==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-FEB-07 2OYR . COMPND 2 MOLECULE: UPF0341 PROTEIN YHIQ; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,H.JANJUA,Y.FANG,R.XIAO, . 246 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 0 2 0 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 X 0 0 89 0, 0.0 25,-2.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 129.2 23.7 57.8 40.9 2 2 A K E +a 26 0A 118 23,-0.2 2,-0.3 25,-0.1 25,-0.2 -0.440 360.0 136.5 -76.2 145.9 22.6 55.9 43.9 3 3 A I E -a 27 0A 0 23,-1.7 25,-1.8 -2,-0.1 2,-0.8 -0.892 58.9 -92.1-178.6 152.9 23.3 52.1 44.3 4 4 A C E -b 34 0B 2 29,-2.4 31,-2.8 -2,-0.3 2,-0.6 -0.698 40.5-153.3 -81.3 112.3 24.4 49.7 47.0 5 5 A L E -b 35 0B 26 -2,-0.8 2,-0.4 29,-0.2 31,-0.2 -0.779 14.5-173.3 -90.7 121.2 28.2 49.5 46.7 6 6 A I E -b 36 0B 47 29,-2.6 31,-2.6 -2,-0.6 2,-0.7 -0.951 14.5-152.3-120.6 133.2 29.6 46.1 47.9 7 7 A D E +b 37 0B 71 -2,-0.4 31,-0.1 29,-0.2 3,-0.1 -0.898 25.7 159.0-106.8 112.1 33.3 45.2 48.3 8 8 A E + 0 0 84 29,-2.8 -1,-0.1 -2,-0.7 28,-0.0 -0.123 53.2 91.4-119.8 35.1 34.0 41.4 48.0 9 9 A T S S- 0 0 39 29,-0.2 -1,-0.1 30,-0.1 29,-0.1 0.699 72.5-147.2-101.4 -23.7 37.7 41.7 47.1 10 10 A G + 0 0 81 -3,-0.1 28,-0.0 1,-0.1 -2,-0.0 0.613 67.5 112.3 65.7 11.6 39.3 41.6 50.5 11 11 A A - 0 0 59 1,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.925 58.0-158.5 -81.9 -47.8 42.0 43.9 49.2 12 12 A G + 0 0 70 1,-0.1 -1,-0.0 0, 0.0 -5,-0.0 0.629 53.1 124.2 77.0 13.9 41.3 47.1 51.2 13 13 A D S S- 0 0 114 1,-0.0 -1,-0.1 4,-0.0 0, 0.0 0.418 83.7-109.5 -86.5 1.0 43.2 49.2 48.5 14 14 A G S > S+ 0 0 26 3,-0.1 4,-2.8 4,-0.0 5,-0.3 0.618 71.2 142.1 82.7 12.9 40.2 51.5 47.9 15 15 A A H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.919 74.3 46.4 -52.9 -48.0 39.4 50.1 44.4 16 16 A L H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 112.4 49.7 -63.3 -40.4 35.7 50.4 45.0 17 17 A S H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 111.9 48.7 -65.5 -40.1 36.0 53.9 46.4 18 18 A V H X S+ 0 0 97 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.908 111.7 50.5 -64.8 -40.1 38.1 55.0 43.4 19 19 A L H X S+ 0 0 26 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.893 109.8 48.7 -64.9 -42.5 35.5 53.4 41.1 20 20 A A H X>S+ 0 0 12 -4,-2.4 5,-2.8 2,-0.2 4,-0.8 0.902 113.4 47.7 -64.5 -42.3 32.6 55.2 42.7 21 21 A A H ><5S+ 0 0 82 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.944 111.1 50.8 -63.5 -48.3 34.5 58.5 42.5 22 22 A R H 3<5S+ 0 0 156 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 121.5 32.7 -57.2 -43.6 35.4 57.9 38.9 23 23 A W H 3<5S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.379 110.0-117.1 -97.1 4.2 31.8 57.1 37.9 24 24 A G T <<5 + 0 0 48 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.883 