==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-00 1FJV . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,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) . 12780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 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 85 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 152.3 8.3 52.2 0.0 2 2 A T + 0 0 136 23,-0.0 2,-0.3 21,-0.0 21,-0.0 -0.851 360.0 100.3 -98.4 125.6 6.3 55.4 0.6 3 3 A G - 0 0 36 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.887 69.8 -47.6-172.9-159.5 6.4 56.6 4.2 4 4 A T E -A 24 0A 92 20,-2.3 20,-3.4 -2,-0.3 2,-0.2 -0.897 48.9-123.2-101.8 133.7 7.9 59.0 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.441 45.2 153.8 -72.9 135.5 11.7 59.6 6.9 6 6 A T E -A 22 0A 52 16,-2.7 16,-2.6 -2,-0.2 2,-0.4 -0.829 39.6-110.5-151.5-178.5 13.1 58.9 10.4 7 7 A V E -A 21 0A 79 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.996 29.1-177.8-127.2 125.8 16.3 57.9 12.1 8 8 A G E -A 20 0A 4 12,-3.3 12,-2.2 -2,-0.4 2,-0.3 -0.502 16.7-130.7-114.3-175.5 16.9 54.6 13.9 9 9 A V E +Ab 19 61A 31 51,-1.7 53,-3.5 10,-0.2 2,-0.3 -0.977 32.2 142.2-139.3 145.8 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.4 -0.943 41.8 -94.4-161.2-169.2 21.8 50.0 15.7 11 11 A R E -A 17 0A 113 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.989 31.4-139.4-125.6 135.8 25.1 48.2 16.0 12 12 A G > - 0 0 5 4,-2.6 3,-2.1 -2,-0.4 56,-0.2 -0.095 39.5 -84.7 -81.5-178.4 27.5 47.3 13.1 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.795 128.3 51.4 -55.2 -40.3 29.5 44.2 12.5 14 14 A L T 3 S- 0 0 76 54,-0.1 -1,-0.3 2,-0.1 121,-0.0 0.428 121.4-104.1 -84.6 3.1 32.4 45.5 14.7 15 15 A G S < S+ 0 0 46 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.476 74.6 139.9 92.0 0.8 30.1 46.3 17.6 16 16 A D - 0 0 52 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.603 50.1-126.4 -84.2 143.7 30.0 50.1 17.1 17 17 A Q E +A 11 0A 130 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.694 35.7 167.8 -87.9 141.3 26.8 51.9 17.6 18 18 A K E -A 10 0A 16 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.3 -0.990 34.5-119.7-152.9 156.8 25.5 54.2 14.8 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.735 32.0-167.8 -92.8 140.2 22.4 56.1 13.7 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.3 -2,-0.3 2,-0.4 -0.984 24.4-113.7-132.2 149.7 20.9 55.1 10.3 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.627 45.3 169.4 -81.0 129.6 18.3 56.8 8.1 22 22 A T E -A 6 0A 1 -16,-2.6 -16,-2.7 -2,-0.4 2,-0.4 -0.717 28.7-126.4-136.1 173.3 15.1 54.7 7.9 23 23 A T E -AC 5 29A 0 6,-1.8 6,-2.9 -18,-0.2 2,-0.5 -1.000 17.0-144.0-127.2 139.7 11.6 55.0 6.6 24 24 A Y E +AC 4 28A 98 -20,-3.4 -20,-2.3 -2,-0.4 4,-0.2 -0.843 39.1 136.3-108.5 130.6 8.4 54.3 8.5 25 25 A S S S- 0 0 47 2,-3.1 2,-2.2 -2,-0.5 -23,-0.0 -0.598 94.1 -48.3-161.6 78.9 5.3 52.8 7.1 26 26 A T S S+ 0 0 113 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.465 140.5 36.1 83.2 -64.9 3.9 50.2 9.5 27 27 A Y S S- 0 0 117 -2,-2.2 -2,-3.1 -4,-0.0 2,-0.5 -0.640 95.0-112.4-102.2 170.4 7.4 48.7 9.8 28 28 A Y E -CD 24 57A 56 29,-3.2 29,-2.8 -4,-0.2 2,-0.3 -0.916 39.9-161.1 -98.4 127.4 10.6 50.7 9.8 29 29 A Y E -CD 23 56A 38 -6,-2.9 2,-2.2 -2,-0.5 -6,-1.8 -0.826 29.5-112.1-111.6 153.1 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.3 11,-0.3 2,-0.4 -0.552 72.4 128.9 -81.8 85.6 16.2 50.4 5.7 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.964 44.0-160.0-143.7 115.8 15.4 53.1 3.1 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.5 -2,-0.4 3,-0.5 -0.906 10.6 179.8-105.2 107.3 17.3 56.3 3.3 33 33 A N T 3 + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.374 67.7 79.8 -88.0 5.2 15.4 59.1 1.5 34 34 A T T 3 S+ 0 0 86 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.571 84.0 62.5 -88.8 -10.5 18.0 61.8 2.3 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.1 4,-0.1 -1,-0.2 -0.938 111.6 -63.5-124.3 111.7 20.5 60.8 -0.4 36 36 A G T 3 S- 0 0 26 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.192 112.7 -18.9 