==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-10 3MSF . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.BEHNEN,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 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 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 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 83 0, 0.0 2,-0.5 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 137.4 8.4 51.6 -0.0 2 2 A T + 0 0 138 23,-0.1 2,-0.3 21,-0.1 21,-0.0 -0.814 360.0 103.2 -88.4 131.1 6.2 54.7 0.3 3 3 A G - 0 0 45 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.937 68.6 -59.0-177.6-162.2 6.5 55.9 3.9 4 4 A T E -A 24 0A 85 20,-2.2 20,-3.0 -2,-0.3 2,-0.3 -0.893 48.6-109.8-114.1 145.4 8.1 58.5 6.1 5 5 A S E +A 23 0A 77 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.533 47.5 164.1 -75.2 129.8 11.8 59.1 6.7 6 6 A T E -A 22 0A 38 16,-2.6 16,-2.1 -2,-0.3 2,-0.5 -0.752 33.2-121.1-134.6 176.1 13.0 58.0 10.1 7 7 A V E -A 21 0A 86 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.942 24.4-170.5-134.0 119.4 16.3 57.3 11.8 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.3 -2,-0.5 2,-0.3 -0.455 9.8-143.5 -97.3 174.3 17.1 54.0 13.4 9 9 A V E +Ab 19 61A 33 51,-1.8 53,-2.9 10,-0.2 2,-0.3 -0.979 31.3 131.5-134.7 150.5 20.0 53.0 15.6 10 10 A G E -Ab 18 62A 0 8,-1.9 8,-3.1 -2,-0.3 2,-0.4 -0.943 47.4 -85.7-169.7-167.7 22.1 49.8 15.8 11 11 A R E -A 17 0A 103 51,-1.7 6,-0.3 -2,-0.3 60,-0.2 -0.936 33.8-134.8-120.1 141.2 25.5 48.2 16.0 12 12 A G > - 0 0 3 4,-3.7 3,-2.3 -2,-0.4 56,-0.2 -0.289 40.2 -83.4 -86.2-179.4 27.7 47.2 13.1 13 13 A V T 3 S+ 0 0 30 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.786 129.9 49.7 -49.2 -43.1 29.6 44.0 12.5 14 14 A L T 3 S- 0 0 90 121,-0.1 -1,-0.3 54,-0.1 -2,-0.0 0.411 124.5-102.6 -83.1 -0.7 32.6 45.2 14.6 15 15 A G S < S+ 0 0 45 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.567 73.5 141.3 94.7 10.6 30.2 46.2 17.4 16 16 A D - 0 0 59 1,-0.0 -4,-3.7 -5,-0.0 2,-0.4 -0.631 49.6-123.4 -85.4 142.4 30.1 49.9 16.9 17 17 A Q E +A 11 0A 133 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.3 -0.661 38.1 166.4 -86.0 131.1 26.9 51.9 17.4 18 18 A K E -A 10 0A 16 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.3 -0.998 34.9-118.2-147.5 153.9 25.6 53.9 14.5 19 19 A N E -A 9 0A 100 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.689 30.8-166.1 -88.0 145.0 22.6 55.8 13.3 20 20 A I E -A 8 0A 2 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.6 -0.965 23.5-116.5-132.6 145.7 20.9 54.6 10.0 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 10,-0.2 -0.727 43.6 174.0 -86.1 120.8 18.4 56.2 7.8 22 22 A T E -A 6 0A 1 -16,-2.1 -16,-2.6 -2,-0.6 2,-0.4 -0.660 27.7-127.6-121.0 173.7 15.2 54.2 7.7 23 23 A T E -AC 5 29A 0 6,-2.4 6,-3.1 -18,-0.2 2,-0.6 -0.988 19.3-145.0-127.0 131.6 11.7 54.3 6.2 24 24 A Y E +AC 4 28A 93 -20,-3.0 -20,-2.2 -2,-0.4 4,-0.2 -0.851 40.4 133.5-106.1 127.5 8.6 53.8 8.2 25 25 A S S S- 0 0 43 2,-2.3 2,-1.4 -2,-0.6 -23,-0.1 -0.439 95.7 -46.5-164.7 83.6 5.4 52.1 6.9 26 26 A T S