54.2 165.9 64.2 39.2 30.1 59.5 40.3 25 25 A L < - 0 0 15 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.689 25.6-150.9 -91.3 143.1 28.4 56.7 42.2 26 26 A E E -a 2 0A 105 -25,-2.6 -23,-1.7 -2,-0.3 2,-0.1 -0.947 20.5-120.7-114.1 124.4 26.8 57.2 45.6 27 27 A H E -a 3 0A 88 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.419 28.0-174.1 -65.0 132.0 26.5 54.4 48.1 28 28 A D > - 0 0 41 -25,-1.8 3,-2.4 -2,-0.1 -1,-0.1 -0.858 9.9-163.0-131.9 94.8 22.9 53.7 49.0 29 29 A E T 3 S+ 0 0 110 -2,-0.4 -1,-0.1 1,-0.3 -25,-0.1 0.780 90.4 40.2 -44.6 -42.3 22.7 51.1 51.8 30 30 A D T 3 S+ 0 0 142 -27,-0.1 -1,-0.3 2,-0.0 -26,-0.0 0.162 85.5 137.9 -99.9 19.7 19.0 50.3 51.3 31 31 A N < - 0 0 28 -3,-2.4 16,-0.1 1,-0.1 -28,-0.1 -0.292 57.5-134.3 -66.4 147.7 19.1 50.4 47.5 32 32 A L S S+ 0 0 134 15,-0.1 15,-1.1 14,-0.1 16,-0.5 0.782 91.4 55.3 -71.4 -26.6 17.2 47.7 45.5 33 33 A X E S- C 0 46B 12 13,-0.2 -29,-2.4 14,-0.1 2,-0.4 -0.799 70.3-158.4-109.2 150.3 20.3 47.2 43.3 34 34 A A E -bC 4 45B 1 11,-2.3 11,-2.9 -2,-0.3 2,-0.6 -0.987 10.2-155.4-131.6 139.6 23.9 46.4 44.2 35 35 A L E -bC 5 44B 0 -31,-2.8 -29,-2.6 -2,-0.4 2,-0.5 -0.963 24.4-167.5-112.3 113.4 27.2 46.9 42.4 36 36 A V E -bC 6 43B 0 7,-2.5 7,-2.5 -2,-0.6 2,-0.7 -0.900 18.2-151.2-113.1 127.6 29.7 44.4 43.7 37 37 A L E +bC 7 42B 20 -31,-2.6 -29,-2.8 -2,-0.5 5,-0.2 -0.844 27.9 177.7 -94.8 113.7 33.4 44.3 43.1 38 38 A T - 0 0 19 3,-2.8 -29,-0.2 -2,-0.7 -31,-0.0 -0.597 46.0-101.6-108.4 173.9 34.5 40.7 43.3 39 39 A P S S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -30,-0.1 0.718 123.9 40.8 -68.6 -16.2 38.0 39.1 42.8 40 40 A E S S- 0 0 143 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.806 127.0 -43.5 -99.0 -35.0 36.8 38.1 39.3 41 41 A H - 0 0 27 -5,-0.1 -3,-2.8 91,-0.0 2,-0.5 -0.985 59.8 -76.5-176.9 178.9 34.9 41.2 38.1 42 42 A L E +C 37 0B 0 -2,-0.3 15,-0.4 -5,-0.2 2,-0.3 -0.866 53.2 179.6 -97.8 126.3 32.4 43.9 38.8 43 43 A E E -C 36 0B 25 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.4 -0.861 25.9-128.7-128.9 164.6 28.8 42.7 38.7 44 44 A L E -CD 35 55B 0 11,-2.7 11,-2.3 -2,-0.3 2,-0.3 -0.934 26.3-169.7-112.7 132.2 25.3 44.0 39.2 45 45 A R E -CD 34 54B 66 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.9 -0.914 26.8-138.5-125.9 151.7 22.8 42.3 41.5 46 46 A K E > -C 33 0B 22 7,-0.5 3,-2.9 -2,-0.3 6,-0.2 -0.866 23.4-157.6-105.6 91.9 19.1 42.5 42.2 47 47 A R T 3 S+ 0 0 104 -15,-1.1 -1,-0.1 -2,-0.9 -14,-0.1 0.705 87.3 52.4 -43.2 -34.5 19.2 42.3 46.0 48 48 A D T 3 S+ 0 0 100 -16,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.542 113.5 45.6 -84.6 -6.5 15.6 41.1 46.4 49 49 A E X + 0 0 54 -3,-2.9 3,-1.8 1,-0.1 -3,-0.3 -0.548 58.2 163.0-137.3 71.6 16.1 38.3 43.9 50 50 A P G > S+ 0 0 96 