==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-OCT-03 1R4V . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AQ_328; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR Y.QIU,V.TERESHKO,Y.KIM,R.ZHANG,F.COLLART,A.JOACHIMIAK,A.KOSS . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 1 0 0 1 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 21 A E 0 0 158 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.9 6.6 33.0 -2.0 2 22 A T > - 0 0 105 0, 0.0 3,-1.0 0, 0.0 0, 0.0 -0.581 360.0 -84.4-121.8-172.4 9.0 35.1 0.1 3 23 A X T 3 S+ 0 0 159 1,-0.2 4,-0.0 -2,-0.2 0, 0.0 0.557 119.7 70.9 -72.8 -9.2 10.7 34.7 3.5 4 24 A L T 3 + 0 0 150 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.659 64.7 114.4 -80.1 -19.4 7.5 35.9 5.2 5 25 A R S < S- 0 0 18 -3,-1.0 5,-0.1 1,-0.1 3,-0.1 -0.328 91.1 -86.9 -49.8 131.9 5.6 32.7 4.4 6 26 A P >> - 0 0 45 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.083 55.9 -94.4 -47.5 140.5 4.9 31.2 7.8 7 27 A K T 34 S+ 0 0 106 1,-0.2 85,-0.1 2,-0.1 -3,-0.0 -0.284 108.6 25.6 -64.2 144.4 7.9 29.0 8.8 8 28 A G T 3> S+ 0 0 0 -3,-0.1 4,-2.4 80,-0.1 -1,-0.2 -0.142 96.8 91.1 93.0 -34.0 7.5 25.3 8.0 9 29 A F H <> S+ 0 0 2 -3,-1.4 4,-3.8 1,-0.2 5,-0.3 0.948 85.0 54.2 -59.3 -55.3 5.1 25.8 5.1 10 30 A D H X S+ 0 0 53 -4,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.918 113.7 40.0 -32.2 -63.1 8.0 26.0 2.7 11 31 A K H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.799 116.8 48.6 -70.4 -33.5 9.4 22.6 3.9 12 32 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.939 112.3 49.5 -69.4 -48.6 6.1 20.9 4.2 13 33 A D H X S+ 0 0 18 -4,-3.8 4,-2.2 1,-0.2 5,-0.2 0.955 113.5 46.9 -52.1 -56.0 5.1 22.1 0.7 14 34 A H H X S+ 0 0 91 -4,-2.7 4,-2.1 -5,-0.3 5,-0.3 0.895 114.5 46.0 -57.9 -44.9 8.3 20.9 -0.7 15 35 A Y H X>S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 5,-1.0 0.903 111.9 49.9 -67.2 -43.8 8.1 17.4 1.1 16 36 A F H X5S+ 0 0 0 -4,-3.1 6,-2.5 3,-0.2 4,-0.7 0.911 116.4 42.8 -60.2 -39.4 4.4 16.8 0.1 17 37 A R H X5S+ 0 0 90 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.985 122.9 34.6 -71.0 -55.9 5.1 17.6 -3.6 18 38 A T H <5S+ 0 0 62 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.858 132.8 23.8 -73.7 -38.7 8.4 15.8 -4.0 19 39 A E H <5S+ 0 0 109 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.768 132.8 29.9-100.9 -29.0 7.9 12.7 -1.7 20 40 A L H < - 0 0 40 -2,-0.2 4,-2.7 110,-0.1 5,-0.2 -0.786 41.6 -98.3-119.2 169.2 -1.1 25.8 -1.5 26 46 A D H > S+ 0 0 64 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.907 125.6 53.0 -53.1 -45.1 -1.1 28.2 1.5 27 47 A E H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 113.1 40.8 -57.3 -47.2 -4.9 27.8 1.6 28 48 A T H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.777 110.6 57.6 -78.7 -27.2 -4.8 24.0 1.7 29 49 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.910 106.4 50.9 -62.1 -43.5 -1.9 23.9 4.1 30 50 A E H X S+ 0 0 59 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.907 111.7 46.3 -59.3 -43.8 -4.0 25.9 6.6 31 51 A L H X S+ 0 0 48 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.914 112.9 50.3 -63.9 -43.0 -6.9 23.5 6.2 32 52 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.935 112.2 46.7 -59.7 -50.4 -4.5 20.5 6.6 33 53 