==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 13-DEC-12 4IEI . COMPND 2 MOLECULE: GENE 2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA PHAGE SF6; . AUTHOR H.ZHAO,T.CHRISTENSEN,Y.KAMAU,L.TANG . 449 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 2 3 2 0 2 1 0 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 3 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 PARALLEL BRIDGES PER LADDER . 3 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 5 A N > 0 0 79 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 90.0 12.2 43.5 28.6 2 6 A P G > + 0 0 108 0, 0.0 3,-1.9 0, 0.0 0, 0.0 0.569 360.0 66.2 -44.1 -39.7 11.1 47.1 29.3 3 7 A I G 3 S+ 0 0 65 1,-0.3 169,-0.0 169,-0.2 0, 0.0 0.677 99.2 56.8 -57.7 -18.8 13.7 48.2 32.0 4 8 A F G X S+ 0 0 7 -3,-2.5 3,-3.1 1,-0.2 4,-0.3 0.521 71.0 104.9 -95.3 -5.6 16.4 47.9 29.3 5 9 A E G X> S+ 0 0 100 -3,-1.9 3,-2.0 1,-0.3 4,-0.5 0.790 70.6 66.3 -45.6 -37.4 14.9 50.3 26.7 6 10 A P G >4 S+ 0 0 32 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.740 88.5 68.1 -60.8 -18.5 17.4 53.0 27.6 7 11 A F G <4 S+ 0 0 2 -3,-3.1 -2,-0.2 1,-0.2 4,-0.1 0.562 90.7 63.6 -73.3 -8.3 20.1 50.7 26.1 8 12 A I G <4 S+ 0 0 114 -3,-2.0 -1,-0.2 -4,-0.3 -3,-0.1 0.760 92.4 75.1 -84.7 -26.0 18.5 51.3 22.7 9 13 A E S << S- 0 0 98 -3,-0.6 2,-0.3 -4,-0.5 0, 0.0 -0.400 100.4 -87.9 -80.3 162.1 19.4 55.0 22.9 10 14 A A + 0 0 79 -2,-0.1 2,-0.3 127,-0.0 -1,-0.1 -0.553 59.0 149.0 -74.0 128.4 22.9 56.3 22.3 11 15 A H - 0 0 45 -2,-0.3 127,-0.2 124,-0.1 152,-0.1 -0.927 47.3-134.7-152.7 140.4 25.2 56.4 25.4 12 16 A R S S+ 0 0 68 150,-0.3 126,-3.0 -2,-0.3 2,-0.5 0.888 97.3 35.5 -60.6 -41.0 28.9 55.9 25.6 13 17 A Y E -ab 138 163A 25 149,-2.0 151,-3.3 124,-0.2 2,-0.5 -0.968 61.6-179.4-120.1 126.1 28.5 53.6 28.7 14 18 A K E +ab 139 164A 4 124,-2.6 126,-3.1 -2,-0.5 2,-0.5 -0.955 14.1 179.5-122.0 111.1 25.7 51.2 29.2 15 19 A V E -ab 140 165A 0 149,-2.9 151,-3.0 -2,-0.5 2,-0.6 -0.950 13.4-171.6-123.2 121.8 26.1 49.3 32.4 16 20 A A E +ab 141 166A 0 124,-3.3 126,-2.0 -2,-0.5 2,-0.4 -0.937 12.5 179.7-111.6 111.2 23.8 46.7 33.8 17 21 A K E +ab 142 167A 24 149,-2.8 151,-2.4 -2,-0.6 2,-0.3 -0.901 21.1 109.3-114.1 141.1 24.5 45.6 37.3 18 22 A G E - b 0 168A 2 124,-1.9 151,-0.2 -2,-0.4 183,-0.2 -0.979 54.8 -74.9 176.7 177.7 22.6 43.0 39.3 19 23 A G > - 0 0 0 149,-0.8 3,-1.1 180,-0.3 180,-0.2 -0.054 66.4 -53.0 -84.5-171.2 22.4 39.6 40.9 20 24 A R T 3 S+ 0 0 101 178,-2.3 150,-0.3 1,-0.2 -1,-0.2 -0.363 118.8 14.6 -68.0 137.6 21.9 36.2 39.5 21 25 A G T 3 S+ 0 0 17 -3,-0.1 -1,-0.2 148,-0.1 152,-0.1 0.658 79.0 132.6 76.5 20.0 18.9 35.5 37.2 22 26 A S S < S- 0 0 2 -3,-1.1 147,-0.2 146,-0.2 -2,-0.1 0.696 71.7-120.4 -75.8 -19.6 18.1 39.2 36.6 23 27 A G S > S+ 0 0 14 150,-0.1 4,-2.2 145,-0.1 5,-0.2 0.464 75.7 126.8 91.5 3.7 17.8 38.7 32.9 24 28 A K H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.824 71.6 48.4 -65.1 -32.0 20.6 41.2 32.1 25 29 A S H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 112.6 46.4 -74.9 -47.4 