==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION 01-DEC-03 1RO0 . COMPND 2 MOLECULE: ORF904; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ISLANDICUS; . AUTHOR G.LIPPS,A.O.WEINZIERL,G.VON SCHEVEN,C.BUCHEN,P.CRAMER . 210 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 0 0 2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 6 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 40 A S 0 0 146 0, 0.0 2,-0.0 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0-128.2 13.2 90.7 23.8 2 41 A S > - 0 0 40 1,-0.1 4,-1.9 52,-0.1 5,-0.1 -0.278 360.0-125.6 -75.3 161.2 9.5 91.5 24.0 3 42 A E H > S+ 0 0 130 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.860 109.5 61.7 -72.9 -34.6 7.3 92.2 21.0 4 43 A R H > S+ 0 0 46 140,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.944 110.3 38.0 -57.1 -49.7 6.3 95.5 22.6 5 44 A I H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 114.4 55.6 -71.7 -37.1 9.8 96.8 22.6 6 45 A R H X S+ 0 0 117 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.942 113.4 40.1 -59.7 -48.2 10.6 95.3 19.2 7 46 A Y H X S+ 0 0 32 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.830 111.8 55.8 -73.7 -30.1 7.7 97.0 17.5 8 47 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.950 111.3 45.3 -64.4 -45.8 8.2 100.2 19.3 9 48 A K H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.864 109.0 57.4 -63.7 -36.0 11.7 100.3 18.0 10 49 A W H X S+ 0 0 18 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.896 106.1 48.3 -63.0 -41.6 10.5 99.4 14.5 11 50 A M H ><>S+ 0 0 4 -4,-2.0 5,-2.1 2,-0.2 3,-0.7 0.952 113.8 46.5 -64.3 -47.2 8.2 102.4 14.4 12 51 A L H ><5S+ 0 0 43 -4,-2.0 3,-2.2 1,-0.3 -2,-0.2 0.898 106.0 60.4 -59.5 -41.6 11.0 104.7 15.5 13 52 A E H 3<5S+ 0 0 141 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.814 104.4 50.8 -55.7 -32.9 13.3 103.1 13.0 14 53 A H T <<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.192 126.6 -97.5 -94.4 17.7 10.9 104.2 10.3 15 54 A G T < 5S+ 0 0 28 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.602 80.7 130.4 82.2 13.2 10.8 107.8 11.4 16 55 A F < - 0 0 20 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.1 -0.853 51.9-130.0-104.5 136.4 7.6 107.7 13.4 17 56 A N - 0 0 13 -2,-0.4 2,-0.3 19,-0.3 48,-0.1 -0.470 23.1-170.4 -79.9 151.9 7.3 109.1 16.9 18 57 A I - 0 0 4 43,-0.2 43,-0.2 -2,-0.1 31,-0.1 -0.916 7.1-154.9-135.3 159.8 5.8 107.1 19.8 19 58 A I E -A 60 0A 0 41,-2.1 41,-2.5 -2,-0.3 27,-0.0 -0.993 22.2-115.0-141.4 133.5 4.9 108.0 23.3 20 59 A P E -A 59 0A 0 0, 0.0 9,-2.3 0, 0.0 2,-0.5 -0.269 25.0-134.3 -63.4 152.4 4.6 105.8 26.4 21 60 A I E -AB 58 28A 10 37,-2.7 37,-0.6 7,-0.3 120,-0.0 -0.933 22.5-116.5-110.0 129.8 1.2 105.3 28.0 22 61 A D > - 0 0 39 5,-3.3 4,-2.1 -2,-0.5 5,-0.2 -0.475 16.3-136.7 -67.8 130.9 1.0 105.7 31.8 23 62 A P T 4 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.801 100.0 35.8 -55.9 -33.4 -0.1 102.3 33.5 24 63 A E T 4 S+ 0 0 168 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.919 124.0 35.6 -89.5 -52.4 -2.5 104.1 35.8 25 64 A S T 4 S- 0 0 62 2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.753 90.9-143.0 -74.3 -23.8 -4.0 107.0 33.9 26 65 A K < + 0 0 113 -4,-2.1 -1,-0.1 1,-0.3 3,-0.0 0.756 67.4 106.4 63.8 25.4 -4.0 104.9 30.7 27 66 A K S S- 0 0 139 -5,-0.2 -5,-3.3 1,-0.1 -1,-0.3 -0.835 85.3 -68.3-127.3 164.2 -3.1 108.1 28.9 28 67 A P B -B 21 0A 17 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.228 42.2-123.3 -54.8 142.5 0.2 109.4 27.4 29 68 A V S S+ 0 0 41 -9,-2.3 2,-0.4 2,-0.0 -8,-0.1 0.673 99.4 57.7 -61.0 -18.3 2.9 110.2 29.9 30 69 A L S > S- 0 0 28 -10,-0.3 3,-0.7 1,-0.1 -8,-0.0 -0.961 72.0-150.6-117.9 132.6 3.1 113.7 28.6 31 70 A K T 3 S+ 0 0 186 -2,-0.4 2,-0.6 1,-0.3 3,-0.4 0.879 97.7 51.8 -66.0 -39.2 0.0 116.0 28.4 32 71 A E T > + 0 0 79 1,-0.2 3,-1.0 2,-0.1 -1,-0.3 -0.299 66.3 132.7 -96.6 51.3 1.3 117.8 25.4 33 72 A W G X + 0 0 25 -3,-0.7 3,-2.2 -2,-0.6 -1,-0.2 0.699 52.7 82.6 -72.6 -20.2 2.0 114.7 23.2 34 73 A Q G > S+ 0 0 71 -3,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.747 76.7 70.2 -57.3 -25.3 0.2 116.3 20.3 35 74 A K G X> S+ 0 0 80 -3,-1.0 3,-1.8 1,-0.3 4,-1.0 0.754 82.3 75.1 -64.3 -21.2 3.4 118.2 19.4 36 75 A Y G <4 S+ 0 0 0 -3,-2.2 -19,-0.3 1,-0.3 -1,-0.3 0.422 76.9 73.7 -74.1 4.2 4.9 114.8 18.4 37 76 A S G <4 S+ 0 0 12 -3,-1.5 29,-0.5 1,-0.1 -1,-0.3 0.629 112.8 25.8 -86.7 -13.7 2.8 114.8 15.2 38 77 A H T <4 S+ 0 0 146 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.522 124.2 27.8-126.1 -10.3 5.3 117.5 13.9 39 78 A E S < S- 0 0 115 -4,-1.0 -1,-0.2 3,-0.0 -22,-0.0 -0.985 72.9-106.6-150.7 161.2 8.6 117.1 15.7 40 79 A M - 0 0 124 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.537 22.3-129.2 -87.8 155.1 10.8 114.5 17.4 41 80 A P > - 0 0 4 0, 0.0 4,-0.6 0, 0.0 3,-0.1 0.650 51.0-123.3 -76.0 -16.1 11.4 114.3 21.2 42 81 A S H > - 0 0 59 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.084 34.2 -65.5 87.6 159.3 15.2 114.3 20.8 43 82 A D H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.840 129.5 51.8 -46.1 -47.7 17.8 111.7 22.0 44 83 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.981 114.4 38.9 -56.6 -64.4 17.1 112.3 25.7 45 84 A E H X S+ 0 0 51 -4,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.858 113.7 58.2 -55.1 -39.5 13.4 111.9 25.8 46 85 A K H X S+ 0 0 48 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.922 107.4 44.3 -58.8 -48.8 13.6 109.0 23.3 47 86 A Q H X S+ 0 0 121 -4,-2.2 4,-1.7 -3,-0.2 -1,-0.2 0.884 114.0 51.7 -64.3 -37.4 15.9 106.9 25.5 48 87 A R H X S+ 0 0 122 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.914 111.3 47.7 -64.0 -44.1 13.7 107.8 28.5 49 88 A F H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.940 110.3 50.8 -62.5 -48.8 10.6 106.7 26.5 50 89 A L H X S+ 0 0 22 