S+ 0 0 107 32,-0.0 2,-0.3 -2,-0.0 -2,-0.1 -0.460 139.5 35.8 85.7 -54.4 4.1 49.6 9.4 27 27 A Y S S- 0 0 114 -2,-1.4 -2,-2.3 -4,-0.1 2,-0.7 -0.761 94.1-108.3-113.1 161.7 7.7 48.3 9.7 28 28 A Y E -CD 24 57A 55 29,-3.9 29,-3.1 -2,-0.3 2,-0.3 -0.876 39.4-160.6 -95.5 122.1 10.9 50.1 9.6 29 29 A Y E -CD 23 56A 39 -6,-3.1 -6,-2.4 -2,-0.7 2,-1.6 -0.731 28.8-115.6-102.2 151.0 12.8 49.5 6.4 30 30 A L S S+ 0 0 0 25,-1.5 11,-2.5 11,-0.4 2,-0.3 -0.684 71.3 129.9 -80.6 79.4 16.4 49.9 5.5 31 31 A Q E -E 40 0B 11 -2,-1.6 2,-0.7 -10,-0.2 9,-0.2 -0.934 44.9-158.0-142.6 106.2 15.6 52.6 2.9 32 32 A D E > +E 39 0B 3 7,-2.9 7,-1.5 -2,-0.3 3,-0.5 -0.832 13.3 177.7 -96.3 108.4 17.5 55.8 3.1 33 33 A N T 3 + 0 0 55 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.454 68.5 78.8 -89.0 -2.5 15.6 58.6 1.4 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.534 86.1 63.4 -87.5 -6.8 18.2 61.3 2.2 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.5 1,-0.1 -1,-0.1 -0.952 110.4 -68.2-126.6 116.2 20.6 60.2 -0.6 36 36 A G T 3 S- 0 0 32 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.029 111.3 -16.3 44.6-131.5 19.6 60.5 -4.2 37 37 A N T 3 S- 0 0 109 60,-1.2 -1,-0.3 1,-0.3 62,-0.2 0.219 120.2 -77.6 -90.0 24.8 16.9 58.2 -5.3 38 38 A G < - 0 0 2 -3,-2.5 62,-2.7 60,-0.1 2,-0.4 0.056 29.4-111.5 106.8 149.6 17.5 56.1 -2.2 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.9 60,-0.2 2,-0.4 -0.993 36.0-168.0-118.1 125.6 19.7 53.5 -0.6 40 40 A F E -Ef 31 101B 23 60,-3.2 62,-2.6 -2,-0.4 2,-0.4 -0.970 7.8-165.7-127.6 124.2 18.1 50.1 -0.2 41 41 A T E - f 0 102B 0 -11,-2.5 14,-3.2 -2,-0.4 -11,-0.4 -0.950 10.6-172.1-121.4 129.9 19.2 47.2 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.6 -2,-0.4 2,-0.5 -0.781 22.3-126.0-121.8 159.2 17.9 43.6 1.5 43 43 A D E -Gf 53 104B 17 10,-2.2 10,-1.8 -2,-0.3 62,-0.2 -0.956 11.9-172.8-111.0 116.3 18.1 40.2 3.3 44 44 A A > - 0 0 3 60,-2.9 3,-1.9 -2,-0.5 5,-0.3 0.511 33.5-140.2 -85.9 -9.3 19.1 37.3 1.1 45 45 A K T 3 - 0 0 113 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.823 63.7 -53.6 55.0 43.7 18.4 35.1 4.2 46 46 A Y T 3 S+ 0 0 108 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.559 119.8 104.0 71.7 11.4 21.3 32.7 3.6 47 47 A R S < S- 0 0 170 -3,-1.9 60,-2.3 58,-0.4 -1,-0.3 -0.505 74.3-125.4-115.0-173.8 20.1 32.0 0.1 48 48 A T + 0 0 77 58,-0.2 2,-0.5 -2,-0.2 -3,-0.1 0.328 68.9 113.5-120.7 5.3 21.3 33.2 -3.4 49 49 A T S S- 0 0 90 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.695 70.1-103.9 -76.7 127.5 18.1 34.6 -4.8 50 50 A L S S- 0 0 55 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.872 79.5 -4.1-119.0 149.5 18.7 38.4 -5.2 51 51 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 82.8-168.3 -81.2 -9.0 18.1 40.9 -4.1 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.688 45.8 -24.6 90.6-149.0 15.8 39.2 -1.6 53 53 A S E -G 43 0B 47 -10,-1.8 -10,-2.2 -2,-0.3 3,-0.1 -0.833 68.3-102.1-107.3 137.4 13.4 41.2 0.6 54 54 A L E -G 42 0B 33 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.1 -0.280 55.6 -95.8 -50.3 129.7 13.8 