22.5 38.7 29.9 26 30 A W H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 113.5 51.3 -60.7 -39.8 19.6 37.6 27.8 27 31 A A H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.956 112.3 44.0 -62.0 -53.2 18.5 41.3 27.4 28 32 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 113.6 50.3 -61.3 -44.6 21.9 42.5 26.2 29 33 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.922 112.2 49.4 -60.6 -41.5 22.4 39.5 23.9 30 34 A R H X S+ 0 0 90 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.947 112.4 45.7 -62.1 -49.6 19.0 40.2 22.4 31 35 A L H X S+ 0 0 36 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.871 113.0 51.0 -62.0 -37.8 19.7 43.9 21.9 32 36 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.918 110.3 48.7 -68.2 -42.6 23.1 43.2 20.4 33 37 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.932 111.8 49.2 -59.0 -46.0 21.6 40.6 17.9 34 38 A E H < S+ 0 0 26 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.851 111.0 50.6 -65.1 -33.9 18.8 43.1 16.9 35 39 A A H >X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 3,-1.8 0.921 107.2 53.7 -66.6 -44.4 21.4 45.8 16.4 36 40 A A H 3< S+ 0 0 0 -4,-2.3 52,-0.5 1,-0.3 50,-0.3 0.779 103.1 57.8 -62.1 -27.7 23.5 43.5 14.2 37 41 A R T 3< S+ 0 0 56 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.620 119.0 29.7 -76.7 -10.6 20.5 42.8 12.0 38 42 A R T <4 S+ 0 0 156 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.648 117.6 43.3-124.2 -23.3 20.2 46.5 11.2 39 43 A Q S < S- 0 0 104 -4,-2.4 2,-2.5 -5,-0.1 -1,-0.3 -0.965 77.4-119.2-130.1 142.9 23.6 48.2 11.4 40 44 A P + 0 0 94 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.348 57.7 165.1 -76.5 62.2 26.9 47.1 10.0 41 45 A V - 0 0 10 -2,-2.5 48,-2.2 -6,-0.2 2,-0.6 -0.599 38.5-141.8 -87.9 139.9 28.4 47.1 13.5 42 46 A R E -c 89 0A 88 65,-0.5 67,-2.4 -2,-0.3 68,-1.9 -0.899 26.9-164.5 -92.9 120.3 31.7 45.5 14.6 43 47 A I E -cd 90 110A 0 46,-3.4 48,-2.3 -2,-0.6 2,-0.6 -0.922 10.7-160.0-118.5 118.4 31.0 44.1 18.1 44 48 A L E -cd 91 111A 0 66,-3.0 68,-3.0 -2,-0.6 2,-0.6 -0.857 2.2-162.3 -95.5 123.8 33.7 43.0 20.5 45 49 A C E +cd 92 112A 6 46,-3.2 48,-2.0 -2,-0.6 2,-0.3 -0.942 24.0 179.1-100.8 119.6 32.6 40.6 23.3 46 50 A A E +cd 93 113A 1 66,-3.3 68,-2.2 -2,-0.6 2,-0.3 -0.867 16.7 170.6-126.5 154.3 35.3 40.8 25.9 47 51 A R E -c 94 0A 27 46,-1.2 48,-3.0 -2,-0.3 49,-0.2 -0.961 44.5-105.4-151.7 165.2 36.0 39.2 29.3 48 52 A E S S+ 0 0 19 66,-0.4 48,-2.2 -2,-0.3 49,-0.5 0.966 104.8 17.3 -57.2 -53.7 38.9 39.1 31.8 49 53 A L + 0 0 74 45,-0.2 2,-0.4 46,-0.2 -1,-0.2 -0.973 56.7 174.7-132.2 127.6 39.8 35.5 31.0 50 54 A Q + 0 0 29 -2,-0.4 44,-0.3 -3,-0.2 3,-0.1 -0.803 6.4 167.6-130.0 89.9 38.9 33.3 28.0 51 55 A N S S+ 0 0 117 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.783 76.7 4.9 -75.3 -26.2 40.7 30.0 28.1 52 56 A S S > S- 0 0 52 -3,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.968 80.2-104.8-146.8 166.4 38.5 28.6 25.4 53 57 A I G > S+ 0 0 30 -2,-0.3 3,-1.9 1,-0.3 5,-0.4 0.834 114.5 70.2 -60.1 -30.9 35.7 29.9 