7 48.3 -56.1 -40.3 30.3 44.2 12.4 14 14 A L T 3 S- 0 0 80 54,-0.1 -1,-0.3 2,-0.1 178,-0.0 0.230 122.1-103.3 -87.6 10.9 33.2 45.4 14.6 15 15 A G S < S+ 0 0 45 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.556 73.0 142.7 87.8 -0.8 30.8 46.4 17.4 16 16 A D - 0 0 54 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.618 49.0-122.8 -81.0 147.7 30.8 50.2 16.8 17 17 A Q E +A 11 0A 128 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.666 38.5 164.6 -89.8 133.7 27.6 52.1 17.3 18 18 A K E -A 10 0A 12 -8,-2.9 -8,-2.3 -2,-0.3 2,-0.3 -0.987 34.9-118.4-151.7 157.1 26.2 54.2 14.5 19 19 A N E -A 9 0A 100 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.704 29.8-167.0 -88.4 149.9 23.2 56.0 13.3 20 20 A I E -A 8 0A 5 -12,-2.0 -12,-3.4 -2,-0.3 2,-0.4 -0.996 25.3-115.0-136.9 148.4 21.6 55.0 10.1 21 21 A N E +A 7 0A 43 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.672 45.5 169.1 -83.4 123.2 18.9 56.6 7.8 22 22 A T E -A 6 0A 2 -16,-2.4 -16,-2.8 -2,-0.4 2,-0.4 -0.680 28.3-130.0-130.1 173.5 15.8 54.5 7.8 23 23 A T E -AC 5 29A 0 6,-1.7 6,-2.9 -18,-0.3 2,-0.4 -0.995 17.1-139.8-134.0 131.9 12.2 54.9 6.6 24 24 A Y E +AC 4 28A 95 -20,-3.3 -20,-2.1 -2,-0.4 4,-0.2 -0.855 40.0 139.4-100.8 135.8 9.1 54.2 8.6 25 25 A S S S- 0 0 40 2,-2.7 2,-3.3 -2,-0.4 -22,-0.1 -0.655 92.1 -51.5-167.6 79.8 6.1 52.6 7.3 26 26 A T S S+ 0 0 116 -2,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.139 138.6 37.1 75.0 -56.1 4.6 50.1 9.8 27 27 A Y S S- 0 0 122 -2,-3.3 -2,-2.7 -4,-0.1 2,-0.6 -0.683 97.6-107.0-109.6 168.1 8.1 48.6 10.1 28 28 A Y E -CD 24 57A 58 29,-3.7 29,-2.3 -2,-0.2 2,-0.4 -0.934 40.8-159.4-102.0 116.8 11.4 50.4 10.0 29 29 A Y E -CD 23 56A 42 -6,-2.9 2,-2.2 -2,-0.6 -6,-1.7 -0.825 27.8-118.1 -94.3 144.1 13.1 49.8 6.7 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.1 -2,-0.4 2,-0.4 -0.465 70.2 130.7 -77.6 83.3 16.8 50.1 5.7 31 31 A Q E -E 40 0B 8 -2,-2.2 2,-0.8 9,-0.2 9,-0.2 -0.924 42.8-161.8-143.7 113.7 15.9 52.8 3.1 32 32 A D E > +E 39 0B 3 7,-2.8 7,-1.4 -2,-0.4 3,-0.6 -0.838 11.3 177.5-107.3 110.9 17.8 56.0 3.0 33 33 A N T 3 + 0 0 63 -2,-0.8 -1,-0.1 -11,-0.3 -28,-0.1 0.365 67.6 80.3 -94.8 1.0 15.9 58.7 1.2 34 34 A T T 3 S+ 0 0 87 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.565 85.3 65.2 -87.3 0.7 18.5 61.4 1.8 35 35 A R S X S- 0 0 42 -3,-0.6 3,-3.1 1,-0.1 -1,-0.1 -0.936 110.6 -68.6-134.3 114.3 20.9 60.2 -1.0 36 36 A G T 3 S- 0 0 29 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.082 111.3 -17.5 48.1-128.2 19.9 60.3 -4.6 37 37 A D T 3 S- 0 0 106 60,-1.9 -1,-0.3 1,-0.2 62,-0.2 0.373 120.4 -76.8 -89.7 14.4 17.1 57.9 -5.5 38 38 A G < - 0 0 2 -3,-3.1 62,-2.1 60,-0.1 2,-0.4 -0.200 27.7-111.1 116.1 151.8 17.8 56.0 -2.3 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.8 60,-0.2 