44.8 1.6 55 55 A W - 0 0 10 -14,-3.2 -25,-1.5 -25,-0.3 2,-0.5 -0.312 47.5-166.8 -62.6 126.3 15.1 44.7 5.2 56 56 A A E +D 29 0A 49 -27,-0.2 2,-0.4 -2,-0.1 -27,-0.2 -0.953 10.6 177.4-119.7 127.6 12.2 45.0 7.6 57 57 A D E -D 28 0A 23 -29,-3.1 -29,-3.9 -2,-0.5 5,-0.1 -0.987 23.9-145.8-133.5 139.1 12.4 45.8 11.4 58 58 A A S S+ 0 0 72 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.792 93.5 22.9 -73.9 -31.6 9.6 46.2 13.8 59 59 A D S S- 0 0 81 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.322 96.2-114.0-127.3 7.8 11.1 48.8 16.1 60 60 A N S S+ 0 0 21 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.667 80.4 118.4 69.6 13.0 13.9 50.7 14.3 61 61 A Q E -b 9 0A 103 -53,-0.2 -2,-0.3 -33,-0.0 2,-0.3 -0.970 41.9-174.0-113.4 129.8 16.5 49.2 16.6 62 62 A F E +b 10 0A 0 -53,-2.9 -51,-1.7 -2,-0.5 9,-0.1 -0.530 39.9 121.2-123.6 62.6 19.2 47.1 14.9 63 63 A F + 0 0 57 -2,-0.3 -1,-0.1 -53,-0.3 -53,-0.1 0.356 40.1 111.1-108.0 0.4 21.3 45.6 17.7 64 64 A A S >> S- 0 0 52 -3,-0.2 4,-0.9 1,-0.1 3,-0.5 -0.386 76.1-122.3 -71.0 156.6 20.8 41.9 17.0 65 65 A S G >4 S+ 0 0 114 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.864 114.8 56.9 -68.4 -33.3 23.8 40.0 15.6 66 66 A Y G 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.726 105.7 53.3 -63.9 -23.4 21.8 39.0 12.5 67 67 A D G X> S+ 0 0 17 -3,-0.5 4,-2.4 1,-0.2 3,-0.6 0.742 86.2 84.7 -82.1 -26.6 21.2 42.8 11.9 68 68 A A H S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.880 113.2 49.5 -58.3 -35.7 25.8 43.1 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.3 5,-0.3 0.933 106.9 54.2 -69.8 -44.1 22.8 45.0 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -60,-0.2 -1,-0.2 0.944 114.4 41.5 -52.5 -48.6 23.5 48.0 9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.902 112.3 51.2 -70.1 -44.3 27.0 48.3 7.9 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.946 115.7 45.1 -58.2 -44.0 26.1 47.6 4.3 74 74 A H H X S+ 0 0 5 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.963 116.9 43.2 -61.3 -54.7 23.5 50.3 4.6 75 75 A Y H X S+ 0 0 99 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.927 114.0 48.1 -65.6 -43.3 25.6 52.8 6.4 76 76 A Y H X S+ 0 0 29 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.785 105.9 58.2 -74.2 -23.9 28.8 52.4 4.4 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.4 -1,-0.2 0.932 107.8 49.4 -63.3 -40.8 26.9 52.7 1.1 78 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 110.4 49.3 -61.8 -42.4 25.8 56.1 2.4 79 79 A V H X S+ 0 0 15 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.921 112.2 47.0 -63.5 -46.0 29.3 57.1 3.3 80 80 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.880 108.6 57.8 -61.2 -38.1 30.5 56.1 -0.1 81 81 A Y H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 11,-0.3 0.943 108.3 45.1 -55.7 -48.6 27.6 58.0 -1.6 82 82 A D H X S+ 0 0 41 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.833 106.5 59.9 -72.8 -26.2 28.7 61.1 0.1 83 83 A Y H X>S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 5,-0.7 0.984 108.9 42.4 -63.8 -50.9 32.4 