23.1 54 58 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.626 89.2 62.4 -62.8 -12.8 33.2 28.1 25.2 55 59 A D G < S+ 0 0 63 -3,-2.0 -1,-0.3 4,-0.0 -2,-0.2 0.647 94.1 81.1 -84.1 -15.3 33.8 30.6 28.1 56 60 A S S < S- 0 0 13 -3,-1.9 3,-0.5 -4,-0.3 4,-0.2 -0.169 94.7-105.6 -82.9-179.0 32.6 33.5 25.9 57 61 A V S > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.260 88.3 106.8 -89.1 11.6 29.0 34.6 25.1 58 62 A I H > S+ 0 0 8 -5,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.869 79.3 49.8 -63.9 -33.5 29.0 33.2 21.6 59 63 A R H > S+ 0 0 169 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.885 109.4 51.5 -70.3 -40.9 26.7 30.3 22.7 60 64 A L H > S+ 0 0 31 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 111.4 48.1 -59.7 -43.9 24.3 32.7 24.3 61 65 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.903 111.1 50.3 -65.4 -40.1 24.2 34.8 21.1 62 66 A E H X S+ 0 0 63 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.926 110.9 49.3 -61.7 -46.1 23.6 31.7 19.0 63 67 A D H X S+ 0 0 52 -4,-2.5 4,-3.6 2,-0.2 -2,-0.2 0.896 111.2 49.7 -58.4 -44.9 20.8 30.6 21.3 64 68 A T H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.947 111.6 48.7 -58.4 -51.7 19.2 34.0 21.1 65 69 A I H <>S+ 0 0 1 -4,-2.6 5,-2.8 1,-0.2 4,-0.5 0.927 116.8 41.7 -53.9 -48.9 19.5 34.0 17.3 66 70 A E H ><5S+ 0 0 125 -4,-2.8 3,-1.2 3,-0.2 -2,-0.2 0.924 111.2 57.2 -67.6 -42.6 17.9 30.5 17.1 67 71 A R H 3<5S+ 0 0 91 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.895 111.0 41.7 -53.5 -47.0 15.3 31.4 19.8 68 72 A E T 3<5S- 0 0 77 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.484 116.3-113.1 -84.1 -2.9 14.0 34.3 17.8 69 73 A G T < 5S+ 0 0 61 -3,-1.2 -3,-0.2 -4,-0.5 3,-0.2 0.850 78.4 127.2 76.4 36.3 14.1 32.4 14.5 70 74 A Y > < + 0 0 33 -5,-2.8 3,-2.4 -6,-0.2 4,-0.3 0.284 28.9 115.6-104.7 5.7 16.9 34.5 12.9 71 75 A S G > S+ 0 0 51 -6,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.847 70.2 56.1 -48.2 -46.8 19.2 31.6 12.0 72 76 A A G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.576 99.9 62.9 -66.9 -9.1 19.0 32.0 8.2 73 77 A E G < S+ 0 0 59 -3,-2.4 11,-3.2 -8,-0.1 12,-0.4 0.558 99.2 68.1 -87.6 -9.1 20.2 35.6 8.6 74 78 A F E < -E 83 0A 15 -3,-1.9 2,-0.5 -4,-0.3 9,-0.2 -0.792 63.8-142.5-122.7 151.4 23.5 34.7 10.0 75 79 A E E -E 82 0A 62 7,-3.3 7,-2.7 -2,-0.3 2,-0.5 -0.948 26.8-162.6-102.1 131.4 26.9 33.0 9.3 76 80 A I E +E 81 0A 77 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.959 15.2 165.6-122.9 120.3 28.2 31.1 12.3 77 81 A Q E > -E 80 0A 103 3,-2.8 3,-0.5 -2,-0.5 -2,-0.0 -0.680 53.4 -88.1-118.3 179.2 31.8 29.9 12.8 78 82 A R T 3 S+ 0 0 206 1,-0.2 -20,-0.1 -2,-0.2 3,-0.0 0.860 123.7 10.7 -55.6 -41.7 33.7 28.6 15.8 79 83 A S T 3 S+ 0 0 61 1,-0.0 13,-0.5 -21,-0.0 2,-0.3 0.070 122.7 61.5-130.2 23.8 34.7 32.0 17.0 80 84 A M E < -EF 77 91A 25 -3,-0.5 -3,-2.8 11,-0.1 2,-0.4 -0.998 49.2-163.6-152.5 146.2 32.7 34.4 14.9 81 85 A I E -EF 76 90A 0 9,-1.2 9,-3.1 -2,-0.3 2,-0.4 -1.000 17.4-177.6-127.4 131.3 29.1 35.4 14.1 82 86 A R E -EF 75 89A 62 -7,-2.7 -7,-3.3 -2,-0.4 2,-0.5 -0.985 24.0-132.1-131.4 138.3 28.3 37.5 11.1 83 87 A H E > -E 74 0A 15 5,-2.5 4,-1.8 -2,-0.4 -9,-0.2 -0.786 13.7-147.2 -89.0 131.9 25.0 39.0 9.8 84 88 A L T 4 S+ 0 0 91 -11,-3.2 -10,-0.1 -2,-0.5 -1,-0.1 0.666 92.9 41.7 -75.5 -19.5 24.5 38.2 6.0 85 89 A G T 4 S+ 0 0 64 -12,-0.4 -1,-0.2 3,-0.0 -48,-0.1 0.910 127.6 24.0 -90.3 -54.8 22.6 41.5 5.3 86 90 A T T 4 S- 0 0 28 -50,-0.3 -2,-0.2 -47,-0.1 3,-0.1 0.671 92.3-130.1 -85.6 -20.3 24.5 44.2 7.3 87 91 A N < + 0 0 105 -4,-1.8 -3,-0.1 1,-0.2 -50,-0.1 0.555 49.1 163.1 69.6 9.8 27.8 42.4 7.5 88 92 A A - 0 0 1 -52,-0.5 -5,-2.5 -49,-0.1 2,-0.4 -0.264 21.5-155.3 -50.0 146.6 27.8 43.1 11.2 89 93 A E E -cF 42 82A 49 -48,-2.2 -46,-3.4 -7,-0.2 2,-0.4 -0.993 16.2-154.1-140.2 131.7 30.3 40.9 13.0 90 94 A F E -cF 43 81A 0 -9,-3.1 -9,-1.2 -2,-0.4 2,-0.3 -0.857 17.2-179.2 -96.9 139.0 30.8 39.5 16.6 91 95 A M E -cF 44 80A 15 -48,-2.3 -46,-3.2 -2,-0.4 2,-0.4 -0.953 12.8-148.2-134.9 158.4 34.2 38.6 17.8 92 96 A F E +c 45 0A 9 -13,-0.5 2,-0.3 -2,-0.3 -46,-0.2 -0.963 22.2 160.2-137.1 113.5 35.3 37.2 21.2 93 97 A Y E -c 46 0A 50 -48,-2.0 -46,-1.2 -2,-0.4 2,-0.4 -0.974 34.0-131.3-133.5 151.6 38.5 37.8 23.1 94 98 A G E > -c 47 0A 1 -2,-0.3 4,-1.4 -44,-0.3 -46,-0.2 -0.811 17.8-146.8 -89.5 138.4 39.9 37.5 26.6 95 99 A I T 4 S+ 0 0 0 -48,-3.0 -47,-0.2 -2,-0.4 7,-0.2 0.967 97.3 43.5 -72.1 -53.0 41.8 40.6 27.8 96 100 A K T 4 S+ 0 0 143 -48,-2.2 -1,-0.2 -49,-0.2 -47,-0.1 0.850 111.0 59.5 -58.0 -37.0 44.4 38.9 30.0 97 101 A N T 4 S+ 0 0 60 -49,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.957 127.3 0.6 -59.6 -61.3 44.9 36.2 27.3 98 102 A N X + 0 0 66 -4,-1.4 4,-1.5 1,-0.1 3,-0.4 -0.597 64.3 164.4-134.4 75.9 46.0 38.3 24.3 99 103 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 79.2 61.0 -56.1 -38.2 46.1 42.1 25.2 100 104 A T H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.907 101.9 49.9 -57.7 -46.3 48.2 42.7 22.1 101 105 A K H > S+ 0 0 86 -3,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.892 109.1 52.7 -61.4 -39.5 45.4 41.4 19.8 102 106 A I H >< S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.935 105.9 51.6 -65.0 -46.5 42.8 43.7 21.5 103 107 A K H 3< S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.1 53.9 -55.5 -31.5 44.9 46.9 21.1 104 108 A S H 3< S+ 0 0 59 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.626 81.6 113.2 -82.6 -15.5 45.2 46.0 17.4 105 109 A L << - 0 0 13 -3,-1.3 2,-0.3 -4,-0.7 3,-0.1 -0.302 51.7-160.0 -60.9 139.1 41.5 45.7 16.8 106 110 A E + 0 0 142 1,-0.1 -2,-0.1 25,-0.1 25,-0.1 -0.921 56.4 17.3-126.3 150.5 40.0 48.3 14.5 107 111 A G S S+ 0 0 34 -2,-0.3 -65,-0.5 1,-0.2 2,-0.3 0.694 70.0 169.6 71.8 20.4 36.6 49.8 13.8 108 112 A I + 0 0 6 22,-0.2 25,-0.4 1,-0.2 -1,-0.2 -0.509 12.8 176.7 -70.6 123.8 34.9 48.5 16.9 109 113 A D + 0 0 31 -67,-2.4 28,-2.7 -2,-0.3 2,-0.4 0.803 68.4 20.6 -93.5 -41.3 31.5 50.1 17.3 110 114 A I E -dg 43 137A 10 -68,-1.9 -66,-3.0 26,-0.2 2,-0.5 -0.999 59.9-166.8-133.0 132.0 30.3 48.2 20.4 