60.0-139.0 19.6 61.0 -4.1 37 37 A D T 3 S- 0 0 110 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.325 119.5 -84.1 -84.3 8.2 16.8 58.7 -5.2 38 38 A G < - 0 0 2 -3,-2.1 62,-2.3 60,-0.2 2,-0.4 -0.147 27.2-107.5 114.4 157.1 17.5 56.7 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.7 60,-0.2 2,-0.4 -0.996 36.4-170.6-121.1 127.2 19.6 54.0 -0.5 40 40 A F E -Ef 31 101B 23 60,-2.6 62,-2.2 -2,-0.4 2,-0.4 -0.985 7.9-160.3-125.5 129.9 17.8 50.6 0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.7 -2,-0.4 -11,-0.3 -0.932 12.0-166.8-119.7 132.6 19.1 47.6 2.0 42 42 A Y E -Gf 54 103B 27 60,-2.9 62,-2.5 -2,-0.4 2,-0.6 -0.842 21.6-127.2-117.5 156.0 17.6 44.1 1.5 43 43 A D E -Gf 53 104B 21 10,-2.8 10,-2.1 -2,-0.3 62,-0.2 -0.908 14.8-173.6-101.8 115.9 17.8 40.8 3.2 44 44 A A > - 0 0 3 60,-2.8 3,-2.2 -2,-0.6 5,-0.3 0.539 30.5-142.8 -87.3 -1.8 18.8 38.0 0.9 45 45 A K T 3 - 0 0 106 59,-0.4 61,-0.2 1,-0.3 60,-0.1 0.784 61.6 -56.4 49.0 43.9 18.1 35.5 3.8 46 46 A Y T 3 S+ 0 0 109 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.509 115.1 109.9 66.4 13.6 21.0 33.1 3.0 47 47 A R S < S- 0 0 177 -3,-2.2 60,-2.2 58,-0.3 -1,-0.3 -0.476 70.5-130.6-106.4 175.7 19.7 32.5 -0.6 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.326 71.6 110.5-108.8 6.2 21.2 33.7 -3.9 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.653 71.7 -99.5 -80.0 138.2 18.1 35.1 -5.4 50 50 A L S S- 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.904 80.2 -3.1-123.9 150.7 18.4 38.9 -5.6 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 77.7-166.5 -88.1 -9.9 17.6 41.3 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.790 47.3 -26.5 97.8-153.4 15.6 39.6 -1.6 53 53 A S E -G 43 0B 52 -10,-2.1 -10,-2.8 -2,-0.3 -8,-0.1 -0.860 66.1-105.1-104.8 138.9 13.2 41.6 0.7 54 54 A L E -G 42 0B 34 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.3 -0.340 54.0 -98.4 -63.0 134.8 13.6 45.3 1.6 55 55 A W - 0 0 11 -14,-2.7 -25,-2.1 -25,-0.3 2,-0.4 -0.445 48.9-173.6 -67.7 122.1 14.8 45.1 5.2 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.930 6.9-177.2-118.9 143.6 11.9 45.7 7.6 57 57 A D E -D 28 0A 21 -29,-2.8 -29,-3.2 -2,-0.4 3,-0.1 -0.993 24.4-140.7-142.0 144.5 12.1 46.1 11.3 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.768 94.9 20.2 -79.0 -28.3 9.4 46.4 14.0 59 59 A D S S- 0 0 95 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.274 94.4-114.8-127.3 10.9 10.9 49.0 16.4 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.714 81.3 112.9 67.9 23.9 13.7 51.0 14.5 61 61 A Q E -b 9 0A 103 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.3 -0.989 48.0-166.7-123.2 123.0 16.4 49.6 16.8 62 62 A F E +b 10 0A 0 -53,-3.5 -51,-2.2 -2,-0.4 9,-0.1 -0.591 41.8 125.4-121.0 72.7 18.9 47.3 15.0 63 63 A F + 0 0 56 -2,-0.5 -1,-0.1 -53,-0.2 2,-0.1 0.390 37.8 111.8-109.6 5.1 20.9 45.5 17.8 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.0 1,-0.1 4,-1.0 -0.445 75.0-124.5 -73.3 149.9 20.3 41.9 16.8 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.939 114.2 57.3 -68.0 -27.4 23.3 40.0 15.5 66 66 A Y G 34 S+ 0 0 70 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.767 104.2 55.6 -68.5 -23.7 21.4 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.3 1,-0.2 3,-0.7 0.738 84.8 85.5 -77.4 -26.2 20.9 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.865 113.6 51.2 -60.8 -34.5 25.6 43.4 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.4 5,-0.3 0.917 106.4 53.8 -70.8 -41.1 22.5 45.4 7.1 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -60,-0.2 -1,-0.2 0.934 114.3 40.9 -56.6 -50.5 23.3 48.3 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.908 112.3 53.6 -71.1 -33.0 26.8 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.908 115.5 42.0 -61.4 -43.5 25.9 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.950 118.3 44.3 -68.8 -43.2 23.3 50.8 4.7 75 75 A Y H X S+ 0 0 91 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.934 114.1 47.8 -72.3 -44.0 25.4 53.2 6.6 76 76 A Y H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.818 106.2 57.4 -74.4 -22.6 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.3 0.909 107.7 49.9 -67.6 -37.5 26.7 53.2 1.3 78 78 A G H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.933 110.4 49.2 -67.4 -40.4 25.6 56.6 2.7 79 79 A V H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.923 112.1 48.5 -63.7 -42.0 29.2 57.6 3.6 80 80 A T H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.914 110.7 50.4 -64.6 -41.2 30.4 56.6 0.1 81 81 A Y H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 11,-0.3 0.903 111.5 49.4 -58.8 -46.4 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 38 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.868 108.2 53.3 -62.2 -40.4 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.1 4,-2.8 2,-0.2 5,-0.7 0.969 111.9 44.3 -57.8 -54.5 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 7 -4,-2.3 6,-2.5 1,-0.2 4,-1.0 0.873 118.4 44.4 -63.5 -36.3 31.5 61.4 -4.0 85 85 A K H X5S+ 0 0 91 -4,-2.2 4,-1.0 4,-0.3 -1,-0.2 0.953 120.9 36.1 -70.0 -51.1 29.1 64.2 -3.6 86 86 A N H <5S+ 0 0 96 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.820 128.4 32.3 -74.4 -35.4 31.1 66.5 -1.3 87 87 A V H <5S+ 0 0 56 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.849 135.8 19.8 -90.2 -40.5 34.5 65.8 -2.6 88 88 A H H < - 0 0 64 -2,-0.5 6,-2.3 4,-0.2 4,-0.6 -0.834 64.8 -45.9 -94.5 102.7 25.6 62.5 -7.5 92 92 A S T >4 S- 0 0 7 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.020 92.4 -54.6 64.2-169.7 25.5 58.8 -6.9 93 93 A Y T 34 S+ 0 0 25 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.817 137.2 43.7 -77.9 -25.5 27.3 56.3 -9.2 94 94 A D T 34 S- 0 0 47 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.437 109.6-116.0 -93.0 -6.2 25.7 57.4 -12.5 95 95 A G S << S+ 0 0 34 -3,-0.7 -4,-0.2 -4,-0.6 -3,-0.2 0.488 103.0 80.0 86.2 3.8 26.0 61.1 -11.8 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.019 113.1 -94.5-133.3 29.5 22.2 61.5 -11.8 97 97 A N - 0 0 36 -6,-2.3 -60,-1.8 1,-0.2 -5,-0.2 0.823 54.1-174.1 65.4 32.6 21.4 60.2 -8.2 98 98 A A - 0 0 16 -7,-0.4 -5,-0.3 -62,-0.1 -60,-0.2 -0.335 34.1 -98.9 -52.2 144.7 20.6 56.6 -9.1 99 99 A A - 0 0 15 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.282 32.3-136.9 -66.4 142.1 19.2 54.6 -6.1 100 100 A I E -f 39 0B 7 -62,-2.3 -60,-2.6 -3,-0.1 2,-0.4 -0.928 23.0-172.6-104.7 124.0 21.8 52.5 -4.4 101 101 A R E +f 40 0B 94 -2,-0.6 19,-2.9 17,-0.3 2,-0.3 -0.969 5.8 178.9-118.7 138.8 20.6 49.0 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-2.9 -2,-0.4 2,-0.4 -0.997 12.3-158.2-134.3 145.5 22.5 46.4 -1.4 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.3 -2,-0.3 2,-0.2 -0.959 13.3-168.3-119.5 138.9 21.5 42.9 -0.3 104 104 A V E +f 43 0B 0 -62,-2.5 -60,-2.8 -2,-0.4 -59,-0.4 -0.680 63.6 44.8-119.6 173.4 23.2 41.2 2.8 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.7 -2,-0.2 2,-0.5 0.901 74.8 177.1 60.2 40.2 23.2 37.7 4.1 106 106 A Y - 0 0 34 16,-1.9 18,-0.4 -3,-0.2 4,-0.4 -0.709 51.1 -33.6 -80.5 122.4 23.8 36.4 0.5 107 107 A S S S- 0 0 35 -60,-2.2 2,-0.4 -2,-0.5 -60,-0.1 -0.114 92.8 -64.0 61.9-159.6 24.2 32.7 0.3 108 108 A Q S S- 0 0 154 1,-0.1 18,-0.1 15,-0.1 -1,-0.1 -0.994 107.6 -8.3-127.5 128.3 25.8 30.8 3.2 109 109 A G S S+ 0 0 43 -2,-0.4 2,-0.6 16,-0.4 17,-0.2 0.804 84.2 170.4 61.6 34.0 29.5 31.1 4.4 110 110 A Y - 0 0 70 -4,-0.4 15,-2.1 15,-0.3 2,-1.2 -0.673 25.5-158.2 -91.0 119.0 30.2 33.3 1.3 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 13,-0.2 -1,-0.1 -0.317 61.4 61.6 -90.3 49.7 33.6 35.0 1.5 112 112 A N - 0 0 80 -2,-1.2 11,-2.6 18,-0.0 2,-0.3 -0.986 53.7-154.5-161.6 172.5 33.0 37.8 -0.9 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.964 25.7 171.8-148.8 146.3 31.1 41.0 -1.7 114 114 A F E -I 121 0B 45 7,-2.7 7,-1.7 -2,-0.3 2,-0.5 -0.992 39.5-120.3-160.9 157.8 30.5 42.5 -5.2 115 115 A W E -I 120 0B 21 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.816 27.3-166.0 -91.9 120.7 28.8 45.0 -7.5 116 116 A N - 0 0 68 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.178 53.0 -88.9 -97.1 14.5 26.9 42.9 -10.0 117 117 A G S S+ 0 0 