60.7 -0.9 84 84 A Y H X5S+ 0 0 4 -4,-2.0 6,-2.8 3,-0.2 4,-1.3 0.890 120.3 43.9 -62.1 -37.8 31.6 60.7 -4.6 85 85 A K H X5S+ 0 0 92 -4,-2.0 4,-0.8 4,-0.3 -1,-0.2 0.943 121.1 36.3 -74.6 -45.9 29.1 63.6 -4.2 86 86 A N H <5S+ 0 0 101 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.878 129.7 31.4 -76.8 -33.1 31.2 65.8 -1.9 87 87 A V H <5S+ 0 0 41 -4,-2.6 -3,-0.2 -5,-0.5 -2,-0.2 0.820 136.6 18.0 -95.6 -36.2 34.6 65.0 -3.4 88 88 A H H < - 0 0 25 0, 0.0 3,-2.2 0, 0.0 -8,-0.2 -0.081 60.2-140.0 -50.5 127.1 30.4 39.6 7.3 133 133 A L G > S+ 0 0 5 -10,-1.5 3,-1.6 1,-0.3 6,-0.2 0.709 93.9 71.3 -74.9 -19.4 32.1 41.5 4.5 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.1 0.593 79.3 81.5 -66.6 -11.3 30.1 44.6 4.8 135 135 A G G < S+ 0 0 0 -3,-2.2 2,-0.7 1,-0.1 -1,-0.3 0.723 80.4 77.4 -66.0 -17.3 31.9 45.2 8.0 136 136 A G <> - 0 0 0 -3,-1.6 4,-2.3 1,-0.2 3,-0.4 -0.828 64.9-164.0 -96.6 111.6 34.8 46.6 5.8 137 137 A I H > S+ 0 0 8 -2,-0.7 4,-2.7 1,-0.3 5,-0.3 0.908 94.5 53.0 -64.0 -35.7 34.2 50.1 4.5 138 138 A D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.829 108.5 52.0 -67.2 -26.4 36.9 49.6 1.9 139 139 A V H > S+ 0 0 10 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.922 110.8 46.0 -73.8 -41.7 35.1 46.5 0.8 140 140 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.947 115.7 45.0 -65.3 -48.5 31.8 48.2 0.4 141 141 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.881 109.3 57.4 -64.7 -39.3 33.3 51.2 -1.5 142 142 A H H X S+ 0 0 8 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.954 110.9 43.9 -49.0 -55.2 35.4 48.8 -3.6 143 143 A E H >X S+ 0 0 17 -4,-2.1 4,-0.9 2,-0.2 3,-0.7 0.928 113.9 46.5 -65.9 -43.4 32.2 47.1 -4.7 144 144 A L H >X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.3 3,-0.6 0.893 106.5 62.0 -67.6 -30.9 30.1 50.2 -5.3 145 145 A T H 3X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.3 0.826 92.5 63.2 -62.6 -28.2 33.0 51.6 -7.2 146 146 A H H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-1.0 0.928 109.0 53.8 -58.7 -50.4 33.5 51.9 -13.5 150 150 A D H 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 113.1 44.3 -58.8 -31.8 30.9 50.0 -15.4 151 151 A Y H 3<5S+ 0 0 132 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.623 127.3 26.3 -86.0 -19.8 29.0 53.2 -16.0 152 152 A T T <<5S+ 0 0 44 -4,-1.1 -3,-0.2 -3,-1.0 120,-0.1 0.595 136.4 3.2-107.4-101.5 32.1 55.2 -17.0 153 153 A A T 5S- 0 0 5 118,-0.5 -3,-0.2 123,-0.1 3,-0.1 0.855 77.6-153.0 -54.4 -45.1 35.2 53.6 -18.5 154 154 A G < - 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0 0 73 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.736 29.3-130.2 -82.6 117.2 57.5 62.5 -4.8 257 257 A G - 0 0 31 -2,-0.7 -12,-0.3 -11,-0.4 -11,-0.2 -0.380 19.6-168.8 -68.3 147.4 54.1 61.9 -3.2 258 258 A I - 0 0 24 -14,-2.5 4,-0.4 1,-0.2 -13,-0.2 0.328 46.8-102.7-118.4 3.0 51.4 64.4 -4.0 259 259 A G > - 0 0 28 -14,-2.4 4,-1.9 -15,-0.3 -1,-0.2 0.086 30.7 -84.4 89.1 159.8 48.8 63.3 -1.4 260 260 A R H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.824 118.8 61.4 -79.2 -26.7 45.6 