111 115 A C E -dg 44 138A 0 26,-2.3 28,-3.5 -2,-0.4 2,-0.6 -0.985 6.6-163.1-116.0 121.9 32.2 46.4 23.1 112 116 A W E -dg 45 139A 0 -68,-3.0 -66,-3.3 -2,-0.5 2,-0.7 -0.912 2.1-164.5 -98.4 116.9 30.3 44.1 25.5 113 117 A V E -dg 46 140A 0 26,-3.5 28,-2.3 -2,-0.6 3,-0.4 -0.932 15.3-164.2-101.5 116.8 32.3 43.3 28.6 114 118 A E + 0 0 32 -68,-2.2 -66,-0.4 -2,-0.7 28,-0.1 -0.706 66.2 12.9-104.9 151.2 30.5 40.4 30.2 115 119 A E S > S+ 0 0 78 -2,-0.3 3,-2.0 26,-0.2 -67,-0.3 0.922 78.5 173.3 52.2 45.3 31.0 39.1 33.8 116 120 A A G > + 0 0 0 25,-2.6 3,-1.5 -3,-0.4 26,-0.2 0.598 57.7 82.3 -72.1 -9.7 32.8 42.4 34.3 117 121 A E G 3 S+ 0 0 33 1,-0.3 -1,-0.3 24,-0.2 34,-0.2 0.794 92.0 54.0 -58.6 -26.2 33.2 41.9 38.0 118 122 A A G < S+ 0 0 37 -3,-2.0 2,-0.5 -4,-0.1 -1,-0.3 0.607 84.0 108.8 -82.4 -12.0 36.2 39.7 37.1 119 123 A V < - 0 0 5 -3,-1.5 32,-0.5 -4,-0.2 31,-0.1 -0.556 60.5-146.5 -80.5 121.8 37.7 42.5 35.0 120 124 A T > - 0 0 47 -2,-0.5 4,-2.0 30,-0.1 5,-0.2 -0.148 24.5-104.2 -80.1 172.8 40.8 44.0 36.7 121 125 A K H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.904 120.3 50.3 -64.6 -42.9 42.1 47.6 36.6 122 126 A E H > S+ 0 0 128 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.854 108.7 54.7 -67.4 -33.1 44.9 46.8 34.1 123 127 A S H >> S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 3,-0.5 0.949 108.6 45.7 -62.3 -52.6 42.4 45.1 31.8 124 128 A W H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.869 111.3 55.6 -56.0 -36.3 40.1 48.2 31.7 125 129 A D H 3< S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 113.0 40.5 -72.4 -27.8 43.2 50.3 31.1 126 130 A I H X S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.2 4,-0.9 0.916 104.2 57.2 -66.3 -54.6 40.5 47.8 26.8 128 132 A I H >< S+ 0 0 25 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.867 103.5 51.3 -54.9 -45.3 38.9 51.3 27.1 129 133 A P H 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.737 103.2 62.0 -69.9 -13.5 41.3 53.3 25.0 130 134 A T H << S+ 0 0 15 -3,-1.4 2,-1.8 -4,-0.5 3,-0.3 0.800 88.0 72.1 -76.6 -28.0 41.0 50.8 22.2 131 135 A I << + 0 0 1 -4,-0.9 -1,-0.2 -3,-0.8 -20,-0.1 -0.582 64.3 133.1 -83.1 77.9 37.3 51.5 21.8 132 136 A R + 0 0 151 -2,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.477 18.5 120.0-116.9 -6.9 38.0 54.9 20.2 133 137 A K S > S- 0 0 92 -25,-0.4 3,-1.9 -3,-0.3 2,-0.1 -0.288 78.0 -94.3 -56.2 141.9 35.8 55.2 17.2 134 138 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.426 109.9 11.7 -63.2 140.0 33.5 58.2 17.4 135 139 A F T 3 S+ 0 0 203 1,-0.2 -124,-0.1 -3,-0.1 -2,-0.1 0.504 92.0 147.6 69.5 9.2 30.1 57.2 18.8 136 140 A S < - 0 0 3 -3,-1.9 2,-0.3 -28,-0.1 -1,-0.2 -0.363 34.9-144.1 -71.7 155.4 31.4 53.8 19.9 137 141 A E E - g 0 110A 27 -28,-2.7 -26,-2.3 -3,-0.1 2,-0.5 -0.900 12.2-147.6-127.4 149.9 29.8 52.3 23.0 138 142 A I E -ag 13 111A 0 -126,-3.0 -124,-2.6 -2,-0.3 2,-0.5 -0.974 15.6-166.6-119.6 117.1 30.9 50.2 25.9 139 143 A W E -ag 14 112A 7 -28,-3.5 -26,-3.5 -2,-0.5 2,-0.4 -0.893 7.8-173.1-106.2 130.1 28.3 47.8 27.4 