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.819 108.1 53.8 -60.5 -31.0 12.2 103.4 25.4 51 90 A K H X S+ 0 0 132 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.922 107.3 50.1 -70.4 -42.1 13.1 102.6 29.0 52 91 A M H <>S+ 0 0 25 -4,-1.9 5,-2.6 1,-0.2 4,-0.2 0.905 113.4 47.0 -59.6 -42.7 9.5 103.1 30.1 53 92 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.912 110.8 50.5 -66.8 -43.4 8.4 100.8 27.3 54 93 A E H 3<5S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.0 56.1 -62.8 -34.8 11.0 98.2 28.1 55 94 A E T 3<5S- 0 0 136 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.536 135.4 -84.0 -75.0 -5.8 10.0 98.3 31.7 56 95 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.402 79.7 139.0 123.5 -6.2 6.4 97.4 30.7 57 96 A Y < - 0 0 70 -5,-2.6 -1,-0.3 -6,-0.2 -35,-0.1 -0.448 49.1-126.4 -71.7 146.3 4.6 100.6 29.6 58 97 A N E -A 21 0A 33 -37,-0.6 -37,-2.7 -2,-0.1 2,-0.3 -0.314 28.4-146.0 -78.2 172.9 2.3 100.4 26.6 59 98 A Y E -A 20 0A 1 -39,-0.3 83,-2.6 83,-0.3 2,-0.3 -0.969 7.3-148.1-143.4 158.7 2.9 103.0 23.9 60 99 A A E -AC 19 141A 0 -41,-2.5 -41,-2.1 -2,-0.3 81,-0.2 -0.867 9.6-138.8-127.0 160.2 1.0 104.9 21.3 61 100 A I E - C 0 140A 2 79,-2.6 79,-1.3 -2,-0.3 -43,-0.2 -0.972 23.0-134.4-121.5 112.6 1.6 106.3 17.9 62 101 A P E - C 0 139A 1 0, 0.0 3,-0.5 0, 0.0 77,-0.3 -0.399 24.2-126.5 -65.3 143.6 0.2 109.8 17.2 63 102 A G S S+ 0 0 1 75,-2.6 74,-0.4 72,-0.7 72,-0.3 -0.331 83.3 45.0 -85.5 171.9 -1.6 110.2 13.9 64 103 A G S > S+ 0 0 1 4,-2.3 3,-1.8 70,-0.5 -1,-0.2 0.117 71.5 146.6 84.9 -22.3 -0.9 112.7 11.1 65 104 A Q G > S- 0 0 4 -3,-0.5 3,-2.5 1,-0.3 -1,-0.2 -0.264 81.2 -19.1 -52.5 121.8 2.8 112.2 11.2 66 105 A K G 3 S- 0 0 155 -29,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.847 129.1 -53.1 45.2 40.2 4.4 112.6 7.8 67 106 A G G < S+ 0 0 16 -3,-1.8 44,-2.8 1,-0.3 2,-0.4 0.576 102.2 141.0 75.6 9.9 1.0 112.0 6.2 68 107 A M E < +D 110 0B 0 -3,-2.5 -4,-2.3 42,-0.2 2,-0.3 -0.699 21.9 170.3 -88.6 135.0 0.4 108.8 8.1 69 108 A V E -D 109 0B 0 40,-2.7 40,-2.7 -2,-0.4 2,-0.5 -0.949 25.3-133.6-138.1 158.2 -3.1 108.1 9.4 70 109 A I E -DE 108 134B 0 64,-2.1 64,-3.4 -2,-0.3 2,-0.8 -0.968 6.2-146.3-121.4 123.7 -4.8 105.0 10.9 71 110 A M E -DE 107 133B 0 36,-2.9 36,-2.5 -2,-0.5 2,-0.9 -0.798 21.4-158.8 -85.8 113.4 -8.2 103.8 9.8 72 111 A D E -DE 106 132B 34 60,-3.2 60,-1.8 -2,-0.8 2,-0.4 -0.790 8.2-170.2-102.5 92.4 -9.6 102.4 13.1 73 112 A F E -DE 105 131B 6 32,-2.3 32,-1.9 -2,-0.9 58,-0.2 -0.660 19.4-145.4 -84.9 133.0 -12.4 99.9 12.5 74 113 A E S S+ 0 0 114 56,-2.4 2,-0.4 -2,-0.4 -1,-0.1 0.831 85.1 31.2 -64.9 -33.7 -14.4 98.7 15.5 75 114 A S > - 0 0 43 55,-0.5 4,-1.7 1,-0.1 29,-0.3 -0.964 54.1-166.7-135.9 121.9 -14.9 95.1 14.1 76 115 A K H > S+ 0 0 65 27,-2.6 4,-2.1 -2,-0.4 5,-0.2 0.893 95.9 52.6 -68.6 -41.0 -12.6 93.0 11.9 77 116 A E H > S+ 0 0 163 26,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.845 