61.3 -1.7 261 261 A D H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 109.7 42.6 -62.8 -40.8 43.3 64.1 -2.6 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-3.5 2,-0.2 5,-0.2 0.922 112.9 52.8 -73.3 -39.4 45.2 64.7 -5.8 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.956 111.1 48.2 -50.4 -54.3 45.6 61.0 -6.5 264 264 A G H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.913 113.0 47.5 -54.7 -47.6 41.8 60.8 -6.1 265 265 A K H X S+ 0 0 71 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.922 113.2 47.5 -65.2 -42.5 41.3 63.7 -8.4 266 266 A I H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.927 115.3 44.0 -66.3 -40.0 43.6 62.5 -11.1 267 267 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.832 109.8 54.3 -80.3 -29.3 42.2 59.0 -11.1 268 268 A Y H X S+ 0 0 31 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.953 112.4 46.1 -63.7 -42.5 38.6 60.0 -11.1 269 269 A R H X>S+ 0 0 69 -4,-1.9 4,-2.8 -5,-0.3 5,-0.5 0.957 112.8 48.8 -61.1 -51.6 39.3 62.1 -14.1 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-1.7 0.904 114.0 47.6 -51.0 -49.8 41.2 59.3 -15.8 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.5 1,-0.2 -1,-0.2 0.845 119.8 38.1 -61.5 -36.8 38.4 57.0 -15.0 272 272 A T H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.702 129.7 20.9 -96.9 -19.4 35.7 59.4 -16.3 273 273 A Q H <5S+ 0 0 110 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.558 129.3 24.4-127.1 -11.1 37.2 61.0 -19.3 274 274 A Y T < - 0 0 63 -2,-0.1 3,-2.1 -122,-0.1 -122,-0.1 -0.852 40.9 -88.9-133.1 162.4 37.9 52.9 -22.2 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.809 125.0 38.2 -48.0 -36.9 36.7 49.3 -21.9 278 278 A T T 3 S+ 0 0 95 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.258 81.6 144.1-103.8 15.6 39.9 47.8 -23.4 279 279 A S < - 0 0 5 -3,-2.1 -115,-0.2 -126,-0.1 2,-0.2 -0.239 32.3-156.4 -55.9 137.7 42.5 50.1 -21.8 280 280 A N > - 0 0 55 -120,-0.1 4,-2.5 -119,-0.1 5,-0.2 -0.503 33.9 -89.9-104.9-178.5 45.7 48.5 -20.9 281 281 A F H > S+ 0 0 2 2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.924 126.7 47.8 -55.0 -54.7 48.4 49.6 -18.3 282 282 A S H > S+ 0 0 56 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.861 112.6 51.9 -57.5 -35.5 50.4 51.7 -20.7 283 283 A Q H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.916 105.9 52.9 -70.4 -33.8 47.1 53.3 -21.7 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.904 105.5 56.1 -64.7 -36.2 46.3 53.9 -18.0 285 285 A R H X S+ 0 0 33 -4,-2.4 4,-2.4 31,-0.2 -1,-0.2 0.943 109.3 45.7 -57.1 -46.6 49.6 55.6 -17.8 286 286 A A H X S+ 0 0 62 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.885 110.9 52.1 -65.4 -41.3 48.7 57.9 -20.6 287 287 A A H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.915 112.9 44.7 -60.9 -42.8 45.2 58.6 -19.2 288 288 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.893 111.6 51.1 -73.5 -40.3 46.6 59.6 -15.8 289 289 A V H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.949 114.4 45.2 -60.3 -44.3 49.4 61.8 -17.2 290 290 A Q H X S+ 0 0 85 