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.788 72.1 72.2 -58.1 -30.8 19.4 36.4 44.6 51 51 A K G 3 S+ 0 0 187 1,-0.3 3,-0.1 -3,-0.1 130,-0.1 0.754 88.5 62.6 -59.0 -23.2 18.3 33.5 42.5 52 52 A L G < S- 0 0 22 -3,-1.8 -1,-0.3 -6,-0.2 133,-0.1 0.683 97.6-155.9 -75.3 -17.0 18.8 35.7 39.5 53 53 A G < - 0 0 35 -3,-2.1 -7,-0.5 -4,-0.3 2,-0.3 -0.188 27.6 -53.6 71.6-168.7 22.5 35.9 40.3 54 54 A G E -D 45 0B 24 -9,-0.1 2,-0.4 -3,-0.1 -9,-0.2 -0.776 44.1-143.3-109.0 154.5 24.8 38.7 39.2 55 55 A I E +D 44 0B 16 -11,-2.3 -11,-2.7 -2,-0.3 2,-0.3 -0.923 23.1 166.2-117.5 143.4 25.4 40.0 35.7 56 56 A F - 0 0 78 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.1 -0.977 39.9-100.9-150.2 157.8 28.7 41.3 34.4 57 57 A V + 0 0 4 68,-0.5 2,-0.4 -15,-0.4 -15,-0.1 -0.726 40.5 173.3 -86.2 122.8 30.2 42.2 31.0 58 58 A D + 0 0 44 -2,-0.5 6,-0.5 3,-0.1 7,-0.2 -0.895 17.1 169.7-137.3 104.8 32.5 39.4 29.6 59 59 A F S S+ 0 0 1 -2,-0.4 -1,-0.1 70,-0.4 71,-0.1 0.684 81.1 55.2 -83.5 -21.4 33.9 39.7 26.1 60 60 A V S S+ 0 0 56 69,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.843 116.4 2.6 -82.7 -38.6 36.2 36.7 26.6 61 61 A G S >> S+ 0 0 21 4,-0.1 4,-1.3 3,-0.0 3,-0.7 -0.473 94.3 41.2-131.5-157.8 33.8 34.0 27.7 62 62 A G H 3> S- 0 0 58 1,-0.2 4,-1.9 2,-0.2 3,-0.3 -0.064 113.7 -12.6 54.4-147.5 30.2 33.0 28.3 63 63 A A H 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.802 134.7 55.4 -56.9 -36.2 27.4 34.1 26.0 64 64 A X H <> S+ 0 0 19 -3,-0.7 4,-1.9 -6,-0.5 -1,-0.2 0.902 109.1 46.2 -68.1 -38.8 29.5 36.7 24.1 65 65 A A H X S+ 0 0 28 -4,-1.3 4,-1.5 -3,-0.3 -2,-0.2 0.854 112.8 50.9 -70.1 -35.6 32.2 34.1 23.2 66 66 A H H X S+ 0 0 120 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.929 110.8 48.0 -67.5 -45.0 29.5 31.6 22.1 67 67 A R H X S+ 0 0 68 -4,-2.4 4,-2.6 1,-0.2 6,-0.4 0.875 108.1 55.8 -63.6 -37.2 27.8 34.2 19.9 68 68 A R H < S+ 0 0 90 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.870 116.5 36.3 -63.3 -37.3 31.2 35.2 18.4 69 69 A K H < S+ 0 0 164 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.2 0.839 135.0 20.8 -85.9 -34.5 31.8 31.6 17.3 70 70 A F H < S+ 0 0 132 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.460 101.4 85.0-113.7 -4.6 28.2 30.5 16.4 71 71 A G S < S- 0 0 30 -4,-2.6 -3,-0.2 -5,-0.4 -4,-0.1 0.796 95.5-118.3 -69.7 -29.8 26.4 33.8 15.8 72 72 A G > - 0 0 50 -5,-0.3 3,-2.5 -4,-0.3 2,-0.3 0.250 27.7-144.1 111.6 -13.7 27.5 34.1 12.2 73 73 A G G > S+ 0 0 23 -6,-0.4 3,-2.6 1,-0.3 6,-0.3 -0.353 90.5 18.2 58.6-114.4 29.5 37.4 12.4 74 74 A R G 3 S+ 0 0 121 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.718 125.0 64.1 -59.8 -18.5 28.9 39.2 9.1 75 75 A G G < S+ 0 0 42 -3,-2.5 -1,-0.3 4,-0.1 -2,-0.2 0.535 78.8 112.0 -83.2 -6.2 25.9 36.9 8.8 76 76 A E S <> S- 0 0 25 -3,-2.6 4,-2.1 1,-0.1 5,-0.2 -0.322 77.4-121.2 -67.0 151.0 24.3 38.4 11.9 77 77 A A H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.884 114.9 48.3 -59.2 -41.2 21.1 40.4 11.4 78 78 A V H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 109.7 53.3 -69.1 -34.2 22.6 43.5 13.0 79 79 A A H 4>S+ 0 0 0 -6,-0.3 5,-1.7 1,-0.2 4,-0.4 0.871 110.4 46.2 -68.1 -37.5 25.7 43.1 10.8 80 80 A K H ><5S+ 0 0 121 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.851 109.8 55.7 -73.9 -31.4 23.7 43.0 7.7 81 81 A A H 3<5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 103.5 52.9 -65.9 -42.6 21.6 46.0 8.9 82 82 A V T 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.644 122.4-108.1 -68.8 -12.7 24.7 48.2 9.4 83 83 A G T < 5 + 0 0 12 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.1 0.486 55.1 168.3 101.5 3.3 25.6 47.4 5.8 84 84 A I < + 0 0 11 -5,-1.7 2,-0.3 5,-0.1 -1,-0.2 -0.302 14.1 152.2 -54.0 124.4 28.6 45.0 6.3 85 85 A K B > -E 88 0C 159 3,-1.3 3,-2.6 -2,-0.0 2,-0.1 -0.918 56.2 -35.3-159.9 130.1 29.3 43.4 2.9 86 86 A G T 3 S- 0 0 47 -2,-0.3 -12,-0.0 1,-0.3 -1,-0.0 -0.356 126.9 -18.5 58.0-127.3 32.4 42.0 1.3 87 87 A D T 3 S+ 0 0 168 -2,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.240 107.0 115.9 -95.5 12.1 35.4 44.1 2.4 88 88 A Y B < +E 85 0C 82 -3,-2.6 -3,-1.3 -5,-0.1 23,-0.1 -0.755 33.1 165.8 -86.0 109.5 33.2 47.0 3.5 89 89 A L - 0 0 65 -2,-0.8 23,-0.3 -5,-0.2 3,-0.1 -0.797 23.2-153.9-126.6 85.8 33.6 47.4 7.3 90 90 A P - 0 0 1 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.153 21.0-109.4 -61.9 149.3 32.1 50.8 8.3 91 91 A D - 0 0 23 20,-0.2 76,-1.8 73,-0.1 75,-1.2 -0.656 45.0-159.6 -75.7 135.0 33.2 52.8 11.3 92 92 A V E -fg 113 167D 0 20,-2.8 22,-2.2 -2,-0.3 2,-0.5 -0.929 21.1-157.2-124.5 147.8 30.3 52.6 13.7 93 93 A V E -fg 114 168D 0 74,-1.7 76,-2.7 -2,-0.4 2,-1.0 -0.989 10.3-156.0-121.2 117.0 29.1 54.6 16.7 94 94 A D E > -fg 115 169D 0 20,-2.6 22,-3.0 -2,-0.5 3,-0.6 -0.848 9.4-172.7 -94.0 99.7 26.9 52.7 19.1 95 95 A A T 3 S+ 0 0 2 74,-1.6 59,-0.5 -2,-1.0 -1,-0.1 0.538 80.2 41.2 -73.3 -7.3 25.0 55.5 20.7 96 96 A T T 3 S+ 0 0 0 73,-0.5 -1,-0.3 1,-0.1 21,-0.2 -0.457 70.3 172.6-139.7 61.4 23.3 53.2 23.3 97 97 A A X + 0 0 0 19,-2.6 3,-2.6 -3,-0.6 4,-0.3 0.792 11.4 158.7 -40.3 -54.1 26.1 50.7 24.4 98 98 A G T 3 S- 0 0 0 1,-0.3 -1,-0.2 18,-0.2 28,-0.1 -0.402 81.4 -12.1 61.0-125.2 24.2 49.0 27.2 99 99 A L T 3 S- 0 0 25 149,-1.0 -1,-0.3 -2,-0.2 -2,-0.1 0.498 92.7-123.6 -85.2 -3.3 26.0 45.6 27.8 100 100 A G <> + 0 0 0 -3,-2.6 4,-2.4 -4,-0.2 5,-0.2 0.685 68.0 135.8 70.8 19.6 27.9 46.1 24.5 101 101 A R H > S+ 0 0 92 147,-0.6 4,-1.5 -4,-0.3 -3,-0.1 0.946 76.1 37.6 -64.5 -50.4 26.6 42.8 23.0 102 102 A D H > S+ 0 0 4 -5,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 115.7 55.5 -68.3 -39.0 25.8 44.2 