37 2,-0.2 3,-0.1 1,-0.0 -2,-0.1 0.094 124.5 38.5 100.8 -22.3 26.1 45.6 -12.5 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.551 121.5 -5.4-130.9 -28.5 22.8 46.7 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.5 -5,-0.1 -1,-0.4 -0.978 70.9 -86.4-160.2 174.7 23.4 46.5 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.9 -17,-2.2 -2,-0.3 2,-0.4 -0.616 33.7-167.0 -93.5 144.7 25.8 45.6 -4.1 121 121 A V E -hI 103 114B 0 -7,-1.7 -7,-2.7 -2,-0.3 2,-0.4 -0.994 2.5-168.9-132.3 130.7 25.8 42.0 -2.8 122 122 A Y E - I 0 113B 1 -19,-2.3 -16,-1.9 -2,-0.4 -17,-0.3 -0.985 8.8-153.8-127.7 128.1 27.5 41.0 0.5 123 123 A G - 0 0 1 -11,-2.6 10,-1.6 -2,-0.4 11,-0.4 -0.380 22.7-128.0 -82.0 167.6 28.3 37.5 1.9 124 124 A D - 0 0 26 -18,-0.4 3,-0.2 8,-0.2 -13,-0.2 0.435 45.2-124.7 -89.7 -4.5 28.6 37.0 5.7 125 125 A G - 0 0 6 -15,-2.1 -16,-0.4 -13,-0.2 -15,-0.3 -0.038 25.7 -89.2 79.9 167.6 32.0 35.3 5.4 126 126 A D - 0 0 73 -17,-0.2 -1,-0.2 4,-0.2 5,-0.1 0.306 58.4-111.3 -95.4 -2.7 32.6 31.8 6.9 127 127 A G S S+ 0 0 46 3,-2.2 4,-0.1 -3,-0.2 -2,-0.1 0.377 108.0 58.9 92.7 -8.4 33.6 33.3 10.2 128 128 A Q S S+ 0 0 157 2,-0.3 68,-0.4 67,-0.1 3,-0.1 0.636 113.4 27.3-115.3 -50.1 37.2 32.3 9.8 129 129 A T S S+ 0 0 48 1,-0.3 65,-3.5 65,-0.2 2,-0.3 0.884 136.8 1.3 -79.2 -43.1 38.5 33.9 6.6 130 130 A F B -J 193 0C 14 63,-0.3 -3,-2.2 64,-0.1 -1,-0.3 -0.992 56.3-145.2-144.3 155.5 36.0 36.7 6.8 131 131 A I S S- 0 0 37 61,-1.9 -6,-0.1 -2,-0.3 -5,-0.1 -0.552 73.8 -42.3-104.7 170.1 33.3 38.2 9.0 132 132 A P > - 0 0 28 0, 0.0 3,-2.0 0, 0.0 -8,-0.2 -0.080 61.3-136.8 -46.0 123.9 30.3 39.9 7.2 133 133 A L G > S+ 0 0 6 -10,-1.6 3,-1.6 1,-0.3 7,-0.2 0.731 94.2 70.9 -70.4 -17.0 32.0 42.0 4.4 134 134 A S G 3 S+ 0 0 0 -11,-0.4 -1,-0.3 1,-0.3 -58,-0.2 0.564 80.4 77.9 -74.1 -4.8 29.9 45.1 4.8 135 135 A G G < S+ 0 0 0 -3,-2.0 2,-0.7 1,-0.1 -1,-0.3 0.582 80.9 79.6 -76.9 -4.7 31.8 45.8 8.1 136 136 A G <> - 0 0 0 -3,-1.6 4,-2.4 1,-0.2 3,-0.2 -0.857 64.3-165.2-103.1 112.5 34.8 47.0 6.0 137 137 A I H > S+ 0 0 0 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.861 92.2 53.7 -66.8 -33.2 34.2 50.6 4.8 138 138 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 108.8 49.9 -67.8 -34.9 37.1 50.2 2.2 139 139 A V H > S+ 0 0 13 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.943 111.6 47.4 -64.3 -50.6 35.3 47.0 0.9 140 140 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -7,-0.2 5,-0.2 0.939 117.4 42.1 -54.4 -49.6 32.0 48.8 0.6 141 141 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.856 110.4 57.2 -72.2 -30.7 33.6 51.8 -1.2 142 142 A H H X S+ 0 0 7 -4,-2.2 4,-1.2 -5,-0.2 3,-0.2 0.977 112.4 41.8 -61.2 -49.1 35.8 49.6 -3.3 143 143 A E H >X S+ 0 0 24 -4,-2.8 4,-1.0 1,-0.2 3,-0.8 0.944 113.0 51.0 -69.2 -40.2 32.7 47.8 -4.7 144 144 A L H 3X S+ 0 0 7 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.820 103.1 61.5 -66.4 -23.0 30.6 51.0 -5.1 145 145 A T H 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.856 94.2 63.1 -72.0 -26.2 33.5 52.5 -7.0 146 146 A H H <>S+ 0 0 0 -4,-2.6 5,-3.5 1,-0.2 3,-1.1 0.920 107.5 57.2 -58.0 -38.6 33.8 53.1 -13.3 150 150 A D H 3<5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.5 43.7 -61.7 -38.4 31.0 51.1 -15.1 151 151 A Y H 3<5S+ 0 0 124 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.536 127.4 25.7 -83.4 -9.4 29.2 54.4 -15.8 152 152 A T T <<5S+ 0 0 44 -3,-1.1 -3,-0.2 -4,-0.8 120,-0.1 0.492 133.5 8.8-118.5 -94.6 32.3 56.4 -16.8 153 153 A A T 5S- 0 0 5 118,-0.3 -3,-0.2 123,-0.1 126,-0.1 0.811 77.5-150.7 -62.9 -34.4 35.5 54.7 -18.2 154 154 A G < - 0 0 25 -5,-3.5 -4,-0.2 1,-0.2 -1,-0.1 0.765 17.1-165.5 69.6 35.3 33.8 51.3 -18.5 155 155 A L - 0 0 5 -6,-0.2 123,-0.2 1,-0.1 -1,-0.2 -0.194 20.4-120.4 -58.4 123.9 37.1 49.5 -18.0 156 156 A I - 0 0 70 121,-2.5 2,-1.8 1,-0.1 9,-0.3 -0.405 22.7-113.7 -68.3 156.2 36.6 45.8 -19.1 157 157 A Y S S+ 0 0 90 4,-0.1 2,-0.3 5,-0.1 73,-0.1 -0.308 82.2 75.4 -89.8 53.7 37.2 43.3 -16.4 158 158 A Q S >> S- 0 0 92 -2,-1.8 4,-2.0 71,-0.1 3,-0.5 -0.987 85.9 -12.3-160.3 157.4 40.3 41.5 -17.8 159 159 