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.907 111.7 52.3 -66.4 -38.9 46.9 63.6 -19.3 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.917 111.6 46.7 -59.9 -42.3 44.5 63.9 -16.4 292 292 A A H X S+ 0 0 0 -4,-2.7 4,-3.6 2,-0.2 5,-0.5 0.903 112.0 50.8 -68.7 -40.4 47.3 65.4 -14.3 293 293 A T H X S+ 0 0 34 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.951 109.7 49.9 -59.3 -48.1 48.2 67.7 -17.1 294 294 A D H < S+ 0 0 61 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 119.5 39.5 -54.2 -41.9 44.6 68.8 -17.4 295 295 A L H < S+ 0 0 60 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.821 134.0 8.5 -83.1 -40.1 44.5 69.4 -13.7 296 296 A Y H < S- 0 0 72 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.2 0.372 108.9 -83.4-134.0 7.8 47.8 70.9 -12.8 297 297 A G >< - 0 0 30 -4,-2.0 3,-2.0 -5,-0.5 6,-0.4 0.289 37.4 -92.6 97.7 136.1 49.8 71.8 -15.8 298 298 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.709 126.7 42.6 -54.2 -22.9 52.1 69.9 -18.1 299 299 A T T 3 S+ 0 0 135 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.434 88.3 122.5-109.8 3.2 55.1 70.9 -16.1 300 300 A S S <> S- 0 0 17 -3,-2.0 4,-1.4 1,-0.1 -3,-0.1 -0.156 73.3-118.8 -54.9 156.6 53.6 70.4 -12.6 301 301 A Q H > S+ 0 0 89 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.755 114.3 64.4 -57.7 -37.1 55.1 68.1 -10.0 302 302 A E H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.948 103.4 44.3 -60.3 -49.5 51.8 66.2 -10.2 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-1.8 -11,-0.2 -1,-0.2 0.906 114.5 50.8 -61.2 -39.4 52.5 65.2 -13.8 304 304 A A H X S+ 0 0 38 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.885 109.3 49.7 -71.4 -34.3 56.1 64.4 -12.9 305 305 A S H X S+ 0 0 0 -4,-3.2 4,-3.3 2,-0.2 5,-0.2 0.924 106.3 55.3 -69.1 -40.5 55.1 62.2 -10.0 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.933 111.4 45.4 -58.5 -42.6 52.6 60.3 -12.0 307 307 A K H X S+ 0 0 88 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.933 112.0 51.4 -63.0 -46.2 55.4 59.5 -14.5 308 308 A Q H X S+ 0 0 50 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.918 110.2 50.4 -56.5 -47.0 57.8 58.6 -11.7 309 309 A A H X S+ 0 0 0 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.921 112.4 43.9 -61.0 -46.9 55.2 56.2 -10.3 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-3.4 2,-0.2 4,-0.4 0.893 113.0 54.0 -69.4 -36.4 54.5 54.4 -13.5 311 311 A D H ><5S+ 0 0 86 -4,-2.9 3,-2.5 -5,-0.2 -2,-0.2 0.977 105.3 54.0 -54.0 -54.3 58.2 54.3 -14.2 312 312 A A H 3<5S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 109.4 46.3 -56.5 -32.2 58.8 52.7 -10.8 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.1 -5,-0.2 -1,-0.3 0.485 120.2-109.3 -93.0 8.6 56.3 49.9 -11.5 314 314 A G T < 5S+ 0 0 29 -3,-2.5 2,-0.7 -4,-0.4 -3,-0.2 0.728 70.8 142.0 82.7 23.3 57.8 49.4 -14.9 315 315 A V < 0 0 4 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.860 360.0 360.0-108.6 115.9 54.9 50.7 -16.9 316 316 A K 0 0 97 -2,-0.7 -31,-0.2 -3,-0.1 -30,-0.2 -0.562 360.0 360.0 -95.6 360.0 55.7 52.8 -20.0