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.839 109.1 53.7 -64.7 -34.2 -3.0 22.0 9.8 34 54 A N H X S+ 0 0 92 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.890 111.2 47.2 -66.8 -36.2 -6.4 22.9 11.3 35 55 A S H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.887 111.5 50.1 -69.9 -41.4 -7.4 19.2 10.8 36 56 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.942 111.9 48.5 -59.7 -46.4 -4.1 18.0 12.3 37 57 A K H X S+ 0 0 82 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.892 111.6 49.5 -62.9 -44.4 -4.6 20.3 15.3 38 58 A A H X S+ 0 0 58 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.937 112.5 46.8 -56.2 -50.0 -8.2 19.1 15.7 39 59 A A H X S+ 0 0 3 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.895 108.8 55.7 -59.9 -42.2 -7.2 15.4 15.5 40 60 A F H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 4,-0.4 0.909 106.7 50.5 -59.0 -45.5 -4.3 16.1 18.1 41 61 A G H >< S+ 0 0 14 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.883 105.1 57.8 -59.8 -40.7 -6.9 17.5 20.5 42 62 A K H >< S+ 0 0 64 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.750 91.0 70.8 -62.5 -24.1 -9.0 14.3 20.0 43 63 A L T << S+ 0 0 0 -4,-1.2 22,-3.3 -3,-0.6 -1,-0.3 0.719 88.3 64.9 -66.1 -18.2 -6.1 12.2 21.1 44 64 A F T X> S+ 0 0 9 -3,-1.6 3,-1.8 -4,-0.4 4,-0.5 0.440 70.9 124.7 -84.6 -0.2 -6.7 13.6 24.6 45 65 A Y T <4 S+ 0 0 174 -3,-1.7 54,-0.0 1,-0.3 -3,-0.0 -0.436 88.4 1.5 -57.9 124.9 -10.2 11.9 24.8 46 66 A G T 3> S+ 0 0 28 -2,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.313 99.7 119.1 77.6 -4.7 -10.1 9.7 28.0 47 67 A A H <> + 0 0 0 -3,-1.8 4,-2.5 1,-0.2 13,-0.2 0.861 69.6 49.3 -67.6 -42.5 -6.6 10.9 28.9 48 68 A E H X S+ 0 0 49 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.915 113.4 48.7 -61.6 -40.7 -7.3 12.6 32.3 49 69 A Q H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.7 47.6 -63.8 -45.2 -9.2 9.5 33.4 50 70 A R H X S+ 0 0 69 -4,-2.2 4,-1.2 13,-0.2 -1,-0.2 0.907 112.5 50.8 -63.1 -43.0 -6.5 7.1 32.4 51 71 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.7 0.942 110.8 48.4 -60.2 -46.9 -3.9 9.3 34.1 52 72 A R H ><5S+ 0 0 131 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.881 107.0 54.9 -61.4 -39.9 -6.0 9.4 37.3 53 73 A W H 3<5S+ 0 0 191 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.756 107.2 53.0 -65.5 -24.3 -6.4 5.6 37.3 54 74 A N T <<5S- 0 0 100 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.337 119.2-112.1 -88.1 1.2 -2.6 5.4 37.1 55 75 A G T < 5S+ 0 0 74 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.558 72.1 139.5 82.6 9.0 -2.2 7.6 40.2 56 76 A R < - 0 0 63 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.625 49.7-158.8 -87.3 156.3 -0.7 10.4 38.0 57 77 A D S S+ 0 0 134 -2,-0.3 45,-0.6 -3,-0.1 2,-0.3 0.103 80.7 49.7-116.1 20.2 -1.2 14.1 38.2 58 78 A F E S-a 102 0A 80 43,-0.1 2,-0.5 -7,-0.1 45,-0.2 -0.959 90.2-100.9-149.1 158.0 -0.1 14.7 34.6 59 79 A I E -a 103 0A 0 43,-2.4 45,-2.4 -2,-0.3 48,-0.3 -0.784 37.2-167.1 -88.7 128.7 -0.9 13.2 31.2 60 80 A A > - 0 0 20 -2,-0.5 3,-1.6 -13,-0.2 4,-0.4 -0.655 37.7-104.2-103.9 164.9 1.6 10.6 29.9 61 81 A L G > S+ 0 0 80 1,-0.3 3,-1.8 -2,-0.2 5,-0.3 0.879 120.6 61.5 -54.1 -42.4 1.9 9.2 26.4 62 82 A A G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.636 