==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-APR-12 4AQG . COMPND 2 MOLECULE: NUCLEOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRIMEAN-CONGO HEMORRHAGIC FEVER VIRUS; . AUTHOR Y.WANG,S.DUTTA,H.KARLBERG,S.DEVIGNOT,F.WEBER,Q.HAO,Y.J.TAN, . 463 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 2 1 1 1 2 2 2 1 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL 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 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 0 A A 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.3 10.5 -29.8 4.2 2 1 A M + 0 0 99 2,-0.1 2,-0.2 388,-0.0 315,-0.2 -0.136 360.0 124.9 -99.2 36.3 8.5 -29.9 7.5 3 2 A E S S- 0 0 141 386,-0.2 2,-0.9 313,-0.1 310,-0.1 -0.560 77.1 -91.0 -92.8 159.0 10.6 -27.7 9.7 4 3 A N - 0 0 15 -2,-0.2 385,-0.2 308,-0.2 83,-0.1 -0.589 39.8-165.5 -69.9 106.3 9.3 -24.6 11.6 5 4 A K + 0 0 110 383,-1.5 2,-0.5 -2,-0.9 -1,-0.2 0.205 69.0 82.8 -81.2 17.1 10.0 -22.0 9.0 6 5 A I + 0 0 0 79,-0.2 81,-2.2 2,-0.1 2,-1.4 -0.680 57.5 177.0-119.8 74.1 9.6 -19.1 11.4 7 6 A E + 0 0 114 -2,-0.5 2,-0.4 79,-0.2 79,-0.1 -0.653 23.9 140.8 -82.8 90.9 12.9 -18.9 13.2 8 7 A V + 0 0 0 -2,-1.4 80,-1.7 1,-0.1 81,-0.4 -0.994 23.0 167.9-134.4 136.9 12.5 -16.0 15.5 9 8 A N + 0 0 76 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.558 66.1 26.1-125.5 -14.1 13.7 -15.5 19.1 10 9 A N S >> S- 0 0 78 1,-0.0 4,-1.8 132,-0.0 3,-0.6 -0.972 86.3 -95.3-147.7 160.8 13.2 -11.8 20.0 11 10 A K H 3> S+ 0 0 82 -2,-0.3 4,-3.1 1,-0.3 5,-0.1 0.792 123.8 45.2 -46.5 -40.0 11.0 -8.9 19.0 12 11 A D H 3> S+ 0 0 102 2,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.859 110.9 52.4 -76.1 -32.6 13.4 -7.5 16.5 13 12 A E H <> S+ 0 0 82 -3,-0.6 4,-1.1 1,-0.2 -2,-0.2 0.771 116.4 43.6 -69.5 -22.7 14.1 -11.0 15.0 14 13 A M H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.3 0.842 111.0 51.2 -87.0 -41.2 10.3 -11.0 14.8 15 14 A N H X S+ 0 0 58 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.912 112.0 49.6 -61.8 -40.1 10.0 -7.5 13.4 16 15 A R H X S+ 0 0 158 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.926 112.7 46.5 -62.2 -46.5 12.6 -8.5 10.8 17 16 A W H X S+ 0 0 25 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.921 110.3 51.6 -62.3 -48.1 10.6 -11.7 9.9 18 17 A F H X S+ 0 0 22 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.829 106.7 58.8 -58.5 -32.7 7.3 -9.8 9.7 19 18 A E H X S+ 0 0 83 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.968 106.5 42.7 -62.4 -56.7 9.0 -7.4 7.3 20 19 A E H < S+ 0 0 117 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.949 115.1 52.5 -56.0 -49.8 10.1 -9.9 4.7 21 20 A F H >X S+ 0 0 13 -4,-2.2 3,-2.1 1,-0.2 4,-1.8 0.923 108.2 48.3 -51.8 -53.6 6.7 -11.6 4.9 22 21 A K H 3< S+ 0 0 76 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.813 106.0 59.0 -59.0 -31.7 4.7 -8.4 4.4 23 22 A K T 3< S+ 0 0 157 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.512 113.4 40.2 -74.0 -5.1 6.9 -7.5 1.4 24 23 A G T <4 S+ 0 0 59 -3,-2.1 2,-0.2 -4,-0.3 -2,-0.2 0.652 117.6 42.8-114.3 -25.7 5.8 -10.8 -0.1 25 24 A N S < S- 0 0 27 -4,-1.8 2,-1.1 -5,-0.2 -1,-0.1 -0.743 83.8-111.4-118.3 166.8 2.1 -10.9 0.8 26 25 A G + 0 0 47 -2,-0.2 2,-0.1 -3,-0.1 -4,-0.1 -0.583 44.2 175.1 -99.6 72.8 -0.6 -8.3 0.8 27 26 A L + 0 0 13 -2,-1.1 2,-0.3 -5,-0.3 10,-0.2 -0.474 5.2 178.4 -76.9 149.7 -1.3 -7.8 4.5 28 27 A V B -A 36 0A 29 8,-3.4 8,-4.0 -2,-0.1 10,-0.3 -0.918 32.9-163.5-145.2 166.6 -3.7 -5.1 5.4 29 28 A D + 0 0 46 -2,-0.3 10,-0.1 6,-0.2 6,-0.1 0.010 52.7 121.6-142.0 27.0 -5.4 -3.5 8.4 30 29 A T S S+ 0 0 79 8,-0.3 9,-0.1 1,-0.2 3,-0.0 0.819 101.1 10.0 -62.0 -27.1 -8.2 -1.7 6.7 31 30 A F S S+ 0 0 40 7,-0.4 377,-5.6 3,-0.1 2,-0.4 0.354 121.6 75.0-131.2 -1.3 -10.5 -3.8 9.0 32 31 A T B -B 407 0B 0 375,-0.3 375,-0.2 6,-0.2 4,-0.1 -0.931 67.4-139.7-122.4 143.3 -8.2 -5.5 11.4 33 32 A N S S+ 0 0 36 373,-1.9 2,-0.3 -2,-0.4 -1,-0.1 0.944 98.6 37.5 -59.2 -49.0 -6.2 -4.2 14.4 34 33 A S S S- 0 0 9 372,-0.4 -6,-0.1 41,-0.2 44,-0.1 -0.741 112.3 -80.7-102.5 153.8 -3.2 -6.2 13.3 35 34 A Y + 0 0 73 -2,-0.3 43,-1.0 42,-0.1 44,-0.4 -0.268 63.5 160.4 -54.9 133.2 -2.2 -6.7 9.7 36 35 A S B -A 28 0A 0 -8,-4.0 -8,-3.4 41,-0.2 -6,-0.1 -0.847 56.1-103.6-144.5 178.4 -4.2 -9.5 8.0 37 36 A F S S+ 0 0 26 39,-0.3 2,-0.7 -2,-0.3 38,-0.2 0.415 75.6 129.1 -87.9 2.7 -5.3 -10.8 4.7 38 37 A C + 0 0 3 36,-0.8 -7,-0.4 -10,-0.3 -8,-0.3 -0.455 23.1 164.3 -67.2 104.9 -8.7 -9.2 5.2 39 38 A E + 0 0 136 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.699 67.8 16.8 -91.2 -24.3 -9.5 -7.2 2.1 40 39 A S S S- 0 0 82 34,-0.0 -1,-0.2 -9,-0.0 34,-0.1 -0.989 87.1 -89.1-149.8 157.0 -13.2 -6.8 3.0 41 40 A I - 0 0 52 -2,-0.3 2,-0.1 1,-0.1 376,-0.0 -0.404 55.5-106.1 -64.3 138.5 -15.7 -7.2 5.8 42 41 A P - 0 0 13 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.411 25.9-146.2 -67.4 141.9 -17.1 -10.8 6.0 43 42 A N + 0 0 76 27,-0.1 3,-0.3 1,-0.1 4,-0.1 -0.872 28.9 162.5-116.5 102.2 -20.7 -11.4 4.8 44 43 A L >> + 0 0 0 -2,-0.6 3,-0.7 1,-0.2 4,-0.5 0.313 42.5 112.7 -96.9 7.1 -22.5 -14.1 6.7 45 44 A D H >> S+ 0 0 68 1,-0.2 3,-1.1 2,-0.2 4,-0.8 0.832 75.3 49.3 -48.1 -44.7 -26.0 -12.9 5.4 46 45 A R H 3> S+ 0 0 99 -3,-0.3 4,-2.4 1,-0.2 3,-0.3 0.844 96.2 70.9 -67.7 -32.7 -26.7 -16.0 3.3 47 46 A F H <> S+ 0 0 8 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.691 97.2 53.8 -58.1 -16.3 -25.7 -18.4 6.2 48 47 A V H X S+ 0 0 72 -4,-2.4 3,-2.8 1,-0.2 4,-0.6 0.951 106.1 52.8 -65.8 -53.5 -29.4 -21.5 4.8 51 50 A M H >< S+ 0 0 5 -4,-1.7 3,-0.8 1,-0.3 -1,-0.2 0.836 106.4 57.6 -52.9 -30.9 -29.8 -22.2 8.4 52 51 A A T 3< S+ 0 0 75 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.564 108.2 45.8 -77.1 -8.7 -33.5 -21.5 7.8 53 52 A S T <4 S+ 0 0 96 -3,-2.8 -1,-0.2 -4,-0.2 2,-0.2 0.316 82.8 124.5-113.4 4.0 -33.6 -24.2 5.2 54 53 A A << - 0 0 20 -3,-0.8 3,-0.1 -4,-0.6 -3,-0.0 -0.497 38.2-172.4 -69.9 131.0 -31.8 -26.8 7.2 55 54 A T + 0 0 115 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.874 70.0 36.9 -89.2 -48.6 -33.7 -30.1 7.6 56 55 A D S >> S- 0 0 62 1,-0.1 3,-1.4 0, 0.0 4,-0.5 -0.859 79.2-125.7-109.4 144.9 -31.6 -32.0 10.0 57 56 A D H 3> S+ 0 0 97 -2,-0.4 4,-0.7 1,-0.3 -1,-0.1 0.561 105.5 73.1 -64.0 -5.1 -29.7 -30.4 13.0 58 57 A A H 3> S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.833 96.3 45.2 -78.7 -33.2 -26.6 -32.1 11.5 59 58 A Q H <> S+ 0 0 68 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.506 100.4 68.3 -87.6 -4.4 -26.3 -29.7 8.5 60 59 A K H X S+ 0 0 31 -4,-0.5 4,-3.1 2,-0.2 5,-0.2 0.856 97.2 55.3 -76.7 -33.7 -26.9 -26.7 10.8 61 60 A D H X S+ 0 0 98 -4,-0.7 4,-3.6 2,-0.2 -2,-0.2 0.941 109.8 45.7 -58.7 -47.7 -23.5 -27.6 12.2 62 61 A S H X S+ 0 0 70 -4,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.947 113.5 46.7 -59.8 -54.4 -22.0 -27.4 8.7 63 62 A I H X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.923 116.6 46.3 -54.7 -45.6 -23.7 -24.1 7.9 64 63 A Y H X S+ 0 0 30 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.939 111.7 50.1 -63.5 -47.5 -22.6 -22.8 11.2 65 64 A A H X S+ 0 0 30 -4,-3.6 4,-2.2 1,-0.2 -2,-0.2 0.878 113.1 49.0 -55.9 -38.8 -19.1 -24.2 10.7 66 65 A S H X S+ 