19.6 103 103 A A H > S+ 0 0 0 -6,-0.3 4,-2.4 1,-0.2 5,-0.2 0.922 106.2 51.0 -58.1 -46.2 28.9 46.5 19.7 104 104 A F H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.880 107.6 52.9 -60.2 -41.1 31.1 43.5 20.3 105 105 A V H X S+ 0 0 7 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.958 110.7 46.5 -59.7 -52.0 29.7 41.6 17.4 106 106 A L H X>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-1.3 0.908 114.4 47.2 -58.0 -43.9 30.3 44.4 15.0 107 107 A A H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 109.3 55.4 -66.8 -33.4 33.9 44.9 16.3 108 108 A S H <5S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 103.5 54.3 -69.1 -30.8 34.5 41.2 16.1 109 109 A V H <5S- 0 0 28 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.858 133.6 -87.1 -72.6 -33.9 33.6 41.1 12.4 110 110 A G T <5S+ 0 0 17 -4,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.366 82.3 133.5 143.1 -0.6 36.1 43.8 11.7 111 111 A C < - 0 0 0 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.2 -0.391 55.9-125.1 -76.9 152.5 34.4 47.2 12.3 112 112 A R - 0 0 146 -22,-0.4 -20,-2.8 -23,-0.3 2,-0.4 -0.889 38.6-168.1 -96.1 117.4 35.9 50.0 14.4 113 113 A V E -fh 92 147D 2 33,-3.2 35,-2.1 -2,-0.7 2,-0.5 -0.924 21.3-165.1-118.2 137.7 33.3 50.8 17.0 114 114 A R E -fh 93 148D 33 -22,-2.2 -20,-2.6 -2,-0.4 2,-0.4 -0.977 18.0-153.2-116.1 121.0 32.9 53.7 19.5 115 115 A X E -fh 94 149D 0 33,-3.7 35,-3.6 -2,-0.5 2,-0.4 -0.816 5.5-161.4-100.8 133.9 30.4 53.0 22.3 116 116 A L E + h 0 150D 1 -22,-3.0 -19,-2.6 -2,-0.4 2,-0.3 -0.911 14.1 170.2-111.5 138.2 28.5 55.7 24.1 117 117 A E E - h 0 151D 1 33,-1.8 35,-0.6 -2,-0.4 -21,-0.1 -0.939 16.6-179.0-150.0 125.1 26.9 55.1 27.5 118 118 A R + 0 0 74 -2,-0.3 35,-0.1 33,-0.2 -1,-0.1 0.647 59.5 94.0 -98.5 -19.9 25.4 57.7 29.8 119 119 A N > - 0 0 25 1,-0.2 4,-3.0 33,-0.1 5,-0.2 -0.673 66.3-150.7 -77.0 116.0 24.3 55.5 32.7 120 120 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.845 94.4 48.6 -55.3 -38.8 27.2 55.6 35.2 121 121 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 113.5 46.3 -68.9 -45.8 26.5 52.1 36.6 122 122 A V H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 113.1 50.2 -60.1 -46.4 26.3 50.6 33.1 123 123 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.872 108.5 52.5 -59.7 -39.4 29.4 52.4 32.0 124 124 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.920 111.0 47.7 -63.3 -42.8 31.2 51.1 35.1 125 125 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -68,-0.5 0.859 114.2 46.3 -65.5 -38.8 30.2 47.5 34.2 126 126 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.905 109.8 53.5 -70.6 -42.8 31.3 48.0 30.6 127 127 A D H X S+ 0 0 51 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.870 108.8 49.8 -61.0 -36.7 34.6 49.6 31.6 128 128 A D H X S+ 0 0 34 