108.4 52.8 -64.5 -31.2 -15.3 90.4 11.1 78 117 A K H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 107.9 49.5 -69.8 -41.6 -17.6 93.3 10.1 79 118 A L H X>S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 5,-0.6 0.879 106.6 56.7 -64.9 -37.0 -15.0 94.7 7.7 80 119 A K H X5S+ 0 0 88 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.891 112.3 41.0 -61.7 -39.1 -14.5 91.2 6.2 81 120 A A H <5S+ 0 0 72 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.850 114.5 57.3 -74.9 -34.4 -18.2 91.0 5.4 82 121 A W H <5S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.973 126.7 9.1 -60.0 -65.4 -18.1 94.7 4.3 83 122 A I H <5S- 0 0 3 -4,-2.5 4,-0.5 1,-0.1 -3,-0.2 0.513 111.6-109.4-100.1 -5.7 -15.4 94.7 1.5 84 123 A G X< - 0 0 25 -4,-1.0 4,-2.3 -5,-0.6 3,-0.2 0.207 28.0 -84.6 90.8 147.3 -14.9 90.9 1.2 85 124 A E H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 125.6 53.9 -52.6 -44.4 -12.1 88.6 2.1 86 125 A S H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 110.2 44.9 -60.3 -45.1 -10.2 89.3 -1.1 87 126 A A H > S+ 0 0 25 -4,-0.5 4,-2.4 -3,-0.2 -1,-0.2 0.914 114.3 49.0 -67.2 -43.2 -10.2 93.1 -0.7 88 127 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 111.3 49.5 -62.8 -45.2 -9.2 92.9 2.9 89 128 A E H < S+ 0 0 85 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.883 111.3 48.9 -62.2 -39.8 -6.4 90.5 2.2 90 129 A E H >X S+ 0 0 89 -4,-1.9 4,-1.7 -5,-0.2 3,-1.1 0.952 111.3 49.8 -65.3 -47.6 -5.0 92.7 -0.6 91 130 A L H 3X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.3 3,-0.3 0.923 115.3 42.7 -55.7 -47.8 -5.2 95.8 1.5 92 131 A a H 3< S+ 0 0 0 -4,-2.5 81,-0.3 1,-0.2 -1,-0.3 0.477 108.0 61.7 -81.2 0.0 -3.3 94.1 4.4 93 132 A R H <4 S+ 0 0 170 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.765 111.5 38.5 -88.8 -32.0 -0.9 92.6 1.9 94 133 A K H < S+ 0 0 99 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.720 124.6 21.2 -91.9 -23.7 0.2 96.1 0.8 95 134 A T S < S- 0 0 0 -4,-1.6 2,-0.3 -5,-0.2 82,-0.2 -0.922 91.5 -74.7-142.7 167.9 0.2 97.9 4.2 96 135 A L + 0 0 2 80,-0.4 12,-2.5 -2,-0.3 2,-0.4 -0.445 46.0 176.5 -67.3 125.0 0.4 97.4 7.9 97 136 A a E -F 107 0B 0 76,-0.3 74,-2.0 -2,-0.3 75,-0.4 -0.978 5.6-169.9-127.7 142.8 -2.8 96.1 9.6 98 137 A T E -FG 106 170B 0 8,-2.2 8,-2.8 -2,-0.4 2,-0.4 -0.960 23.4-122.0-135.5 152.8 -3.2 95.1 13.3 99 138 A N E -FG 105 169B 27 70,-3.5 70,-1.2 -2,-0.3 6,-0.2 -0.754 31.7-139.4 -87.4 135.1 -5.7 93.4 15.5 100 139 A T > - 0 0 16 4,-1.9 3,-1.3 -2,-0.4 67,-0.1 -0.428 24.2-106.6 -90.5 171.4 -7.0 95.6 18.3 101 140 A V T 3 S+ 0 0 3 1,-0.2 -1,-0.1 65,-0.1 67,-0.1 0.629 118.4 50.6 -72.0 -11.2 -7.6 94.4 21.9 102 141 A H T 3 S- 0 0 69 56,-0.1 -1,-0.2 55,-0.1 3,-0.1 0.190 126.8 -89.9-111.3 15.3 -11.4 94.6 21.3 103 142 A G S < S+ 0 0 43 -3,-1.3 -27,-2.6 1,-0.2 -26,-0.4 0.578 89.2 121.8 90.0 8.8 -11.7 92.7 18.0 104 143 A G - 0 0 2 -29,-0.3 -4,-1.9 -28,-0.1 2,-0.4 -0.168 54.6-127.0 -91.0-170.1 -11.2 95.6 15.8 105 144 A I E -DF 73 99B 0 -32,-1.9 -32,-2.3 -6,-0.2 2,-0.5 -0.997 6.9-151.1-145.0 135.7 -8.6 96.2 13.1 106 145 A H E -DF 72 98B 5 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.6 -0.935 8.1-165.7-106.9 126.7 -6.2 99.1 12.5 107 146 A I E -DF 71 97B 0 -36,-2.5 -36,-2.9 -2,-0.5 2,-0.4 -0.951 9.9-155.6-115.1 110.7 -5.2 99.8 8.9 108 147 A Y E +D 70 0B 2 -12,-2.5 70,-0.5 -2,-0.6 2,-0.3 -0.743 21.8 168.1 -87.1 129.6 -2.1 102.2 8.8 109 148 A V E -D 69 0B 0 -40,-2.7 -40,-2.7 -2,-0.4 2,-0.5 -0.950 33.4-130.7-141.8 159.3 -1.7 104.2 5.6 110 149 A L E -Dh 68 179B 35 68,-2.0 70,-2.1 -2,-0.3 2,-0.4 -0.930 30.5-175.6-108.3 132.4 0.2 107.1 4.1 111 150 A S - 0 0 10 -44,-2.8 3,-0.3 -2,-0.5 70,-0.1 -0.995 31.8-155.9-135.8 139.8 -1.8 109.8 2.3 112 151 A N S S+ 0 0 145 -2,-0.4 2,-0.3 68,-0.4 -1,-0.1 0.556 96.4 50.8 -82.4 -11.3 -0.9 112.9 0.3 113 152 A D S S+ 0 0 77 -46,-0.1 -1,-0.2 2,-0.0 70,-0.1 -0.681 70.7 174.0-132.4 80.6 -4.4 114.3 1.1 114 153 A I - 0 0 25 -2,-0.3 -46,-0.0 -3,-0.3 21,-0.0 -0.683 44.9 -97.6 -86.6 136.9 -5.2 114.1 4.8 115 154 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.290 25.5-138.6 -54.3 127.1 -8.4 115.8 6.0 116 155 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.724 86.1 22.9 -61.6 -17.8 -7.6 119.3 7.3 117 156 A H S S- 0 0 105 18,-0.0 2,-0.3 0, 0.0 19,-0.0 -0.926 101.8 -74.6-143.2 165.8 -10.1 118.6 10.1 118 157 A K + 0 0 116 -2,-0.3 16,-0.1 1,-0.1 85,-0.0 -0.454 38.7 175.7 -67.1 126.7 -11.7 115.7 12.0 119 158 A I - 0 0 3 -2,-0.3 82,-0.2 14,-0.2 85,-0.1 -0.209 29.8-171.2-123.3 39.4 -14.4 114.0 9.9 120 159 A N + 0 0 53 13,-0.1 2,-0.1 83,-0.1 12,-0.1 -0.624 55.5 37.7 -93.0 149.1 -15.3 111.1 12.2 121 160 A P - 0 0 33 0, 0.0 83,-0.3 0, 0.0 80,-0.3 0.565 67.7-164.3 -80.0 154.3 -16.9 108.8 12.2 122 161 A L S S+ 0 0 2 9,-2.1 79,-2.2 1,-0.2 2,-0.3 0.957 74.4 10.9 -65.9 -50.4 -16.0 107.9 8.6 123 162 A F E -IJ 131 200B 0 8,-0.7 7,-2.1 77,-0.3 8,-0.7 -0.908 68.3-158.6-129.0 157.5 -18.9 105.4 8.2 124 163 A E E -IJ 129 199B 63 75,-3.0 75,-2.3 -2,-0.3 2,-0.4 -0.966 5.2-163.0-136.7 150.8 -21.9 104.5 10.2 125 164 A E E > S-IJ 128 198B 70 3,-2.6 3,-0.9 -2,-0.3 73,-0.1 -0.981 81.0 -6.6-136.3 121.3 -24.2 101.5 10.5 126 165 A N T 3 S- 0 0 148 71,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.901 133.2 -52.0 62.0 41.0 -27.7 101.7 12.1 127 166 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.540 118.1 103.3 75.4 8.3 -26.9 105.3 13.2 128 167 A K E < S- I 0 125B 152 -3,-0.9 -3,-2.6 2,-0.0 -1,-0.2 -0.953 73.9-108.0-128.4 146.0 -23.6 104.5 14.9 129 168 A G E + I 0 124B 22 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.438 29.7 175.3 -69.0 135.3 -19.9 105.0 13.9 130 169 A I E + 0 0 9 -7,-2.1 -56,-2.4 1,-0.3 -55,-0.5 0.363 67.1 27.5-120.7 1.9 -18.0 101.9 13.0 131 170 A I E -EI 73 123B 1 -8,-0.7 -9,-2.1 -58,-0.2 -8,-0.7 -0.918 59.8-164.4-165.1 135.2 -14.7 103.4 12.0 132 171 A D E -E 72 0B 51 -60,-1.8 -60,-3.2 -2,-0.3 2,-0.7 -0.939 21.6-129.6-122.9 145.7 -12.7 106.5 12.8 133 172 A L E -E 71 0B 7 -2,-0.4 2,-0.9 -62,-0.2 -62,-0.2 -0.859 21.4-149.3 -94.4 116.9 -9.8 108.0 10.9 134 173 A Q E +E 70 0B 31 -64,-3.4 -64,-2.1 -2,-0.7 -70,-0.5 -0.789 40.8 135.8 -92.8 107.9 -7.0 108.7 13.4 135 174 A S > - 0 0 14 -2,-0.9 3,-1.4 1,-0.4 -72,-0.7 -0.142 56.2 -2.8-122.7-143.2 -5.1 111.7 12.2 136 175 A Y T 3 S+ 0 0 80 1,-0.2 -1,-0.4 -72,-0.1 -72,-0.2 -0.209 129.4 19.2 -54.9 144.0 -3.7 114.8 14.0 137 176 A N T 3 S+ 0 0 97 -74,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.641 113.2 84.9 68.7 18.5 -4.6 115.0 17.7 138 177 A S < - 0 0 11 -3,-1.4 -75,-2.6 -75,-0.1 2,-0.3 -0.875 53.0-173.1-137.7 171.0 -5.3 111.3 17.9 139 178 A Y E -C 62 0A 63 -2,-0.3 2,-0.3 -77,-0.3 -4,-0.1 -0.959 13.6-142.5-156.3 168.9 -3.3 108.2 18.5 140 179 A V E -C 61 0A 5 -79,-1.3 -79,-2.6 -2,-0.3 2,-0.2 -0.960 33.0-103.3-134.5 153.2 -3.6 104.4 18.5 141 180 A L E -C 60 0A 27 -2,-0.3 -81,-0.3 -81,-0.2 2,-0.1 -0.559 44.7-122.1 -75.3 144.0 -1.9 101.9 20.8 142 181 A G > - 0 0 0 -83,-2.6 3,-2.3 -2,-0.2 26,-0.3 -0.465 34.1 -71.2 -91.6 161.2 1.0 100.1 19.1 143 182 A L T 3 S+ 0 0 7 1,-0.3 26,-0.2 -2,-0.1 -1,-0.2 -0.100 118.9 28.3 -43.6 133.4 1.8 96.5 18.5 144 183 A G T 3 S+ 0 0 10 24,-2.7 -140,-0.3 1,-0.4 -1,-0.3 0.141 84.4 130.4 97.3 -21.1 2.7 94.6 21.6 145 184 A S < - 0 0 0 -3,-2.3 23,-2.5 -86,-0.1 -1,-0.4 -0.460 43.1-157.1 -66.9 138.0 0.6 96.8 23.9 146 185 A b E -K 167 0C 49 21,-0.2 2,-0.4 -2,-0.1 21,-0.3 -0.941 8.4-160.1-123.5 145.8 -1.6 94.7 26.2 147 186 A V E -K 166 0C 29 19,-3.0 19,-2.0 -2,-0.4 2,-0.6 -0.981 10.4-148.8-126.8 131.2 -4.8 95.6 28.0 148 187 A N E > -K 165 0C 48 -2,-0.4 3,-0.6 17,-0.2 17,-0.2 -0.889 11.6-155.4 -97.4 123.8 -6.3 93.8 31.0 149 188 A H G > + 0 0 0 15,-2.9 3,-1.2 -2,-0.6 12,-0.9 0.379 64.1 105.6 -83.9 5.9 -10.1 94.2 30.7 150 189 A L G 3 S+ 0 0 70 1,-0.3 -1,-0.2 11,-0.2 13,-0.1 0.816 85.5 42.1 -53.2 -36.8 -10.9 93.8 34.4 151 190 A H G < S+ 0 0 140 -3,-0.6 2,-0.6 11,-0.1 -1,-0.3 0.530 85.9 106.6 -91.7 -7.5 -11.6 97.6 34.9 152 191 A C < + 0 0 27 -3,-1.2 9,-2.2 7,-0.2 10,-0.1 -0.628 33.8 162.5 -75.2 118.7 -13.5 98.1 31.7 153 192 A T + 0 0 84 -2,-0.6 2,-0.2 7,-0.2 -1,-0.1 0.310 40.5 96.8-120.5 7.3 -17.2 98.6 32.6 154 193 A T S > S- 0 0 77 1,-0.1 3,-1.1 0, 0.0 6,-0.1 -0.497 81.7-115.6 -93.6 166.6 -18.6 100.2 29.5 155 194 A D T 3 S+ 0 0 149 1,-0.2 -1,-0.1 -2,-0.2 5,-0.0 0.466 106.9 78.6 -79.5 -0.5 -20.5 98.5 26.6 156 195 A K T 3 S+ 0 0 184 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.654 84.6 70.4 -79.7 -15.9 -17.6 99.5 24.3 157 196 A C X - 0 0 7 -3,-1.1 3,-1.1 1,-0.1 -1,-0.1 -0.904 66.0-162.1-105.1 118.4 -15.6 96.7 25.7 158 197 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -56,-0.1 0.794 93.8 56.2 -66.4 -25.0 -16.7 93.2 24.7 159 