0 0 43 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.882 108.5 50.1 -69.3 -43.0 -19.1 -22.4 7.3 67 66 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.959 111.8 51.6 -60.0 -46.0 -20.4 -19.1 8.7 68 67 A L H X S+ 0 0 29 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.895 110.1 45.7 -57.0 -47.2 -17.5 -19.4 11.2 69 68 A V H X S+ 0 0 23 -4,-2.2 4,-3.2 1,-0.2 3,-0.4 0.924 110.1 57.0 -64.8 -40.5 -14.8 -20.0 8.6 70 69 A E H < S+ 0 0 70 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.832 108.1 46.9 -57.9 -36.1 -16.3 -17.2 6.5 71 70 A A H < S+ 0 0 1 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.784 125.7 26.7 -80.4 -25.6 -15.8 -14.8 9.4 72 71 A T H >X S+ 0 0 1 -4,-1.4 3,-1.4 -3,-0.4 4,-0.6 0.577 86.0 99.0-114.5 -12.6 -12.2 -15.8 10.3 73 72 A K T 3< S+ 0 0 55 -4,-3.2 325,-0.5 1,-0.3 3,-0.1 0.850 104.8 19.5 -42.4 -45.6 -10.6 -17.2 7.1 74 73 A F T 34 S+ 0 0 86 -4,-0.3 -36,-0.8 323,-0.2 -1,-0.3 0.115 107.0 81.1-116.3 21.3 -8.8 -13.8 6.4 75 74 A C T <4 + 0 0 1 -3,-1.4 -41,-0.2 -38,-0.2 -2,-0.1 0.493 55.3 128.9-103.9 -6.9 -8.9 -12.0 9.8 76 75 A A < - 0 0 7 -4,-0.6 2,-1.6 322,-0.1 -39,-0.3 -0.246 63.2-125.6 -56.7 131.6 -5.9 -13.7 11.6 77 76 A P > - 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.619 28.3-168.9 -79.4 84.6 -3.3 -11.2 13.1 78 77 A I H > S+ 0 0 2 -2,-1.6 4,-2.8 -43,-1.0 5,-0.2 0.771 77.2 54.2 -45.5 -44.8 -0.3 -12.7 11.3 79 78 A Y H > S+ 0 0 13 -44,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.978 118.6 33.4 -59.0 -57.2 2.4 -10.8 13.4 80 79 A E H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.790 118.0 55.4 -69.3 -29.2 1.1 -12.0 16.7 81 80 A C H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.896 109.4 46.9 -71.0 -37.6 0.0 -15.3 15.3 82 81 A A H >< S+ 0 0 0 -4,-2.8 3,-0.5 -5,-0.2 4,-0.5 0.930 109.3 53.5 -67.9 -46.4 3.6 -15.9 14.0 83 82 A W H >< S+ 0 0 8 -4,-2.2 3,-1.7 1,-0.3 6,-0.3 0.948 107.8 51.6 -51.4 -51.0 5.1 -14.9 17.3 84 83 A V H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.800 117.3 39.2 -58.9 -28.3 2.9 -17.4 19.1 85 84 A S T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.248 90.7 126.4-105.7 10.8 4.1 -20.1 16.6 86 85 A S S <> S- 0 0 0 -3,-1.7 4,-3.2 -4,-0.5 5,-0.3 -0.354 71.3-116.6 -72.2 152.3 7.7 -19.0 16.4 87 86 A T H > S+ 0 0 35 -81,-2.2 4,-1.6 1,-0.2 5,-0.2 0.827 115.0 49.1 -54.8 -38.2 10.6 -21.4 17.1 88 87 A G H > S+ 0 0 2 -80,-1.7 4,-2.8 -82,-0.3 -1,-0.2 0.961 115.9 39.3 -68.5 -53.2 11.7 -19.4 20.1 89 88 A I H > S+ 0 0 0 -81,-0.4 4,-3.3 -6,-0.3 -2,-0.2 0.840 114.6 54.5 -65.8 -37.1 8.2 -19.2 21.8 90 89 A V H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.919 113.5 41.8 -63.9 -43.4 7.3 -22.7 20.9 91 90 A K H X S+ 0 0 104 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.949 120.7 41.7 -67.8 -50.7 10.5 -24.0 22.5 92 91 A K H X S+ 0 0 70 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.913 113.2 55.0 -61.5 -45.1 10.2 -21.7 25.6 93 92 A G H X S+ 0 0 0 -4,-3.3 4,-0.8 -5,-0.2 -1,-0.2 0.898 114.6 37.7 -54.8 -52.1 6.4 -22.3 25.8 94 93 A L H X S+ 0 0 2 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.868 117.6 50.0 -69.0 -42.2 6.7 -26.1 26.0 95 94 A E H >X S+ 0 0 69 -4,-2.5 4,-1.6 1,-0.2 3,-0.9 0.861 97.2 66.7 -67.0 -38.7 9.9 -26.1 28.2 96 95 A W H >< S+ 0 0 6 -4,-2.9 3,-0.9 1,-0.3 4,-0.3 0.943 102.3 52.1 -45.1 -48.6 8.5 -23.7 30.7 97 96 A F H >< S+ 0 0 1 -4,-0.8 3,-0.7 1,-0.3 -1,-0.3 0.775 100.4 58.9 -57.6 -35.9 6.1 -26.6 31.4 98 97 A E H << S+ 0 0 122 -3,-0.9 3,-0.3 -4,-0.7 -1,-0.3 0.832 114.3 38.6 -65.8 -31.6 8.9 -29.1 31.9 99 98 A K T << S+ 0 0 159 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.312 113.6 55.2-102.2 7.2 10.3 -27.0 34.8 100 99 A N X> + 0 0 18 -3,-0.7 4,-1.5 -4,-0.3 3,-0.6 0.123 56.1 128.6-127.1 20.5 7.0 -25.9 36.3 101 100 A A T 34 S+ 0 0 58 -3,-0.3 4,-0.3 1,-0.2 7,-0.1 0.832 77.1 56.3 -44.9 -37.9 5.1 -29.1 37.1 102 101 A G T >4 S+ 0 0 52 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.936 102.9 52.5 -62.4 -48.4 4.6 -27.8 40.7 103 102 A T T <4 S+ 0 0 51 -3,-0.6 3,-0.2 1,-0.3 -1,-0.2 0.836 116.8 38.1 -56.0 -40.7 2.9 -24.6 39.6 104 103 A I T 3X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.320 89.5 109.2 -94.0 5.8 0.3 -26.4 37.4 105 104 A K H <> + 0 0 120 -3,-1.3 4,-3.3 -4,-0.3 5,-0.3 0.877 66.6 55.9 -50.3 -56.5 0.0 -29.2 40.0 106 105 A S H > S+ 0 0 43 -4,-0.4 4,-1.3 -3,-0.2 -1,-0.2 0.941 123.2 23.4 -42.5 -74.2 -3.5 -28.6 41.5 107 106 A W H 4 S+ 0 0 1 16,-0.3 7,-0.2 1,-0.2 -1,-0.2 0.874 122.1 56.9 -64.2 -40.7 -5.4 -28.7 38.2 108 107 A D H >< S+ 0 0 29 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.900 106.1 50.9 -59.3 -41.4 -2.9 -30.7 36.2 109 108 A E H 3< S+ 0 0 139 -4,-3.3 3,-0.4 -5,-0.3 -1,-0.2 0.895 114.7 41.8 -62.5 -42.1 -3.0 -33.6 38.8 110 109 A S T >X S+ 0 0 10 -4,-1.3 4,-3.4 -5,-0.3 3,-0.5 0.038 72.7 125.3 -96.4 23.8 -6.8 -33.9 38.7 111 110 A Y H <> S+ 0 0 24 -3,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.865 75.9 53.7 -49.1 -41.6 -7.2 -33.5 35.0 112 111 A T H 34 S+ 0 0 95 -3,-0.4 -1,-0.3 2,-0.2 5,-0.1 0.910 112.8 44.3 -60.6 -41.6 -9.2 -36.7 35.0 113 112 A E H X> S+ 0 0 109 -3,-0.5 4,-3.4 1,-0.2 3,-2.0 0.936 113.7 47.3 -67.8 -49.9 -11.4 -35.2 37.6 114 113 A L H 3< S+ 0 0 3 -4,-3.4 253,-0.3 1,-0.3 -1,-0.2 0.830 101.4 71.2 -60.9 -28.1 -11.7 -31.9 35.9 115 114 A K T 3< S+ 0 0 37 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.602 119.2 12.7 -65.1 -11.7 -12.4 -34.0 32.8 116 115 A V T <4 S+ 0 0 46 -3,-2.0 244,-1.8 1,-0.3 245,-0.9 0.560 124.8 46.3-135.4 -27.7 -15.8 -34.9 34.2 117 116 A D S < S- 0 0 77 -4,-3.4 -1,-0.3 242,-0.2 250,-0.2 -0.831 87.9 -81.6-128.3 161.9 -16.6 -32.7 37.1 118 117 A V - 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0 0 0 0, 0.0 3,-1.0 0, 0.0 6,-0.3 -0.688 23.0-149.1 -76.6 107.0 1.0 -23.5 8.5 388 397 A V T 3 S+ 0 0 0 -2,-1.1 -383,-1.5 -5,-0.4 -385,-0.1 0.805 88.1 56.1 -48.5 -40.3 4.5 -23.1 10.1 389 398 A A T 3 S+ 0 0 1 -73,-0.3 -1,-0.2 1,-0.3 -386,-0.2 0.837 125.1 21.4 -65.6 -34.0 6.3 -25.4 7.5 390 399 A N S X S+ 0 0 71 -3,-1.0 3,-2.3 1,-0.1 -1,-0.3 -0.582 73.9 176.4-134.4 71.0 5.1 -23.3 4.5 391 400 A P G > S+ 0 0 9 0, 0.0 3,-2.2 0, 0.0 4,-0.1 0.793 74.3 65.9 -44.9 -42.6 4.2 -19.8 6.0 392 401 A D G > S+ 0 0 88 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.727 85.2 74.9 -57.6 -21.0 3.4 -18.3 2.6 393 402 A D G X + 0 0 52 -3,-2.3 3,-0.8 1,-0.3 4,-0.5 0.453 69.4 89.3 -71.4 2.0 0.4 -20.7 2.4 394 403 A A G < + 0 0 3 -3,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.683 68.9 77.9 -69.8 -17.5 -1.3 -18.5 4.9 395 404 A A G < S+ 0 0 46 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.882 83.8 61.6 -58.2 -40.6 -2.6 -16.6 1.9 396 405 A Q S < S- 0 0 80 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.879 109.1-127.8 -54.8 -43.7 -5.2 -19.3 1.4 397 406 A G - 0 0 2 -4,-0.5 2,-0.5 -3,-0.4 -323,-0.2 0.616 21.8-149.5 96.0 116.9 -6.7 -18.6 4.8 398 407 A S - 0 0 2 -325,-0.5 2,-0.5 -13,-0.3 -71,-0.2 -0.967 19.5-142.6-118.5 114.9 -7.5 -20.8 7.7 399 408 A G + 0 0 10 -73,-1.9 2,-0.5 -2,-0.5 -326,-0.2 -0.672 22.1 175.6 -85.3 121.2 -10.5 -19.6 9.8 400 409 A H > - 0 0 11 -2,-0.5 3,-2.5 -328,-0.4 4,-0.3 -0.984 37.4-118.6-126.1 