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.899 112.4 47.2 -69.3 -40.3 35.4 46.6 33.9 129 129 A G H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -70,-0.4 0.882 111.6 51.3 -67.7 -36.3 34.6 44.1 31.0 130 130 A L H X S+ 0 0 2 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.885 106.8 53.6 -67.3 -38.8 36.7 46.2 28.7 131 131 A A H X S+ 0 0 56 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.916 113.3 42.8 -62.7 -42.2 39.6 46.1 31.1 132 132 A R H X S+ 0 0 60 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.879 115.4 51.2 -71.0 -35.7 39.4 42.3 31.2 133 133 A G H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.949 107.8 49.4 -65.9 -49.7 38.9 42.2 27.5 134 134 A Y H 3< S+ 0 0 66 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.2 55.7 -59.0 -30.2 41.9 44.3 26.6 135 135 A A H 3< S+ 0 0 81 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.666 80.4 111.4 -77.0 -18.2 44.0 42.1 28.9 136 136 A D S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.555 102.2 92.4 -94.9 -8.6 41.3 39.2 21.6 140 140 A G H X S+ 0 0 3 -4,-1.6 4,-1.9 1,-0.2 5,-0.2 0.851 82.1 56.4 -53.4 -41.7 42.9 41.9 23.7 141 141 A G H > S+ 0 0 56 -5,-0.3 4,-0.8 -3,-0.2 -1,-0.2 0.978 117.2 29.4 -57.2 -63.3 45.0 43.2 20.8 142 142 A W H > S+ 0 0 52 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.786 114.6 63.7 -71.6 -25.5 42.2 43.9 18.3 143 143 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.926 102.2 49.2 -62.9 -44.9 39.6 44.6 20.9 144 144 A Q H < S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.785 116.0 45.0 -65.0 -27.3 41.5 47.7 22.2 145 145 A E H < S+ 0 0 143 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.848 122.8 31.8 -86.6 -34.3 41.8 48.9 18.6 146 146 A R H < S+ 0 0 49 -4,-2.7 -33,-3.2 1,-0.2 2,-0.4 0.442 114.8 53.7-105.9 0.7 38.2 48.3 17.5 147 147 A L E < +h 113 0D 0 -4,-1.9 2,-0.4 -5,-0.2 -33,-0.2 -0.864 58.5 164.5-141.4 107.1 36.1 48.8 20.6 148 148 A Q E -h 114 0D 105 -35,-2.1 -33,-3.7 -2,-0.4 2,-0.4 -0.919 25.4-138.2-121.9 147.3 36.3 52.0 22.7 149 149 A L E -h 115 0D 33 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.874 13.1-169.5-107.2 134.6 33.9 53.3 25.4 150 150 A I E -h 116 0D 58 -35,-3.6 -33,-1.8 -2,-0.4 2,-1.1 -0.987 17.3-142.3-123.8 124.6 32.9 56.9 25.7 151 151 A H E +h 117 0D 89 -2,-0.5 2,-0.3 -35,-0.2 -33,-0.2 -0.755 60.0 96.9 -88.1 100.5 31.0 58.0 28.8 152 152 A A S S- 0 0 31 -2,-1.1 2,-0.6 -35,-0.6 -33,-0.1 -0.980 75.1 -90.0-169.6 172.5 28.5 60.6 27.4 153 153 A S >> - 0 0 31 -2,-0.3 4,-2.3 1,-0.1 3,-2.0 -0.883 21.6-151.5-102.3 119.8 25.0 61.2 26.2 154 154 A S H 3> S+ 0 0 7 -2,-0.6 4,-1.0 -59,-0.5 5,-0.2 0.675 90.9 76.2 -59.9 -19.0 24.4 60.7 22.5 155 155 A L H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.786 120.0 8.1 -63.8 -27.1 21.6 63.3 