198 A W T > S- 0 0 79 -3,-0.1 3,-2.5 3,-0.1 -7,-0.2 -0.116 83.1-177.5 -99.9 36.5 -14.7 91.8 27.6 160 199 A K T < - 0 0 95 -3,-1.1 -7,-0.2 1,-0.3 -10,-0.1 -0.031 69.0 -18.7 -39.3 116.7 -16.5 93.9 30.3 161 200 A E T 3 S+ 0 0 107 -9,-2.2 2,-0.3 -12,-0.9 -1,-0.3 0.656 96.6 147.5 55.5 20.2 -14.9 93.3 33.7 162 201 A Q < - 0 0 87 -3,-2.5 2,-2.5 -13,-0.4 -1,-0.2 -0.666 59.2-123.7 -88.7 141.0 -13.4 90.0 32.7 163 202 A N S S+ 0 0 135 -2,-0.3 2,-0.3 -14,-0.1 -1,-0.1 -0.579 74.2 124.3 -79.1 80.9 -10.1 88.9 34.2 164 203 A Y - 0 0 106 -2,-2.5 -15,-2.9 -5,-0.2 2,-0.4 -0.997 48.1-157.0-149.2 136.1 -8.7 88.7 30.7 165 204 A T E +K 148 0C 76 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.959 14.5 171.4-120.2 133.5 -5.8 90.2 28.9 166 205 A T E -K 147 0C 23 -19,-2.0 -19,-3.0 -2,-0.4 2,-0.3 -0.912 14.0-151.4-132.2 161.6 -5.4 90.8 25.1 167 206 A b E -K 146 0C 44 -2,-0.3 2,-0.7 -21,-0.3 -21,-0.2 -0.834 29.2 -93.5-132.0 169.1 -2.8 92.6 23.1 168 207 A Y + 0 0 26 -23,-2.5 -24,-2.7 -26,-0.3 2,-0.3 -0.750 55.8 178.3 -82.7 119.3 -2.4 94.5 19.8 169 208 A T E -G 99 0B 67 -70,-1.2 -70,-3.5 -2,-0.7 2,-0.1 -0.819 34.3 -88.2-123.7 162.0 -1.2 91.9 17.4 170 209 A L E -G 98 0B 37 -2,-0.3 -72,-0.2 -72,-0.2 4,-0.1 -0.424 26.4-141.4 -67.5 141.4 -0.2 91.7 13.7 171 210 A Y S S- 0 0 42 -74,-2.0 -1,-0.1 2,-0.2 -73,-0.1 0.918 84.1 -33.9 -67.2 -46.6 -3.1 90.9 11.4 172 211 A N S S- 0 0 44 -75,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.277 117.3 -13.3-137.3 -84.3 -0.9 88.7 9.3 173 212 A E S S- 0 0 122 -81,-0.3 -76,-0.3 -76,-0.0 -1,-0.3 -0.905 74.0 -88.1-130.0 159.8 2.8 89.7 8.9 174 213 A L + 0 0 49 -2,-0.3 2,-0.3 -4,-0.1 -78,-0.0 -0.442 55.8 167.5 -65.8 132.0 4.9 92.8 9.6 175 214 A K - 0 0 55 -2,-0.2 -79,-0.2 -78,-0.1 -81,-0.1 -0.988 38.5 -91.7-148.0 154.5 4.8 95.1 6.6 176 215 A E - 0 0 116 -2,-0.3 2,-0.7 -81,-0.1 -80,-0.4 -0.289 42.8-110.5 -63.6 145.8 5.8 98.7 5.7 177 216 A I - 0 0 13 -82,-0.2 2,-0.2 -68,-0.1 -68,-0.2 -0.718 50.5-168.7 -78.0 119.1 3.1 101.4 6.1 178 217 A S - 0 0 36 -2,-0.7 -68,-2.0 -70,-0.5 2,-0.1 -0.635 21.4 -89.1-112.2 170.7 2.5 102.2 2.4 179 218 A K B +h 110 0B 141 -70,-0.2 2,-0.3 -2,-0.2 -68,-0.2 -0.415 39.0 178.5 -77.6 149.8 0.7 104.9 0.5 180 219 A V - 0 0 15 -70,-2.1 2,-1.2 -2,-0.1 -68,-0.4 -0.938 40.2-110.0-142.3 159.5 -2.9 104.6 -0.6 181 220 A D > - 0 0 102 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.822 36.4-163.6 -93.8 95.4 -5.3 107.0 -2.4 182 221 A L H > S+ 0 0 2 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.890 83.8 45.3 -48.5 -53.2 -7.4 107.8 0.6 183 222 A K H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 113.7 50.7 -62.6 -36.9 -10.3 109.3 -1.3 184 223 A S H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 110.7 50.1 -67.2 -36.4 -10.3 106.4 -3.7 185 224 A L H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 110.0 49.4 -66.2 -46.7 -10.3 104.0 -0.8 186 225 