A N H 3> S- 0 0 92 68,-2.4 4,-1.7 -2,-0.3 5,-0.1 -0.181 120.3 -18.2 47.6-146.7 44.0 41.9 -18.3 160 160 A E H 3> S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 139.6 53.3 -64.4 -36.1 45.5 45.4 -17.8 161 161 A S H <> S+ 0 0 10 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.877 110.1 48.6 -65.1 -36.6 42.2 47.2 -18.1 162 162 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.810 109.4 52.5 -67.1 -36.2 40.7 45.0 -15.4 163 163 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.901 110.3 48.0 -66.8 -38.2 43.8 45.5 -13.1 164 164 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.940 109.5 54.2 -60.4 -44.5 43.3 49.3 -13.5 165 165 A N H X S+ 0 0 3 -4,-2.3 4,-1.9 -9,-0.3 -2,-0.2 0.949 111.7 43.9 -57.4 -47.9 39.6 48.8 -12.7 166 166 A E H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.904 113.1 51.0 -63.3 -46.0 40.5 47.0 -9.4 167 167 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.912 107.0 53.4 -57.3 -43.7 43.2 49.5 -8.5 168 168 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.932 109.8 49.6 -58.1 -43.5 40.8 52.4 -9.0 169 169 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.874 112.5 46.4 -64.2 -40.4 38.4 50.6 -6.6 170 170 A D H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.934 112.5 51.2 -68.5 -42.7 41.2 50.1 -4.0 171 171 A I H X S+ 0 0 1 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.963 116.1 38.5 -56.6 -54.7 42.3 53.8 -4.3 172 172 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.863 112.6 57.4 -69.4 -32.5 38.9 55.3 -3.8 173 173 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.927 110.5 45.5 -58.7 -42.8 38.0 52.7 -1.2 174 174 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 110.5 52.3 -65.3 -45.2 41.0 53.9 0.7 175 175 A L H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.906 109.2 50.4 -61.8 -35.2 40.2 57.5 0.2 176 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.921 108.1 53.5 -67.1 -37.5 36.6 56.9 1.6 177 177 A E H X>S+ 0 0 0 -4,-1.9 5,-1.7 -5,-0.2 4,-0.5 0.922 112.1 44.1 -64.3 -35.3 38.2 55.2 4.6 178 178 A F H ><5S+ 0 0 33 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.906 110.5 55.7 -72.3 -38.9 40.4 58.3 5.2 179 179 A Y H 3<5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.893 111.9 42.2 -61.2 -39.1 37.4 60.6 4.6 180 180 A A H 3<5S- 0 0 37 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.602 103.5-138.3 -81.1 -12.8 35.4 58.8 7.3 181 181 A N T <<5 + 0 0 123 -3,-0.6 2,-1.3 -4,-0.5 -3,-0.2 0.910 43.4 160.3 56.9 42.2 38.5 58.8 9.5 182 182 A K S > S+ 0 0 0 -2,-0.5 3,-1.8 12,-0.2 4,-1.5 0.362 76.8 139.8 82.3 16.6 39.9 44.6 4.0 190 190 A E T 34 + 0 0 35 1,-0.3 10,-0.2 2,-0.2 9,-0.1 0.740 66.3 57.3 -70.7 -25.6 41.7 44.6 7.3 191 191 A D T 34 S+ 0 0 41 1,-0.2 -1,-0.3 -58,-0.1 10,-0.1 0.741 119.8 27.1 -75.6 -19.5 38.6 45.2 9.4 192 192 A V T <4 S+ 0 0 1 -3,-1.8 -61,-1.9 -59,-0.1 2,-0.3 0.502 96.1 99.8-121.1 0.3 36.8 42.1 8.1 193 193 A Y B < S-J 130 0C 62 -4,-1.5 -63,-0.3 1,-0.2 4,-0.2 -0.753 94.8 -16.4 -93.3 140.9 39.5 39.7 7.1 194 194 A T > - 0 0 18 -65,-3.5 3,-2.6 -2,-0.3 -1,-0.2 0.877 61.1-157.6 33.5 81.1 40.6 36.7 9.4 195 195 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 0.819 87.8 58.0 -53.5 -28.5 39.1 37.7 12.7 196 196 A G T 3 S+ 0 0 79 -68,-0.4 2,-0.4 2,-0.0 -2,-0.1 0.345 98.2 61.0 -84.8 3.8 41.7 35.5 14.5 197 197 A I S X S- 0 0 98 -3,-2.6 3,-0.5 -4,-0.2 2,-0.2 -0.985 73.4-146.6-125.4 123.7 44.9 37.1 13.2 198 198 A S T 3 S+ 0 0 124 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.552 73.1 24.9 -90.5 160.8 45.8 40.8 14.0 199 199 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.542 92.5 102.9 84.2 -6.5 47.7 43.0 11.6 200 200 A D < + 0 0 29 -3,-0.5 2,-0.3 -10,-0.2 -1,-0.2 -0.553 40.1 178.9-104.7-175.7 47.0 41.4 8.2 201 201 A S - 0 0 2 -2,-0.2 -12,-0.2 -3,-0.1 3,-0.1 -0.947 43.3 -96.7-168.2 176.3 44.7 42.3 5.3 202 202 A L S S- 0 0 57 -14,-2.2 2,-0.3 -2,-0.3 -13,-0.1 0.804 101.5 -3.3 -75.0 -43.0 43.7 41.1 1.8 203 203 A R E -K 188 0D 27 -15,-1.0 -15,-3.1 -3,-0.1 2,-0.4 -0.967 62.4-140.5-143.8 163.7 46.0 43.5 -0.0 204 204 A S E -K 187 0D 1 -2,-0.3 -17,-0.2 -17,-0.3 7,-0.1 -0.981 7.2-169.9-128.7 130.5 48.4 46.3 0.8 205 205 A M S S+ 0 0 0 -19,-3.1 37,-0.2 -2,-0.4 -18,-0.2 0.783 91.5 51.8 -83.9 -29.4 48.8 49.4 -1.3 206 206 A S S S+ 0 0 33 -20,-0.9 -1,-0.1 1,-0.3 -19,-0.1 0.883 133.3 8.4 -80.0 -25.4 51.9 50.6 0.5 207 207 A D > + 0 0 67 -21,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.528 65.9 175.3-153.1 81.6 53.7 47.3 0.0 208 208 A P G > >S+ 0 0 1 0, 0.0 5,-2.1 0, 0.0 3,-1.5 0.800 77.5 67.2 -60.6 -28.6 51.8 45.0 -2.3 209 209 A A G > 5S+ 0 0 46 1,-0.3 3,-2.0 3,-0.3 6,-0.0 0.745 78.1 81.3 -70.0 -18.2 54.7 42.4 -2.1 210 210 A K G < 5S+ 0 0 116 -3,-1.7 -1,-0.3 1,-0.3 -7,-0.0 0.845 106.1 31.5 -53.1 -35.7 53.9 41.7 1.6 211 211 A Y G < 5S- 0 0 77 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.169 128.2 -97.0-107.0 13.9 51.2 39.4 0.3 212 212 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.3 1,-0.3 -2,-0.1 0.585 78.2 136.9 84.1 12.4 53.0 38.4 -2.9 213 213 A D < - 0 0 26 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.689 62.1 -96.8 -90.6 153.6 51.4 40.9 -5.4 214 214 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.229 31.1-174.5 -66.0 145.5 53.7 42.6 -7.8 215 215 A D S S+ 0 0 15 1,-0.2 2,-0.3 -7,-0.1 3,-0.1 0.108 71.5 46.8-125.5 19.0 55.0 46.1 -7.0 216 216 A H S > S- 0 0 36 1,-0.1 3,-2.0 98,-0.1 98,-0.2 -0.968 82.9-118.7-158.9 145.8 56.8 46.7 -10.4 217 217 A Y G > S+ 0 0 58 96,-3.4 3,-1.6 -2,-0.3 97,-0.1 0.777 110.9 63.2 -62.3 -28.2 55.8 46.1 -14.0 218 218 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 95,-0.2 96,-0.1 0.693 103.2 50.6 -71.5 -13.2 58.6 43.6 -14.6 219 219 A K G < S+ 0 0 118 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.166 82.0 136.8-103.9 14.4 56.9 41.3 -12.0 220 220 A R < - 0 0 98 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.300 60.2-111.3 -64.9 153.3 53.5 41.4 -13.5 221 221 A Y - 0 0 74 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.664 32.5-179.8 -82.3 128.1 51.4 38.2 -13.8 222 222 A T + 0 0 116 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.0 0.387 46.7 93.6-113.3 5.4 51.0 37.1 -17.4 223 223 A G S S- 0 0 31 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.129 82.0-102.7 -81.6-153.3 48.9 33.9 -17.2 224 224 A T S > S+ 0 0 126 4,-0.1 4,-0.9 3,-0.1 3,-0.4 0.561 76.3 110.9-113.3 -13.0 45.1 33.4 -17.4 225 225 A Q H >> S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 3,-0.8 -0.239 80.5 21.1 -61.7 157.5 44.0 33.0 -13.8 226 226 A D H 3> S- 0 0 52 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.924 138.7 -58.9 53.7 43.8 41.9 35.7 -12.2 227 227 A N H 34 S- 0 0 90 -3,-0.4 -68,-2.4 1,-0.3 -1,-0.3 0.877 113.1 -38.7 53.2 41.0 40.8 37.1 -15.6 228 228 A G H << S- 0 0 5 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.859 115.5 -54.0 81.9 29.5 44.5 37.6 -16.4 229 229 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 3,-0.1 3,-0.5 0.777 78.2 155.6 81.5 35.2 45.5 38.8 -12.9 230 230 A V T < S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.3 -63,-0.1 0.853 82.6 38.8 -66.8 -31.5 43.1 41.7 -12.3 231 231 A H T 4 S+ 0 0 65 -5,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.653 122.5 44.3 -87.0 -13.9 43.4 41.3 -8.5 232 232 A I T >4 S+ 0 0 47 -3,-0.5 3,-1.9 -6,-0.2 4,-0.2 0.921 113.2 44.5 -93.8 -51.4 47.2 40.6 -8.7 233 233 A N T >X S+ 0 0 8 -4,-2.8 3,-1.4 1,-0.3 4,-0.7 0.653 93.4 80.9 -75.4 -8.7 48.5 43.2 -11.2 234 234 A S H 3> S+ 0 0 0 -4,-0.5 4,-2.6 -5,-0.4 3,-0.4 0.788 77.9 74.1 -62.8 -23.4 46.4 45.9 -9.5 235 235 A G H <> S+ 0 0 1 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.849 88.7 58.3 -60.5 -29.3 49.3 46.0 -7.0 236 236 A I H <> S+ 0 0 0 -3,-1.4 4,-1.6 -4,-0.2 -1,-0.2 0.924 112.3 38.3 -66.5 -43.6 51.5 47.8 -9.5 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.4 5,-0.2 0.851 113.3 56.3 -73.7 -37.3 49.0 50.7 -9.8 238 238 A N H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.923 108.2 48.6 -60.2 -42.9 48.2 50.7 -6.1 239 239 A K H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 110.4 51.1 -64.8 -40.6 51.9 51.2 -5.3 240 240 