2,-0.4 -0.985 37.1-174.2-123.1 120.8 20.0 53.5 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.4 62,-1.7 -2,-0.4 2,-0.4 -0.998 9.3-162.4-124.0 122.6 18.2 50.2 0.1 41 41 A T E - f 0 102B 0 -11,-2.1 14,-3.3 -2,-0.4 2,-0.3 -0.943 10.3-166.3-111.6 130.4 19.6 47.2 2.0 42 42 A Y E -Gf 54 103B 30 60,-3.5 62,-1.9 -2,-0.4 2,-0.6 -0.860 19.1-129.6-117.5 159.4 18.1 43.7 1.6 43 43 A D E -Gf 53 104B 18 10,-2.8 10,-1.8 -2,-0.3 62,-0.2 -0.912 12.0-170.6-106.3 117.8 18.4 40.5 3.6 44 44 A A > - 0 0 2 60,-2.8 3,-2.7 -2,-0.6 63,-0.3 0.488 30.7-141.1 -82.7 -9.4 19.3 37.4 1.5 45 45 A K T 3 - 0 0 112 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.851 64.8 -54.0 61.0 40.4 18.6 35.3 4.6 46 46 A Y T 3 S+ 0 0 108 59,-2.5 -1,-0.3 1,-0.2 2,-0.2 0.573 115.5 110.1 68.2 17.7 21.5 32.9 3.8 47 47 A R S < S- 0 0 152 -3,-2.7 60,-0.8 58,-0.4 -1,-0.2 -0.735 70.9-129.3-108.4-171.4 20.3 32.2 0.3 48 48 A T S S+ 0 0 83 -2,-0.2 2,-0.4 58,-0.2 58,-0.1 0.446 73.7 110.9-112.8 -2.5 21.5 33.0 -3.2 49 49 A T S S- 0 0 84 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.642 71.6-112.2 -77.4 125.4 18.2 34.3 -4.4 50 50 A L S S+ 0 0 58 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.924 79.9 8.1-111.0 144.3 18.6 38.0 -4.9 51 51 A P S S- 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.962 78.0-165.5 -89.2 -10.7 17.8 40.5 -3.9 52 52 A G - 0 0 33 -8,-0.1 2,-0.3 51,-0.1 -8,-0.2 -0.695 49.8 -34.8 95.3-152.8 16.0 39.0 -0.9 53 53 A S E -G 43 0B 44 -10,-1.8 -10,-2.8 -2,-0.3 -8,-0.1 -0.791 65.3 -99.9-110.4 139.2 13.6 41.2 1.2 54 54 A L E -G 42 0B 35 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.3 -0.382 57.9 -97.9 -47.4 129.1 14.0 44.9 1.9 55 55 A W - 0 0 11 -14,-3.3 -25,-2.0 -25,-0.3 2,-0.4 -0.398 48.9-171.6 -63.5 127.5 15.4 44.9 5.4 56 56 A A E -D 29 0A 44 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.879 5.8-175.9-123.2 130.7 12.5 45.5 7.9 57 57 A D E -D 28 0A 20 -29,-2.3 -29,-3.7 -2,-0.4 3,-0.2 -1.000 21.9-142.0-131.7 141.8 12.9 46.1 11.6 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.2 -29,-0.1 0.845 93.8 18.6 -75.8 -34.9 10.3 46.5 14.3 59 59 A D S S- 0 0 88 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.182 96.8-114.1-121.4 8.9 11.7 49.1 16.6 60 60 A N S S+ 0 0 18 -3,-0.2 -51,-1.4 1,-0.1 2,-0.4 0.745 81.1 115.2 69.8 25.1 14.4 50.9 14.6 61 61 A Q E -b 9 0A 97 -53,-0.2 2,-0.7 -51,-0.0 -51,-0.3 -0.987 47.2-166.1-121.4 124.6 17.3 49.7 16.8 62 62 A F E +b 10 0A 0 -53,-3.3 -51,-2.2 -2,-0.4 9,-0.1 -0.624 41.3 125.8-119.1 72.3 19.8 47.4 15.1 63 63 A F + 0 0 59 -2,-0.7 -1,-0.2 -53,-0.2 2,-0.1 0.469 36.9 108.7-109.6 3.3 21.8 45.8 17.8 64 64 A A S >> S- 0 0 55 -3,-0.2 4,-1.1 1,-0.1 3,-0.9 -0.394 76.3-121.8 -80.3 155.3 21.4 42.1 17.1 65 65 A S G >4 S+ 0 0 110 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.875 