99.3 57.9 -58.6 -21.8 0.4 5.9 27.7 63 83 A D G < S+ 0 0 1 -3,-1.6 -1,-0.3 2,-0.0 -13,-0.2 0.507 85.9 103.0 -86.8 -12.5 -2.8 7.9 28.6 64 84 A L S < S- 0 0 13 -3,-1.8 2,-0.4 -4,-0.4 -20,-0.2 -0.346 80.2-118.0 -76.9 159.7 -3.5 9.2 25.1 65 85 A N + 0 0 47 -22,-3.3 2,-0.4 -23,-0.1 -21,-0.1 -0.165 58.2 150.1 -86.2 38.8 -6.2 7.8 22.7 66 86 A I - 0 0 30 -2,-0.4 2,-0.2 -5,-0.3 85,-0.0 -0.652 31.8-151.9 -80.1 127.1 -3.6 6.8 20.1 67 87 A T > - 0 0 71 -2,-0.4 4,-2.5 1,-0.1 5,-0.1 -0.476 29.2-103.2 -88.5 164.4 -4.7 3.7 17.9 68 88 A K H > S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.824 120.6 56.9 -55.7 -39.8 -2.5 1.1 16.2 69 89 A A H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.935 110.6 42.1 -62.4 -48.2 -3.1 2.8 12.9 70 90 A L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.888 108.7 59.8 -65.4 -39.9 -1.7 6.1 14.1 71 91 A E H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.869 104.1 52.1 -52.0 -40.2 1.2 4.4 15.9 72 92 A E H X S+ 0 0 124 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.921 109.7 47.5 -64.3 -46.5 2.2 3.0 12.5 73 93 A H H X S+ 0 0 39 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.883 111.4 51.6 -59.0 -40.5 2.2 6.5 11.0 74 94 A I H X S+ 0 0 17 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.932 111.0 47.6 -63.7 -46.9 4.2 7.9 13.9 75 95 A K H X S+ 0 0 122 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.901 111.5 50.1 -59.5 -43.4 6.8 5.1 13.5 76 96 A N H < S+ 0 0 52 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.876 108.7 53.9 -62.7 -39.0 7.0 5.7 9.8 77 97 A F H >< S+ 0 0 14 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.893 101.9 57.6 -60.9 -42.2 7.5 9.5 10.5 78 98 A Q H 3< S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.0 56.1 -64.2 -24.4 10.4 8.8 12.9 79 99 A K T 3< S+ 0 0 155 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.3 0.461 83.2 105.8 -87.8 3.0 12.3 7.0 10.1 80 100 A I < - 0 0 44 -3,-1.8 -3,-0.0 -4,-0.2 -4,-0.0 -0.689 49.1-170.3 -83.5 128.6 12.1 10.1 7.7 81 101 A E + 0 0 195 -2,-0.4 -1,-0.1 2,-0.1 2,-0.1 0.856 58.8 88.6 -86.8 -38.9 15.4 11.9 7.4 82 102 A Q S S- 0 0 76 1,-0.1 2,-0.6 2,-0.0 -2,-0.0 -0.334 81.3-121.2 -63.6 138.7 14.2 15.0 5.5 83 103 A D - 0 0 71 1,-0.1 -1,-0.1 2,-0.1 -68,-0.1 -0.742 28.7-179.8 -80.2 117.4 13.0 17.9 7.5 84 104 A X - 0 0 3 -2,-0.6 -1,-0.1 -70,-0.1 -68,-0.1 0.199 57.0 -97.2-104.9 15.5 9.3 18.6 6.5 85 105 A G S > S+ 0 0 0 -74,-0.2 4,-3.0 -73,-0.1 3,-0.4 0.569 75.6 143.7 90.9 13.1 8.9 21.6 8.9 86 106 A V H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 70.7 51.3 -58.6 -40.3 7.3 19.7 11.8 87 107 A D H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.892 116.1 41.0 -63.5 -39.7 9.0 21.7 14.6 88 108 A E H > S+ 0 0 49 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.864 114.4 52.5 -73.8 -36.9 8.0 25.0 13.0 89 109 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.869 104.2 57.2 -69.8 -33.5 4.5 23.7 12.2 90 110 A L H X>S+ 0 0 36 -4,-2.6 4,-0.8 -5,-0.3 5,-0.7 0.942 110.1 43.7 -60.0 -48.1 4.0 22.6 15.8 91 111 A E H ><5S+ 0 0 169 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.900 111.0 57.0 -63.9 -40.7 4.7 26.2 17.0 92 112 A Y H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 102.2 52.4 -57.7 -45.3 2.5 27.6 14.3 93 113 A I H 3<5S- 0 0 7 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.711 92.9-147.1 -70.1 -16.2 -0.6 25.6 15.3 94 114 A A T <<5 - 0 0 62 -4,-0.8 2,-0.1 -3,-0.7 -3,-0.1 0.948 22.5-152.9 51.9 57.6 -0.3 26.9 18.9 95 115 A F < - 0 0 31 -5,-0.7 -1,-0.2 1,-0.0 -2,-0.0 -0.399 22.9-179.3 -71.5 133.0 -1.7 23.6 20.2 96 116 A I - 0 0 143 -2,-0.1 -1,-0.0 -59,-0.1 -55,-0.0 -0.964 25.4-134.8-128.8 108.7 -3.6 23.7 23.5 97 117 A P - 0 0 23 0, 0.0 2,-2.0 0, 0.0 -56,-0.1 -0.404 21.5-116.7 -66.2 145.7 -4.9 20.2 24.6 98 118 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -57,-0.0 -0.349 80.4 100.1 -80.6 58.9 -8.5 20.2 25.9 99 119 A V - 0 0 24 -2,-2.0 4,-0.1 2,-0.1 -54,-0.0 -0.917 64.7-144.7-137.1 158.8 -7.6 19.1 29.4 100 120 A E S S+ 0 0 181 -2,-0.3 -1,-0.1 2,-0.1 2,-0.0 0.717 75.3 90.5 -93.7 -28.9 -7.1 20.8 32.7 101 121 A X S S- 0 0 31 1,-0.1 -43,-0.1 -43,-0.0 -2,-0.1 -0.285 88.3 -93.1 -70.1 155.3 -4.3 18.6 33.9 102 122 A N E -a 58 0A 106 -45,-0.6 -43,-2.4 1,-0.1 2,-0.6 -0.287 32.9-133.8 -55.5 138.5 -0.6 19.1 33.4 103 123 A V E -a 59 0A 17 -45,-0.2 -43,-0.1 -4,-0.1 -1,-0.1 -0.917 31.5-114.1 -97.5 126.1 0.8 17.4 30.3 104 124 A G > - 0 0 7 -45,-2.4 4,-2.4 -2,-0.6 3,-0.3 -0.259 15.1-124.6 -61.2 146.9 4.0 15.7 31.3 105 125 A E H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.859 110.4 57.3 -62.7 -33.0 7.2 17.0 29.9 106 126 A D H 4 S+ 0 0 143 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.889 109.5 45.9 -66.1 -35.0 8.2 13.6 28.4 107 127 A L H >4 S+ 0 0 5 -3,-0.3 3,-2.1 -48,-0.3 4,-0.4 0.932 108.4 56.0 -68.0 -45.9 4.9 13.6 26.5 108 128 A K H >< S+ 0 0 97 -4,-2.4 3,-1.7 1,-0.3 4,-0.3 0.902 101.9 58.3 -51.6 -41.4 5.5 17.2 25.4 109 129 A S T 3< S+ 0 0 78 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.674 102.6 54.2 -61.4 -21.1 8.8 16.0 24.0 110 130 A E T <> S+ 0 0 61 -3,-2.1 4,-2.1 -4,-0.4 3,-0.5 0.419 77.9 97.2 -90.5 -2.6 6.9 13.5 21.8 111 131 A Y H <> S+ 0 0 9 -3,-1.7 4,-2.5 -4,-0.4 5,-0.2 0.812 79.0 56.7 -60.1 -33.5 4.6 16.1 20.2 112 132 A R H > S+ 0 0 87 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.905 109.1 45.8 -65.2 -37.4 6.8 16.4 17.1 113 133 A N H > S+ 0 0 21 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.900 113.3 49.5 -70.2 -40.3 6.5 12.6 16.5 114 134 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 114.3 44.4 -63.3 -46.8 2.7 12.7 17.0 115 135 A X H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.888 111.6 53.1 -66.3 -41.8 2.2 15.6 14.7 116 136 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.904 110.6 47.9 -58.3 -42.5 4.5 14.1 12.1 117 137 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.860 110.4 51.4 -61.8 -41.5 2.4 10.9 12.2 118 138 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.868 109.2 51.6 -65.5 -36.0 -0.8 12.9 11.9 119 139 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.938 111.4 45.9 -66.4 -44.5 0.7 14.7 8.9 120 140 A L H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.876 111.5 52.7 -66.8 -40.4 1.6 11.4 7.2 121 141 A X H X S+ 0 0 22 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.927 109.2 48.8 -56.9 -48.3 -1.8 10.0 8.0 122 142 A H H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.881 108.1 54.2 -59.0 -40.0 -3.5 13.0 6.4 123 143 