22.7 156 156 A T H <4 S+ 0 0 112 -3,-2.0 4,-0.3 2,-0.1 -2,-0.2 0.451 126.7 59.6-131.4 -9.6 24.3 66.0 22.8 157 157 A A H < S+ 0 0 26 -4,-2.3 3,-0.3 2,-0.1 -3,-0.2 0.689 87.6 73.7 -96.3 -19.8 27.6 64.3 22.2 158 158 A L S >< S+ 0 0 0 -4,-1.0 3,-1.6 -5,-0.3 -1,-0.1 0.869 86.7 64.0 -60.9 -39.1 26.8 62.8 18.7 159 159 A T T 3 S+ 0 0 97 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.889 105.7 41.3 -53.5 -48.7 27.1 66.2 17.0 160 160 A D T 3 S+ 0 0 136 -4,-0.3 2,-0.5 -3,-0.3 -1,-0.3 -0.020 81.9 134.6 -93.5 30.7 30.8 66.8 17.7 161 161 A I < - 0 0 24 -3,-1.6 -3,-0.0 4,-0.0 -4,-0.0 -0.702 45.3-140.5 -83.4 125.3 31.9 63.2 17.0 162 162 A T S S+ 0 0 120 -2,-0.5 2,-0.1 1,-0.2 -2,-0.0 -0.998 77.8 32.5-144.1 135.6 35.0 63.1 14.8 163 163 A P S S- 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.538 98.5-120.6 -73.2 153.1 35.9 61.4 12.6 164 164 A R - 0 0 83 -2,-0.1 2,-0.1 1,-0.1 -73,-0.1 -0.366 25.2-131.3 -62.9 133.7 32.3 61.0 11.4 165 165 A P - 0 0 0 0, 0.0 43,-1.6 0, 0.0 44,-0.3 -0.483 7.3-132.1 -83.8 158.6 31.2 57.3 11.4 166 166 A Q S S+ 0 0 48 -75,-1.2 44,-2.8 41,-0.2 43,-2.1 0.809 91.7 29.4 -77.3 -28.7 29.5 55.7 8.3 167 167 A V E -gi 92 210D 0 -76,-1.8 -74,-1.7 42,-0.2 2,-0.5 -0.969 60.9-158.8-135.4 146.8 26.9 54.3 10.6 168 168 A V E -gi 93 211D 0 42,-1.8 44,-2.5 -2,-0.3 2,-0.5 -0.994 16.2-152.7-122.8 128.1 25.2 55.0 13.9 169 169 A Y E -gi 94 212D 0 -76,-2.7 -74,-1.6 -2,-0.5 -73,-0.5 -0.886 10.5-168.9-105.1 129.1 23.5 52.2 15.8 170 170 A L E + i 0 213D 0 42,-3.3 44,-2.7 -2,-0.5 -76,-0.0 -0.962 24.4 149.8-124.3 123.4 20.6 52.9 18.1 171 171 A D + 0 0 23 -2,-0.5 3,-0.1 42,-0.2 42,-0.1 -0.394 20.3 174.6-144.3 60.3 19.0 50.5 20.6 172 172 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -76,-0.1 -0.289 49.5 -83.8 -66.6 156.4 17.6 52.6 23.5 173 173 A X - 0 0 16 18,-0.2 20,-2.4 1,-0.0 23,-0.2 -0.491 49.9-147.5 -65.7 117.9 15.7 50.8 26.2 174 174 A F - 0 0 44 -2,-0.4 2,-2.2 18,-0.2 20,-0.1 -0.551 26.7-100.7 -85.4 150.1 12.1 50.5 24.8 175 175 A P - 0 0 50 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.480 48.9-164.2 -72.8 76.4 9.1 50.6 27.2 176 176 A H + 0 0 93 -2,-2.2 -3,-0.0 1,-0.2 0, 0.0 -0.433 24.7 165.8 -67.1 129.8 8.5 46.8 27.2 177 177 A K 0 0 171 -2,-0.2 -1,-0.2 1,-0.0 0, 0.0 0.712 360.0 360.0-111.0 -38.7 5.1 45.7 28.6 178 178 A Q 0 0 224 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.528 360.0 360.0 -59.6 360.0 5.0 42.1 27.4 179 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 180 184 A K > 0 0 173 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 170.9 16.0 35.5 31.1 181 185 A K H > + 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 360.0 56.7 -50.7 -50.6 17.6 36.2 34.5 182 186 A E H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 108.9 44.9 -48.4 -57.1 20.2 38.5 