114.8 58.0 -61.8 -34.6 24.4 40.2 15.7 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.749 105.1 52.1 -64.6 -31.8 22.2 39.3 12.7 67 67 A D G X> S+ 0 0 19 -3,-0.9 4,-2.2 1,-0.2 3,-1.1 0.709 85.7 87.2 -72.4 -26.3 21.7 43.0 12.0 68 68 A A H S+ 0 0 5 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.777 112.6 51.5 -64.9 -32.9 26.3 43.3 8.4 70 70 A A H <> S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.3 5,-0.3 0.877 106.6 52.8 -67.3 -51.8 23.2 45.2 7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 -60,-0.3 5,-0.2 0.972 114.3 43.2 -46.4 -52.4 23.9 48.3 9.3 72 72 A D H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.862 110.8 51.9 -68.7 -35.5 27.4 48.5 7.8 73 73 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.895 114.7 45.2 -67.7 -38.2 26.4 47.8 4.2 74 74 A H H X S+ 0 0 6 -4,-2.4 4,-1.6 2,-0.1 -2,-0.2 0.947 117.1 43.2 -69.3 -48.2 23.8 50.5 4.5 75 75 A Y H X S+ 0 0 91 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.943 113.8 47.5 -62.0 -48.6 26.1 53.1 6.2 76 76 A Y H X S+ 0 0 4 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.920 109.1 56.0 -73.4 -20.6 29.3 52.6 4.2 77 77 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.4 -1,-0.2 0.918 108.5 48.4 -70.6 -43.0 27.3 52.8 1.0 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 112.0 48.9 -60.2 -41.7 26.1 56.1 2.3 79 79 A V H X S+ 0 0 20 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.935 112.0 47.0 -67.7 -37.3 29.7 57.1 3.0 80 80 A T H X S+ 0 0 3 -4,-3.3 4,-2.3 1,-0.2 5,-0.3 0.920 110.7 53.7 -70.7 -39.0 30.9 56.1 -0.5 81 81 A Y H X S+ 0 0 17 -4,-2.3 4,-2.2 -5,-0.3 11,-0.3 0.951 110.4 47.1 -59.0 -44.4 28.0 57.9 -2.1 82 82 A D H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.829 107.6 56.2 -71.2 -37.6 29.0 61.1 -0.2 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.7 0.959 111.9 42.0 -54.4 -53.4 32.7 60.7 -1.1 84 84 A Y H X5S+ 0 0 8 -4,-2.3 6,-2.4 3,-0.2 4,-1.1 0.901 118.0 47.3 -66.0 -36.8 31.9 60.7 -4.8 85 85 A K H X5S+ 0 0 81 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.959 120.6 34.5 -65.3 -61.7 29.3 63.5 -4.5 86 86 A N H <5S+ 0 0 83 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.735 127.9 34.9 -69.0 -35.3 31.4 65.8 -2.4 87 87 A V H <5S+ 0 0 51 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.857 136.0 17.0 -92.3 -32.6 34.9 65.1 -3.8 88 88 A H H < S- 0 0 7 -2,-0.9 3,-1.1 -11,-0.3 5,-0.1 0.150 91.2 -62.3 71.0 177.2 25.7 57.9 -7.6 93 93 A Y T 3 S+ 0 0 24 5,-0.3 -1,-0.2 1,-0.3 58,-0.1 0.821 136.5 47.9 -71.6 -30.0 27.4 55.5 -9.9 94 94 A D T 3 S- 0 0 43 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.545 109.5-119.0 -86.6 3.8 25.6 56.4 -13.0 95 95 A G S < S+ 0 0 30 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.616 101.7 79.9 65.3 15.1 26.1 60.1 -12.4 96 96 A N S S- 0 0 125 -5,-0.4 -4,-0.2 -6,-0.1 -3,-0.1 -0.112 113.4 -95.3-135.0 19.5 22.2 60.5 -12.3 97 97 A N - 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0 0 24 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.820 61.1-103.8 -97.5 153.2 51.5 40.3 -6.1 214 214 A P - 0 0 13 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.248 25.2-173.3 -63.8 145.5 53.9 41.9 -8.6 215 215 A D S S+ 0 0 12 1,-0.1 2,-0.3 -7,-0.1 3,-0.1 0.102 72.0 47.7-127.3 14.9 55.2 45.4 -8.0 216 216 A H S > S- 0 0 38 1,-0.1 3,-1.8 98,-0.1 98,-0.2 -0.980 81.5-122.5-147.8 149.3 56.9 45.8 -11.4 217 217 A Y G > S+ 0 0 61 96,-3.3 3,-2.2 -2,-0.3 97,-0.1 0.931 111.3 62.6 -65.9 -29.0 55.7 45.1 -15.0 218 218 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 95,-0.2 96,-0.1 0.789 103.1 52.3 -67.9 -13.1 58.6 42.8 -15.6 219 219 A K G < S+ 0 0 117 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.129 84.2 138.8 -98.6 5.9 57.1 40.7 -12.8 220 220 A R < - 0 0 97 -3,-2.2 2,-0.4 1,-0.1 -3,-0.1 -0.377 59.0-114.2 -59.6 149.3 53.6 40.6 -14.3 221 221 A Y + 0 0 72 8,-0.2 12,-0.1 1,-0.1 -1,-0.1 -0.704 32.1 178.5 -88.2 127.6 51.6 37.4 -14.3 222 222 A T + 0 0 115 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.225 44.4 103.8-114.8 7.4 51.1 36.2 -17.9 223 223 A G S S- 0 0 29 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.117 76.6-112.6 -71.4-162.8 49.1 33.1 -17.2 224 224 A T S S+ 0 0 127 4,-0.1 4,-0.4 3,-0.1 3,-0.3 0.435 75.3 106.0-122.7 -7.7 45.3 32.5 -17.7 225 225 A Q S >> S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 3,-1.4 -0.326 76.8 27.4 -70.9 167.0 44.0 32.1 -14.2 226 226 A D H >> S- 0 0 56 1,-0.3 4,-2.2 2,-0.2 3,-1.2 0.968 138.3 -61.4 53.1 39.7 42.0 34.8 -12.4 227 227 A N H 34 S- 0 0 90 1,-0.3 -68,-2.3 -3,-0.3 -1,-0.3 0.777 113.3 -35.1 51.0 36.7 40.9 36.0 -15.8 228 228 A G H <4 S- 0 0 6 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.675 114.9 -57.6 90.4 23.4 44.4 36.8 -16.8 229 229 A G H XX S+ 0 0 0 -4,-1.8 4,-3.1 -3,-1.2 3,-0.8 0.812 77.8 160.4 80.8 34.9 45.6 37.8 -13.3 230 230 A V T 3< S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.3 -64,-0.1 0.904 81.1 37.4 -61.1 -31.7 43.1 40.7 -12.7 231 231 A H T 34 S+ 0 0 68 -5,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.571 122.2 46.6 -96.8 -7.2 43.6 40.6 -8.9 232 232 A I T X4 S+ 0 0 46 -3,-0.8 3,-1.7 -6,-0.2 4,-0.3 0.878 111.0 44.1 -98.6 -53.7 47.4 39.9 -9.3 233 233 A N T >X S+ 0 0 9 -4,-3.1 3,-0.9 1,-0.3 4,-0.7 0.644 94.5 82.6 -73.8 -10.0 48.6 42.4 -11.9 234 234 A S H >> S+ 0 0 0 -4,-0.5 4,-3.1 -5,-0.4 3,-0.6 0.836 76.9 72.6 -61.7 -22.7 46.6 45.1 -10.2 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.880 88.3 59.9 -62.8 -25.6 49.5 45.4 -7.7 236 236 A I H <> S+ 0 0 0 -3,-0.9 4,-1.2 -4,-0.3 -1,-0.2 0.938 112.5 37.7 -62.2 -46.7 51.6 47.1 -10.4 237 237 A I H S+ 0 0 53 -4,-2.9 4,-3.0 -37,-0.3 5,-0.9 0.947 108.8 49.5 -57.2 -45.0 50.8 54.7 -3.9 243 243 A L H X5S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.945 108.0 54.0 -61.3 -44.8 54.0 56.2 -5.2 244 244 A I H <5S+ 0 0 0 -4,-2.5 14,-3.2 1,-0.2 15,-0.3 0.872 119.7 33.4 -52.2 -44.4 52.1 59.2 -6.8 245 245 A S H <5S+ 0 0 3 -4,-1.9 14,-2.5 12,-0.3 -2,-0.2 0.939 135.0 20.1 -77.7 -56.0 50.5 59.9 -3.5 246 246 A Q H <5S- 0 0 93 -4,-3.0 11,-0.5 11,-0.2 -3,-0.2 0.713 95.1-144.4 -94.6 -24.8 53.0 59.1 -0.7 247 247 A G << + 0 0 9 -4,-1.7 2,-0.3 -5,-0.9 9,-0.2 -0.109 31.0 153.1 82.4 174.4 56.2 59.2 -2.9 248 248 A G E -L 255 0E 34 7,-2.2 7,-3.3 -4,-0.1 2,-0.4 -0.847 46.7 -83.4 152.3 179.6 59.1 56.8 -2.2 249 249 A T E +L 254 0E 94 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.969 42.8 175.1-119.2 129.9 62.1 55.0 -3.9 250 250 A H E > S-L 253 0E 18 3,-2.4 3,-2.5 -2,-0.4 -2,-0.0 -0.995 71.7 -12.0-149.7 119.1 61.3 51.8 -5.8 251 251 A Y T 3 S- 0 0 116 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.921 131.0 -55.0 47.7 38.0 63.8 49.9 -7.8 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.488 111.8 122.6 82.1 3.3 66.1 53.0 -7.5 253 253 A V E < -L 250 0E 38 -3,-2.5 -3,-2.4 59,-0.1 2,-0.4 -0.864 51.1-150.8 -99.9 123.7 63.4 55.3 -8.9 254 254 A S E -L 249 0E 69 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.3 -0.834 12.1-170.3 -95.0 133.0 62.6 58.2 -6.5 255 255 A V E -L 248 0E 10 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.6 -0.983 18.2-138.4-127.7 132.2 59.1 59.7 -6.6 256 256 A V - 0 0 86 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.775 30.0-126.4 -86.7 119.5 58.0 62.9 -4.8 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.5 -11,-0.2 -0.417 21.1-169.2 -70.4 137.3 54.5 62.3 -3.4 258 258 A I - 0 0 26 -14,-3.2 4,-0.4 1,-0.2 -13,-0.2 0.420 44.6-106.0-110.9 2.1 51.8 64.7 -4.3 259 259 A G > - 0 0 27 -14,-2.5 4,-2.1 -15,-0.3 -1,-0.2 0.140 29.4 -80.1 101.3 158.4 49.0 63.6 -1.8 260 260 A R H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.712 119.7 59.6 -70.0 -31.7 45.7 61.7 -2.0 261 261 A D H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.979 110.6 41.9 -68.2 -49.1 43.5 64.6 -3.2 262 262 A K H > S+ 0 0 64 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.910 112.5 53.6 -63.1 -43.0 45.6 65.0 -6.4 263 263 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.936 110.8 48.3 -54.9 -48.5 45.9 61.2 -6.9 264 264 A G H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.930 113.8 45.4 -61.2 -44.7 42.0 61.0 -6.7 265 265 A K H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 113.7 48.9 -65.9 -44.1 41.5 63.9 -9.1 266 266 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.955 117.6 40.7 -63.4 -44.7 44.1 62.6 -11.6 267 267 