140 144 A V E -ag 15 113A 0 -126,-3.1 -124,-3.3 -2,-0.5 2,-0.4 -0.981 10.4-177.6-130.3 128.2 29.1 46.3 30.7 141 145 A S E +a 16 0A 3 -28,-2.3 -25,-2.6 -2,-0.4 2,-0.3 -0.995 20.7 150.6-123.9 134.7 27.2 43.6 32.6 142 146 A F E -a 17 0A 2 -126,-2.0 -124,-1.9 -2,-0.4 -2,-0.0 -0.991 44.5-132.0-160.2 155.7 28.3 42.4 36.1 143 147 A N - 0 0 50 -2,-0.3 -124,-0.1 -126,-0.2 -126,-0.1 -0.956 47.5-114.2-105.4 111.4 27.2 41.0 39.4 144 148 A P + 0 0 4 0, 0.0 3,-0.1 0, 0.0 57,-0.1 -0.157 39.5 171.4 -52.4 134.8 28.9 43.2 42.1 145 149 A K + 0 0 103 1,-0.4 59,-3.6 58,-0.1 2,-0.4 0.612 66.1 1.6 -99.8 -90.2 31.6 41.4 44.2 146 150 A N B > -h 204 0B 42 57,-0.3 3,-1.6 -29,-0.1 -1,-0.4 -0.841 60.0-134.7-105.1 138.6 33.3 44.0 46.4 147 151 A I T 3 S+ 0 0 50 57,-2.3 10,-0.1 -2,-0.4 58,-0.1 0.745 109.1 53.8 -56.2 -24.7 32.6 47.7 46.4 148 152 A L T 3 S+ 0 0 70 56,-0.3 -1,-0.3 4,-0.1 57,-0.1 0.577 81.3 112.9 -90.7 -11.4 36.3 48.4 46.3 149 153 A D S <> S- 0 0 49 -3,-1.6 4,-2.3 1,-0.1 3,-0.4 -0.318 79.9-116.4 -58.1 145.4 36.8 46.2 43.1 150 154 A D H > S+ 0 0 36 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.881 111.1 56.3 -58.5 -42.3 37.8 48.4 40.2 151 155 A T H > S+ 0 0 2 -32,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.909 111.6 42.3 -58.9 -44.3 34.7 47.6 38.1 152 156 A Y H >>S+ 0 0 30 -3,-0.4 4,-1.7 -6,-0.3 5,-1.5 0.882 116.6 49.2 -69.2 -38.1 32.3 48.8 40.9 153 157 A Q H <>S+ 0 0 43 -4,-2.3 5,-3.1 3,-0.2 -2,-0.2 0.941 111.6 50.1 -60.9 -48.8 34.6 51.8 41.6 154 158 A R H <5S+ 0 0 53 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.797 123.8 23.6 -63.5 -35.9 34.7 52.7 37.9 155 159 A F H <5S+ 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.548 133.0 25.5-115.0 -9.8 31.0 52.7 37.0 156 160 A V T <5S+ 0 0 38 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.722 125.5 33.3-119.4 -48.4 29.1 53.2 40.3 157 161 A V T - 0 0 38 -2,-0.3 3,-2.9 -151,-0.2 4,-0.2 -0.832 53.6 -81.1-132.6-178.2 17.5 41.7 40.1 170 174 A Y G > S+ 0 0 27 29,-0.7 3,-1.4 -150,-0.3 6,-0.2 0.728 124.4 64.6 -58.1 -24.1 15.4 38.6 39.6 171 175 A T G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 -149,-0.1 0.683 97.8 56.4 -71.3 -16.6 12.2 40.4 40.4 172 176 A D G < S+ 0 0 48 -3,-2.9 -1,-0.3 1,-0.1 -169,-0.2 0.389 89.8 90.3 -90.1 2.4 12.9 42.5 37.3 173 177 A N X - 0 0 24 -3,-1.4 3,-1.2 -4,-0.2 -150,-0.1 -0.888 57.0-170.9-104.2 107.3 12.9 39.3 35.3 174 178 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -151,-0.1 0.672 89.2 46.7 -72.6 -18.4 9.4 38.5 34.0 175 179 A H T 3 S+ 0 0 155 -3,-0.1 -152,-0.1 2,-0.0 -5,-0.0 -0.139 74.7 160.1-114.4 35.6 10.6 35.0 32.9 176 180 A F < - 0 0 43 -3,-1.2 2,-0.1 -6,-0.2 -154,-0.1 -0.460 39.0-131.2 -59.9 115.3 12.5 34.1 36.0 177 181 A P >> - 0 0 59 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.384 7.3-120.1 -83.2 153.2 12.6 30.3 35.7 178 182 A E H 3> S+ 0 0 108 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.888 110.1 60.2 -56.5 -46.9 11.7 27.7 38.3 179 183 A V H 3> S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.866 