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.897 111.6 47.2 -60.7 -43.6 52.1 54.0 -7.8 241 241 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.915 110.5 52.0 -66.5 -35.9 49.1 55.7 -6.2 242 242 A Y H X S+ 0 0 56 -4,-2.5 4,-3.3 -37,-0.2 5,-0.4 0.931 111.1 48.3 -64.6 -42.7 50.5 55.2 -2.7 243 243 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 3,-0.2 -2,-0.2 0.928 108.3 52.9 -66.7 -39.3 53.8 56.8 -3.9 244 244 A I H < S+ 0 0 1 -4,-2.4 14,-3.1 -5,-0.2 15,-0.5 0.944 119.2 36.9 -58.5 -46.8 52.0 59.8 -5.5 245 245 A S H < S+ 0 0 3 -4,-2.1 14,-1.9 12,-0.2 -2,-0.2 0.948 134.6 18.9 -68.0 -54.8 50.2 60.4 -2.3 246 246 A Q H < S- 0 0 86 -4,-3.3 11,-0.4 -5,-0.2 -3,-0.2 0.660 93.6-140.3-100.3 -18.8 52.8 59.6 0.3 247 247 A G < + 0 0 12 -4,-2.7 2,-0.2 -5,-0.4 9,-0.2 0.019 34.1 145.3 80.8 172.7 56.2 59.8 -1.5 248 248 A G E -L 255 0E 34 7,-2.2 7,-2.5 -5,-0.1 2,-0.5 -0.795 50.2 -83.9 142.4 175.2 59.1 57.4 -1.0 249 249 A T E +L 254 0E 90 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.960 41.8 178.4-118.2 124.4 61.9 55.7 -2.9 250 250 A H E > S-L 253 0E 16 3,-2.3 3,-2.5 -2,-0.5 -2,-0.0 -0.998 71.0 -11.1-135.8 125.7 61.0 52.5 -4.7 251 251 A Y T 3 S- 0 0 114 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.832 131.5 -54.4 47.4 42.7 63.5 50.5 -6.8 252 252 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.441 112.1 119.2 79.1 3.1 65.8 53.5 -6.5 253 253 A V E < -L 250 0E 40 -3,-2.5 -3,-2.3 59,-0.1 2,-0.3 -0.883 54.1-144.3-108.0 128.7 63.4 56.1 -7.8 254 254 A S E -L 249 0E 71 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.697 15.0-171.8 -98.2 136.7 62.5 58.9 -5.5 255 255 A V E -L 248 0E 8 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.6 -0.985 17.8-141.6-127.2 126.6 58.9 60.4 -5.4 256 256 A V - 0 0 89 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.808 29.7-125.4 -86.1 123.4 57.8 63.5 -3.5 257 257 A G - 0 0 28 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.395 22.5-171.1 -69.2 144.8 54.4 62.9 -2.1 258 258 A I - 0 0 28 -14,-3.1 4,-0.4 1,-0.1 -13,-0.2 0.422 46.2-110.2-116.7 -1.7 51.6 65.4 -3.0 259 259 A G > - 0 0 24 -14,-1.9 4,-2.0 -15,-0.5 3,-0.2 0.119 27.5 -75.5 98.9 167.4 48.9 64.0 -0.6 260 260 A R H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.779 119.0 57.4 -75.5 -40.2 45.6 62.2 -0.7 261 261 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 111.9 41.3 -58.4 -48.5 43.4 65.0 -1.8 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.860 111.4 57.8 -69.4 -37.3 45.4 65.7 -5.0 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.930 108.9 45.8 -51.7 -52.1 45.7 62.0 -5.5 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.897 112.7 50.0 -58.6 -43.8 41.9 61.7 -5.5 265 265 A K H X S+ 0 0 98 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.918 112.2 47.0 -67.7 -40.9 41.4 64.7 -7.8 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 116.7 42.6 -63.4 -50.1 44.0 63.5 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.854 112.8 52.4 -68.0 -33.8 42.6 59.9 -10.5 268 268 A Y H X S+ 0 0 31 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.935 112.7 46.0 -65.9 -43.1 38.9 61.0 -10.5 269 269 A R H X>S+ 0 0 75 -4,-1.9 4,-2.1 -5,-0.3 5,-0.5 0.944 113.1 49.2 -62.6 -46.3 39.6 63.3 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-1.9 -5,-0.2 4,-1.9 0.953 114.5 46.6 -60.2 -43.3 41.6 60.5 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.3 1,-0.2 -1,-0.2 0.887 119.0 37.7 -65.8 -41.0 38.7 58.1 -14.7 272 272 A T H <5S+ 0 0 38 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.647 129.7 25.1 -94.1 -10.8 35.9 60.4 -15.8 273 273 A Q H <5S+ 0 0 118 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.664 127.8 21.7-122.3 -24.0 37.5 62.2 -18.7 274 274 A Y T < - 0 0 65 -2,-0.2 3,-1.7 -122,-0.1 -123,-0.1 -0.785 41.6 -86.2-127.1 176.6 38.2 54.1 -22.0 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.755 125.3 37.5 -58.8 -31.0 37.1 50.5 -21.8 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.188 79.7 144.2-112.1 21.9 40.4 49.1 -23.1 279 279 A S < - 0 0 4 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.2 -0.279 33.0-156.9 -58.5 137.8 42.9 51.4 -21.5 280 280 A N > - 0 0 62 -120,-0.1 4,-2.3 -116,-0.1 3,-0.2 -0.462 35.7 -87.6-106.5-174.1 46.2 49.7 -20.5 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 126.8 53.8 -63.5 -41.5 48.7 50.8 -17.9 282 282 A S H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 110.1 47.7 -59.1 -36.6 50.7 52.9 -20.3 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.896 107.5 56.0 -74.4 -30.0 47.5 54.8 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.917 106.0 51.9 -65.9 -40.1 46.6 55.2 -17.5 285 285 A R H X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.948 111.6 46.0 -60.0 -47.2 50.0 56.9 -17.1 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.906 113.1 50.1 -60.2 -40.0 49.2 59.3 -19.9 287 287 A A H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.904 111.8 47.2 -66.5 -40.1 45.7 60.0 -18.5 288 288 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.907 113.3 48.8 -70.6 -37.9 47.1 60.7 -15.0 289 289 A V H X S+ 0 0 24 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.932 112.6 47.3 -66.2 -46.7 49.8 63.0 -16.4 290 290 A Q H X S+ 0 0 85 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.901 112.3 51.2 -60.7 -41.0 47.3 64.9 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 110.8 46.1 -61.0 -45.5 44.9 65.2 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.897 113.0 52.3 -64.4 -37.4 47.6 66.6 -13.3 293 293 A T H X S+ 0 0 36 -4,-2.4 4,-2.4 3,-0.2 -2,-0.2 0.943 108.9 49.8 -62.6 -47.8 48.6 68.9 -16.2 294 294 A D H < S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 120.1 36.0 -53.1 -48.2 45.0 70.1 -16.5 295 295 A L H < S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.839 134.9 14.6 -76.7 -42.1 44.6 70.8 -12.8 296 296 A Y H < S- 0 0 64 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.506 107.0 -95.0-121.4 -3.8 48.1 72.1 -11.8 297 297 A G >< - 0 0 30 -4,-2.4 3,-1.6 -5,-0.4 6,-0.4 0.117 34.6 -91.2 100.8 144.5 50.1 73.0 -14.9 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.689 125.1 48.2 -70.4 -13.7 52.7 71.1 -17.0 299 299 A T T 3 S+ 0 0 141 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.307 88.0 119.7-110.8 21.1 55.6 72.4 -14.9 300 300 A S S <> S- 0 0 19 -3,-1.6 4,-1.8 1,-0.1 5,-0.1 -0.264 74.2-120.9 -78.2 162.2 54.0 71.7 -11.5 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 112.8 63.6 -64.0 -34.0 55.4 69.4 -8.8 302 302 A E H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 104.2 44.5 -61.9 -44.1 52.2 67.4 -9.1 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.4 -11,-0.2 -1,-0.2 0.919 112.3 53.3 -62.7 -43.1 52.9 66.4 -12.7 304 304 A A H X S+ 0 0 41 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.922 108.8 48.7 -60.7 -41.7 56.5 65.6 -11.7 305 305 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.853 108.2 53.4 -67.1 -39.8 55.4 63.3 -8.9 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.920 111.6 47.3 -58.7 -46.0 52.9 61.4 -11.1 307 307 A K H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 112.3 47.9 -61.7 -47.3 55.7 60.8 -13.6 308 308 A Q H X S+ 0 0 77 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.865 109.2 54.2 -60.6 -38.9 58.2 59.6 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.886 111.1 44.0 -61.1 -48.2 55.7 57.3 -9.4 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.4 0.890 113.7 51.4 -66.2 -35.2 54.9 55.5 -12.7 311 311 A D H ><5S+ 0 0 45 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.940 105.7 56.8 -63.8 -37.1 58.7 55.4 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.0 42.2 -63.9 -35.0 59.2 53.9 -10.0 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.4 -3,-0.2 -1,-0.3 0.371 119.5-109.7 -95.5 12.1 56.8 51.0 -10.8 314 314 A G T < 5 + 0 0 13 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.2 0.711 69.6 141.2 78.4 23.4 58.2 50.6 -14.3 315 315 A V < 0 0 4 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.864 360.0 360.0-104.7 113.1 55.2 51.9 -16.3 316 316 A K 0 0 151 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.655 360.0 360.0-106.4 360.0 56.2 54.0 -19.3