32.9 183 187 A X H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.861 109.3 56.5 -59.3 -37.6 17.6 40.7 31.3 184 188 A R H X S+ 0 0 120 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.913 111.4 43.2 -62.5 -41.1 15.5 40.9 34.5 185 189 A V H >X S+ 0 0 0 -4,-2.3 4,-0.7 -3,-0.2 3,-0.6 0.958 116.6 46.2 -68.2 -50.3 18.5 42.2 36.4 186 190 A F H >X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 3,-0.9 0.893 112.5 50.0 -59.8 -41.7 19.6 44.6 33.7 187 191 A Q H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.696 100.6 64.0 -72.0 -18.9 16.1 46.0 33.2 188 192 A S H << S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.715 114.5 34.1 -74.7 -20.7 15.7 46.5 37.0 189 193 A L H << S+ 0 0 23 -3,-0.9 2,-0.9 -4,-0.7 -2,-0.2 0.859 118.3 52.2 -94.9 -51.7 18.5 49.0 36.6 190 194 A V S < S- 0 0 5 -4,-2.9 -1,-0.2 -5,-0.1 3,-0.1 -0.774 70.9-176.4 -95.6 103.3 17.8 50.4 33.2 191 195 A G - 0 0 37 -2,-0.9 -18,-0.2 1,-0.2 -3,-0.1 -0.151 47.2 -50.3 -84.9-174.8 14.3 51.6 32.7 192 196 A P - 0 0 64 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 -0.279 54.7-122.0 -56.0 137.7 12.7 53.0 29.5 193 197 A D > - 0 0 21 -20,-2.4 3,-1.8 1,-0.2 4,-0.2 -0.747 26.9-165.2 -86.5 97.8 14.8 55.8 28.0 194 198 A L T 3 S+ 0 0 162 -2,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.693 83.4 45.0 -55.7 -28.6 12.1 58.5 28.0 195 199 A D T > S+ 0 0 69 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.035 76.2 116.0-106.5 24.0 14.0 60.8 25.6 196 200 A A G X + 0 0 9 -3,-1.8 3,-2.6 1,-0.3 4,-0.4 0.869 63.6 67.1 -62.9 -38.3 15.0 58.1 23.1 197 201 A D G > S+ 0 0 91 1,-0.3 3,-0.6 -3,-0.2 4,-0.4 0.734 91.0 67.5 -55.7 -20.3 12.9 59.6 20.2 198 202 A G G < S+ 0 0 39 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.489 85.3 71.6 -79.9 -1.8 15.4 62.5 20.3 199 203 A L G <> S+ 0 0 5 -3,-2.6 4,-2.0 2,-0.1 -1,-0.2 0.778 81.3 68.8 -83.9 -28.6 18.2 60.3 19.1 200 204 A L H <> S+ 0 0 4 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 0.938 97.1 50.8 -57.5 -51.9 17.1 59.8 15.5 201 205 A E H > S+ 0 0 132 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.943 115.5 39.5 -53.0 -58.5 17.7 63.4 14.3 202 206 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.844 114.3 56.7 -64.7 -29.1 21.3 63.8 15.6 203 207 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 106.1 47.6 -67.0 -44.9 22.1 60.2 14.5 204 208 A R H < S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.1 0.728 111.9 51.8 -69.5 -20.6 21.1 60.8 10.9 205 209 A L H < S+ 0 0 98 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.838 113.4 43.2 -82.8 -34.4 23.1 64.0 10.8 206 210 A L H < S+ 0 0 7 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.930 99.4 77.7 -76.1 -48.7 26.3 62.4 12.2 207 211 A A < - 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