112.3 39.8 -49.1 -42.8 15.2 26.2 38.4 180 184 A L H <> S+ 0 0 34 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.841 113.3 55.4 -76.7 -34.7 16.7 29.6 39.5 181 185 A R H X S+ 0 0 96 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.958 107.1 48.3 -62.3 -52.6 13.7 30.3 41.8 182 186 A L H X S+ 0 0 95 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.929 114.0 47.6 -50.6 -49.6 14.1 27.1 43.8 183 187 A E H X S+ 0 0 76 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.877 113.3 49.0 -61.8 -38.8 17.9 27.8 44.1 184 188 A M H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.933 112.4 46.0 -66.8 -50.4 17.2 31.4 45.2 185 189 A E H X S+ 0 0 60 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.906 112.4 51.7 -59.6 -43.5 14.6 30.5 47.8 186 190 A E H X S+ 0 0 96 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.922 113.2 44.8 -58.4 -46.2 16.8 27.7 49.2 187 191 A C H X S+ 0 0 8 -4,-2.1 4,-2.2 -5,-0.2 8,-0.3 0.906 107.6 58.1 -66.1 -41.9 19.7 30.2 49.4 188 192 A K H < S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.7 40.8 -54.6 -43.1 17.5 32.9 51.0 189 193 A R H < S+ 0 0 215 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.932 116.4 46.4 -70.3 -46.6 16.6 30.5 53.9 190 194 A R H < S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.791 133.5 3.8 -71.9 -29.1 20.0 28.9 54.5 191 195 A N >X - 0 0 29 -4,-2.2 4,-2.3 -5,-0.2 3,-0.6 -0.543 60.3-174.1-163.9 79.7 22.1 32.1 54.5 192 196 A P H 3> S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.809 87.8 53.4 -53.0 -38.9 20.3 35.5 54.1 193 197 A T H 3> S+ 0 0 41 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.897 110.2 46.5 -64.5 -41.4 23.5 37.5 53.9 194 198 A L H <> S+ 0 0 64 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.912 109.2 57.9 -67.0 -38.0 24.8 35.3 51.1 195 199 A Y H X>S+ 0 0 25 -4,-2.3 4,-2.8 -8,-0.3 5,-1.0 0.884 103.5 50.1 -56.8 -45.1 21.4 35.7 49.4 196 200 A R H <5S+ 0 0 98 -4,-1.9 6,-2.6 3,-0.2 4,-0.2 0.827 115.0 45.0 -66.5 -33.0 21.5 39.5 49.3 197 201 A H H <5S+ 0 0 46 -4,-1.3 4,-0.4 4,-0.2 -2,-0.2 0.959 124.2 31.2 -72.1 -55.3 24.9 39.4 47.7 198 202 A I H <5S+ 0 0 62 -4,-2.9 -178,-2.3 -5,-0.1 -2,-0.2 0.949 134.3 25.3 -71.1 -49.1 24.3 36.7 45.2 199 203 A W T <5S+ 0 0 4 -4,-2.8 -29,-0.7 -5,-0.3 -180,-0.3 0.750 128.7 37.8 -95.9 -28.9 20.6 37.2 44.4 200 204 A L S - 0 0 36 189,-0.4 3,-1.7 -2,-0.3 -1,-0.1 -0.407 22.0-120.4 -56.9 147.3 30.0 47.7 57.9 208 212 A D T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.641 117.7 56.1 -67.6 -13.7 29.9 51.2 59.4 209 213 A M T 3 S+ 0 0 43 191,-0.0 191,-2.7 190,-0.0 -1,-0.3 0.395 80.4 121.7 -93.5 -1.7 30.8 49.3 62.7 210 214 A A B < -I 399 0C 26 -3,-1.7 189,-0.2 189,-0.2 3,-0.1 -0.302 48.3-159.9 -63.4 149.9 33.9 47.7 61.1 211 215 A I S S+ 0 0 15 187,-1.8 2,-0.5 184,-0.3 -1,-0.1 0.585 71.7 52.7-107.5 -16.5 37.2 48.6 62.9 212 216 A I S S- 0 0 1 186,-0.5 2,-0.3 183,-0.3 -1,-0.2 -0.978 73.1-146.2-127.8 121.7 39.8 47.9 60.3 213 217 A K >> - 0 0 117 -2,-0.5 4,-1.6 1,-0.1 3,-1.1 -0.658 15.5-132.1 -91.0 