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.838 112.3 54.6 -76.7 -31.4 42.6 59.1 -11.6 268 268 A Y H X S+ 0 0 35 -4,-3.0 4,-2.3 -5,-0.3 5,-0.2 0.960 111.6 47.0 -65.0 -34.0 39.0 60.3 -11.5 269 269 A R H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.903 112.2 47.2 -75.5 -42.9 39.7 62.3 -14.7 270 270 A A H X>S+ 0 0 0 -4,-2.2 4,-2.2 3,-0.2 5,-1.9 0.913 113.3 51.0 -60.2 -45.1 41.5 59.5 -16.5 271 271 A L H <5S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 119.4 33.0 -57.9 -48.7 38.7 57.1 -15.6 272 272 A T H <5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.654 131.3 27.7 -91.6 -11.2 35.9 59.4 -16.8 273 273 A Q H <5S+ 0 0 119 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.747 127.8 19.7-123.3 -28.7 37.6 61.1 -19.8 274 274 A Y T <5S+ 0 0 88 -4,-2.2 2,-0.2 -5,-0.4 -3,-0.2 0.555 91.0 94.6-123.2 -13.3 40.4 59.0 -21.4 275 275 A L < - 0 0 14 -5,-1.9 -120,-0.0 -4,-0.1 9,-0.0 -0.587 50.4-167.8 -84.4 143.1 40.1 55.3 -20.5 276 276 A T > - 0 0 60 -2,-0.2 3,-1.8 -122,-0.1 -123,-0.1 -0.782 39.6 -90.3-116.1 172.5 38.2 53.0 -22.9 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.6 0, 0.0 -123,-0.0 0.793 123.4 35.0 -58.4 -35.3 37.0 49.4 -22.5 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -117,-0.0 -118,-0.1 0.014 81.6 147.5-112.5 23.7 40.2 47.7 -23.6 279 279 A S < - 0 0 2 -3,-1.8 -115,-0.2 -118,-0.1 2,-0.2 -0.289 31.6-154.0 -55.8 142.3 42.8 50.1 -22.3 280 280 A N > - 0 0 61 -119,-0.1 4,-2.4 -116,-0.1 5,-0.2 -0.484 34.8 -87.8-111.2-180.0 46.1 48.5 -21.3 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.772 126.1 53.1 -55.7 -48.7 48.7 49.7 -18.8 282 282 A S H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.892 110.4 48.3 -51.9 -43.5 50.6 51.8 -21.3 283 283 A Q H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.945 108.2 54.8 -67.8 -34.0 47.3 53.6 -22.2 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.924 106.4 51.3 -63.1 -44.7 46.6 54.1 -18.5 285 285 A R H X S+ 0 0 35 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.972 112.3 46.8 -54.9 -52.1 50.0 55.8 -18.0 286 286 A A H X S+ 0 0 62 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.924 112.7 48.9 -56.4 -43.7 49.2 58.2 -21.0 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.925 113.4 47.3 -60.4 -48.4 45.7 58.9 -19.7 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.877 112.7 48.1 -62.5 -44.0 47.1 59.7 -16.3 289 289 A V H X S+ 0 0 23 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.941 113.0 49.0 -62.3 -45.8 49.8 61.9 -17.7 290 290 A Q H X S+ 0 0 85 -4,-3.3 4,-2.7 -5,-0.2 -2,-0.2 0.900 110.3 51.6 -60.9 -40.2 47.2 63.7 -19.8 291 291 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.875 110.1 46.9 -67.0 -42.9 44.9 64.1 -16.8 292 292 A A H X>S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.6 