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.859 109.5 52.2 -61.5 -36.0 -13.2 105.7 0.9 187 226 A R H X S+ 0 0 113 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.889 109.4 50.1 -67.8 -36.6 -15.2 105.6 -2.4 188 227 A F H X S+ 0 0 77 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.934 112.2 46.8 -64.8 -46.9 -14.5 101.9 -2.7 189 228 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 112.3 51.5 -61.2 -41.4 -15.7 101.3 0.9 190 229 A A H X S+ 0 0 24 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.933 111.9 45.4 -62.1 -47.3 -18.8 103.5 0.2 191 230 A E H < S+ 0 0 146 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.899 116.0 46.1 -64.0 -42.3 -19.7 101.5 -2.9 192 231 A K H >< S+ 0 0 58 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.866 113.7 49.3 -68.9 -37.0 -19.2 98.2 -1.2 193 232 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 3,-2.2 0.675 85.6 82.9 -79.9 -18.4 -21.0 99.1 2.0 194 233 A K G ><5S+ 0 0 138 -4,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.829 91.3 52.7 -55.6 -34.1 -24.2 100.5 0.5 195 234 A R G < 5S+ 0 0 184 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.365 110.4 48.0 -85.3 6.6 -25.7 97.0 0.1 196 235 A L G < 5S- 0 0 82 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.198 121.0 -98.7-127.1 11.2 -25.0 96.2 3.8 197 236 A G T < 5S+ 0 0 47 -3,-0.8 -71,-0.6 -4,-0.3 2,-0.5 0.651 80.5 134.4 80.2 15.1 -26.4 99.3 5.4 198 237 A I E < +J 125 0B 2 -5,-2.4 2,-0.3 -73,-0.1 -1,-0.3 -0.875 28.1 170.7-101.5 125.9 -23.0 101.0 5.8 199 238 A T E -J 124 0B 55 -75,-2.3 -75,-3.0 -2,-0.5 -9,-0.0 -0.928 35.3-100.4-135.0 157.9 -22.9 104.6 4.8 200 239 A L E -J 123 0B 29 -2,-0.3 -77,-0.3 -77,-0.2 2,-0.1 -0.331 43.6-109.4 -69.3 155.8 -20.5 107.6 4.9 201 240 A S > - 0 0 7 -79,-2.2 4,-2.7 -80,-0.3 5,-0.3 -0.452 30.6-106.2 -82.8 162.9 -21.1 110.2 7.7 202 241 A K H > S+ 0 0 197 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.920 121.4 43.3 -54.3 -49.0 -22.3 113.7 6.7 203 242 A T H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 113.2 52.3 -67.7 -34.8 -19.0 115.3 7.3 204 243 A A H > S+ 0 0 0 -83,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.934 110.3 46.3 -67.5 -46.9 -17.0 112.5 5.6 205 244 A K H X S+ 0 0 107 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.885 109.8 58.4 -61.7 -37.6 -19.1 112.6 2.4 206 245 A E H >X S+ 0 0 123 -4,-1.8 3,-0.6 -5,-0.3 4,-0.5 0.973 110.9 38.5 -53.8 -62.2 -18.7 116.4 2.5 207 246 A W H >< S+ 0 0 26 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.877 113.4 57.3 -58.0 -41.8 -14.9 116.2 2.4 208 247 A L H 3< S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 112.2 40.9 -61.3 -32.6 -15.0 113.4 -0.1 209 248 A E H << 0 0 141 -4,-2.0 -1,-0.3 -3,-0.6 -2,-0.2 0.421 360.0 360.0 -95.6 -0.2 -17.0 115.4 -2.5 210 249 A G << 0 0 81 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 -0.367 360.0 360.0 58.3 360.0 -15.0 118.6 -1.9