141.3 39.6 49.4 56.8 214 218 A R H 3> S+ 0 0 38 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.851 107.0 59.0 -53.1 -42.2 40.8 47.6 53.6 215 219 A E H 3> S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.818 102.9 54.0 -63.4 -26.6 42.8 50.6 52.4 216 220 A W H <> S+ 0 0 33 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.945 108.2 49.5 -68.1 -46.2 44.8 50.4 55.7 217 221 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.894 110.7 49.3 -59.5 -41.6 45.6 46.8 55.0 218 222 A E H < S+ 0 0 98 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.927 113.1 46.5 -66.1 -44.7 46.7 47.6 51.4 219 223 A A H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 111.0 54.6 -60.5 -36.8 48.9 50.4 52.6 220 224 A A H >< S+ 0 0 0 -4,-2.6 3,-1.9 -5,-0.1 158,-1.8 0.734 82.0 102.6 -73.3 -23.6 50.2 48.1 55.3 221 225 A T B 3< S-j 378 0D 16 -4,-1.4 158,-0.2 -3,-0.4 5,-0.1 -0.479 108.6 -12.1 -61.5 119.7 51.3 45.4 52.8 222 226 A D T >> S+ 0 0 26 156,-3.7 4,-2.6 -2,-0.3 3,-0.8 0.737 89.7 147.1 56.6 25.4 55.1 45.8 52.4 223 227 A A H <> + 0 0 0 -3,-1.9 4,-2.9 1,-0.3 5,-0.2 0.848 67.6 59.2 -59.4 -32.3 54.9 49.1 54.3 224 228 A H H 3>>S+ 0 0 21 -4,-0.3 5,-2.5 2,-0.2 4,-0.7 0.848 108.7 44.7 -66.1 -30.9 58.3 48.3 55.8 225 229 A K H <45S+ 0 0 123 -3,-0.8 -2,-0.2 3,-0.2 -1,-0.2 0.885 113.8 50.2 -76.0 -39.7 59.7 48.2 52.2 226 230 A K H <5S+ 0 0 113 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.920 119.7 35.1 -63.2 -42.5 57.8 51.3 51.3 227 231 A L H <5S- 0 0 68 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.459 111.6-115.7 -94.7 -6.2 59.0 53.3 54.3 228 232 A G T <5 + 0 0 68 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.919 65.1 126.4 76.6 48.0 62.5 51.8 54.4 229 233 A W < - 0 0 35 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.964 45.9-131.5-137.6 158.7 62.7 49.9 57.8 230 234 A K - 0 0 172 -2,-0.3 2,-0.3 1,-0.1 27,-0.2 -0.609 33.2 -92.4-104.1 159.4 63.6 46.3 59.0 231 235 A A + 0 0 23 -2,-0.2 2,-0.4 25,-0.1 25,-0.2 -0.566 48.9 172.9 -70.5 126.7 62.0 43.9 61.3 232 236 A K + 0 0 158 -2,-0.3 25,-0.4 23,-0.2 2,-0.3 -0.987 32.6 43.0-139.7 131.2 63.3 44.3 64.9 233 237 A G S S- 0 0 53 -2,-0.4 2,-0.1 23,-0.2 -2,-0.0 -0.915 87.1 -32.2 140.0-163.6 62.0 42.6 68.0 234 238 A A - 0 0 37 -2,-0.3 22,-2.2 21,-0.1 2,-0.6 -0.412 57.9-111.4 -83.1 162.7 60.9 39.2 69.3 235 239 A V E -K 255 0D 14 50,-0.3 52,-2.7 20,-0.2 53,-2.0 -0.889 34.5-169.5 -95.2 124.6 59.0 36.7 67.3 236 240 A V E -Kl 254 288D 2 18,-2.2 18,-2.5 -2,-0.6 2,-0.3 -0.964 5.3-178.6-114.0 130.8 55.4 36.3 68.4 237 241 A S E -Kl 253 289D 0 51,-2.7 53,-2.2 -2,-0.5 2,-0.3 -0.949 3.2-169.7-121.8 150.3 53.2 33.4 67.1 238 242 A A E -Kl 252 290D 0 14,-2.5 14,-2.0 -2,-0.3 2,-0.4 -0.996 7.6-153.6-141.4 151.0 49.6 32.6 67.9 239 243 A H E -Kl 251 291D 0 51,-2.2 53,-1.9 -2,-0.3 12,-0.2 -0.962 4.6-158.5-124.9 130.1 47.2 29.8 67.2 240 244 A D E -K 250 0D 0 10,-2.9 10,-2.5 -2,-0.4 190,-0.1 -0.914 5.2-164.1-108.2 108.3 43.5 29.8 66.9 241 245 A P - 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