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.902 108.1 50.8 -59.7 -40.1 -1.3 12.6 3.3 124 144 A D H X S+ 0 0 55 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.927 112.4 45.8 -62.6 -46.2 -2.6 9.0 3.1 125 145 A V H X S+ 0 0 23 -4,-2.2 4,-1.9 2,-0.2 5,-0.3 0.904 109.3 55.2 -67.8 -41.2 -6.2 10.1 3.3 126 146 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.5 0.936 111.3 44.8 -55.9 -49.2 -5.7 13.0 0.8 127 147 A K H < S+ 0 0 105 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.839 118.4 42.8 -63.9 -36.0 -4.4 10.5 -1.8 128 148 A K H < S+ 0 0 156 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.627 126.0 29.6 -85.6 -14.8 -7.1 7.9 -1.1 129 149 A A H < S+ 0 0 33 -4,-1.9 -3,-0.2 -3,-0.2 -2,-0.2 0.736 110.6 52.8-116.8 -28.0 -10.1 10.4 -0.9 130 150 A T < - 0 0 21 -4,-2.4 -3,-0.1 -5,-0.3 6,-0.1 0.849 69.6-150.5 -88.2 -35.7 -9.6 13.5 -3.0 131 151 A G + 0 0 81 -5,-0.5 2,-0.4 -4,-0.3 -4,-0.1 0.519 66.4 103.8 73.3 8.6 -8.8 12.3 -6.6 132 152 A E - 0 0 85 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.985 62.4-155.6-126.5 121.9 -6.8 15.5 -7.1 133 153 A R S S+ 0 0 133 -2,-0.4 -110,-2.8 1,-0.3 -1,-0.1 0.849 104.8 40.5 -59.3 -35.1 -3.0 15.8 -7.1 134 154 A K S S- 0 0 125 -112,-0.2 -1,-0.3 -3,-0.1 -110,-0.1 -0.854 99.0-143.9-111.7 88.9 -3.6 19.4 -6.2 135 155 A P - 0 0 5 0, 0.0 -110,-0.1 0, 0.0 -107,-0.1 -0.236 7.8-134.0 -60.7 139.2 -6.5 19.2 -3.7 136 156 A S > - 0 0 51 -6,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.326 29.7-100.4 -75.5 169.3 -9.2 21.9 -3.8 137 157 A R H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.937 126.5 48.5 -53.1 -51.8 -10.6 23.7 -0.7 138 158 A E H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 108.5 53.6 -61.5 -37.7 -13.6 21.4 -0.8 139 159 A A H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 112.1 45.3 -60.1 -45.8 -11.5 18.3 -1.2 140 160 A X H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.866 108.7 55.2 -67.5 -39.5 -9.5 19.3 1.9 141 161 A E H X S+ 0 0 71 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.883 108.8 49.8 -58.6 -39.3 -12.7 20.1 3.8 142 162 A F H X S+ 0 0 92 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.898 107.3 53.4 -65.8 -41.5 -13.9 16.6 3.0 143 163 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.947 108.1 50.9 -56.8 -48.8 -10.6 15.0 4.2 144 164 A A H X S+ 0 0 32 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.870 109.5 51.8 -56.2 -40.9 -11.0 16.9 7.6 145 165 A Q H X S+ 0 0 127 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.906 112.9 42.6 -60.6 -48.3 -14.5 15.5 7.9 146 166 A I H < S+ 0 0 62 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.839 112.8 53.2 -75.3 -29.5 -13.5 11.9 7.3 147 167 A V H >X S+ 0 0 3 -4,-2.5 3,-2.2 -5,-0.2 4,-0.6 0.928 102.3 58.8 -64.5 -46.4 -10.5 12.2 9.5 148 168 A D H >< S+ 0 0 73 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.824 99.9 59.9 -51.4 -34.4 -12.7 13.5 12.3 149 169 A K T 3< S+ 0 0 170 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.410 104.6 47.0 -79.0 -0.4 -14.7 10.2 12.1 150 170 A V T <4 0 0 92 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.349 360.0 360.0-114.9 1.5 -11.7 8.0 12.9 151 171 A F << 0 0 46 -3,-0.7 -108,-0.1 -4,-0.6 -85,-0.1 -0.817 360.0 360.0-114.4 360.0 -10.5 10.1 15.9