0.851 113.2 51.0 -62.6 -41.2 47.7 65.7 -14.6 293 293 A T H X5S+ 0 0 36 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.952 109.8 49.0 -56.8 -50.5 48.6 67.9 -17.6 294 294 A D H <5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 121.7 35.6 -57.2 -42.8 45.0 69.0 -18.0 295 295 A L H <5S+ 0 0 73 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.818 136.1 12.9 -81.9 -41.0 44.7 69.8 -14.3 296 296 A Y H <5S- 0 0 56 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.502 107.9 -96.4-120.5 -7.2 48.1 71.1 -13.3 297 297 A G ><< - 0 0 29 -4,-2.0 3,-1.3 -5,-0.6 6,-0.4 0.049 33.7 -86.0 102.8 150.6 50.1 71.9 -16.4 298 298 A S T 3 S+ 0 0 81 1,-0.2 -1,-0.1 -5,-0.1 -5,-0.1 0.870 124.8 42.3 -62.6 -32.7 52.6 70.1 -18.6 299 299 A T T 3 S+ 0 0 136 -6,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.255 88.8 119.8-104.2 25.0 55.6 71.3 -16.5 300 300 A S S <> S- 0 0 22 -3,-1.3 4,-1.6 1,-0.1 -3,-0.1 -0.287 74.7-117.7 -81.4 165.2 54.1 70.8 -13.0 301 301 A Q H > S+ 0 0 95 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.825 114.2 66.4 -65.7 -35.2 55.6 68.5 -10.3 302 302 A E H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 103.3 42.5 -53.7 -55.6 52.2 66.6 -10.6 303 303 A V H > S+ 0 0 4 -6,-0.4 4,-2.3 -11,-0.2 5,-0.2 0.913 112.3 56.0 -55.9 -44.0 53.1 65.5 -14.1 304 304 A A H X S+ 0 0 40 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.930 109.6 44.3 -56.8 -44.1 56.6 64.7 -13.1 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.865 108.8 56.5 -73.0 -40.0 55.5 62.3 -10.3 306 306 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.961 113.7 41.2 -52.6 -54.6 52.9 60.6 -12.5 307 307 A K H X S+ 0 0 86 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.893 113.9 51.9 -56.2 -42.3 55.7 59.7 -15.1 308 308 A Q H X S+ 0 0 77 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.859 109.4 50.2 -66.2 -39.2 58.3 58.8 -12.4 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.961 112.0 46.1 -73.2 -35.4 55.8 56.4 -10.7 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.5 0.931 113.8 50.7 -65.2 -39.3 54.9 54.6 -14.0 311 311 A D H ><5S+ 0 0 45 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.914 105.4 56.5 -64.3 -37.5 58.7 54.5 -14.7 312 312 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 111.0 43.5 -66.1 -30.5 59.3 53.0 -11.2 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.3 -3,-0.4 -1,-0.3 0.358 119.0-109.6 -95.0 11.9 56.9 50.2 -12.0 314 314 A G T < 5S+ 0 0 16 -3,-1.6 2,-0.7 -4,-0.5 -3,-0.2 0.729 70.3 139.5 82.2 18.8 58.3 49.6 -15.5 315 315 A V < 0 0 3 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.869 360.0 360.0-102.1 114.7 55.2 50.9 -17.4 316 316 A K 0 0 155 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.863 360.0 360.0-112.3 360.0 56.2 52.9 -20.5