117.6 -10.2 -20.1 13.5 401 410 A T G > S+ 0 0 24 -2,-0.5 3,-1.7 1,-0.3 4,-0.1 0.675 106.3 51.8 -15.4 -68.5 -13.0 -18.6 15.7 402 411 A K G > S+ 0 0 19 1,-0.3 3,-0.6 -25,-0.3 -1,-0.3 0.333 81.8 90.2 -69.8 14.9 -11.1 -16.1 17.8 403 412 A S G X S+ 0 0 0 -3,-2.5 3,-1.8 1,-0.2 -1,-0.3 0.716 72.7 76.1 -76.2 -19.1 -9.5 -14.4 14.8 404 413 A I G X S+ 0 0 2 -3,-1.7 3,-3.0 1,-0.3 -1,-0.2 0.798 77.6 69.4 -60.6 -32.6 -12.5 -12.1 14.9 405 414 A L G < S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.763 92.7 62.0 -59.0 -19.6 -11.2 -10.2 17.9 406 415 A N G < S+ 0 0 0 -3,-1.8 -373,-1.9 -4,-0.2 -372,-0.4 0.547 79.0 108.4 -82.6 -4.9 -8.6 -9.0 15.3 407 416 A L B < S-B 32 0B 0 -3,-3.0 -375,-0.3 -375,-0.2 10,-0.1 -0.561 86.7-104.1 -70.8 131.9 -11.5 -7.4 13.4 408 417 A R - 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0 0 88 -2,-0.2 4,-1.7 1,-0.2 -4,-0.1 -0.857 25.5-165.1 -98.8 118.0 -32.5 -22.4 20.6 434 443 A I T 4 S+ 0 0 31 -2,-0.6 -1,-0.2 -5,-0.2 -5,-0.1 0.847 92.5 56.0 -69.2 -35.3 -30.3 -20.0 22.6 435 444 A Q T 4 S+ 0 0 128 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.871 110.5 48.4 -63.3 -33.2 -32.5 -20.4 25.7 436 445 A D T 4 S+ 0 0 139 2,-0.0 -2,-0.2 0, 0.0 -1,-0.2 0.842 95.3 88.6 -73.2 -38.6 -31.8 -24.1 25.4 437 446 A M < - 0 0 42 -4,-1.7 3,-0.1 1,-0.1 -5,-0.0 -0.335 61.3-154.1 -69.3 143.3 -28.0 -23.9 24.9 438 447 A D S S+ 0 0 56 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.866 86.6 29.9 -80.2 -38.7 -25.6 -23.9 27.9 439 448 A I - 0 0 35 4,-0.0 2,-0.6 -75,-0.0 -1,-0.3 -0.975 60.1-168.1-130.0 133.2 -23.0 -21.9 25.8 440 449 A V >> - 0 0 1 -2,-0.4 4,-1.5 1,-0.2 3,-0.8 -0.958 9.7-159.4-117.7 109.4 -23.4 -19.4 23.0 441 450 A A H 3> S+ 0 0 33 -2,-0.6 4,-2.5 1,-0.3 3,-0.4 0.922 93.2 56.4 -53.6 -47.2 -20.0 -18.7 21.3 442 451 A S H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.805 105.5 53.8 -55.2 -31.4 -21.3 -15.4 19.9 443 452 A E H <> S+ 0 0 9 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.886 108.5 46.6 -72.1 -40.9 -22.1 -14.3 23.4 444 453 A H H X S+ 0 0 76 -4,-1.5 4,-3.2 -3,-0.4 5,-0.2 0.958 113.2 49.0 -65.7 -50.5 -18.6 -15.0 24.8 445 454 A L H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.931 112.3 48.6 -54.4 -48.6 -16.9 -13.2 21.9 446 455 A L H X S+ 0 0 2 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.923 111.2 50.3 -59.5 -45.2 -19.2 -10.3 22.3 447 456 A H H X S+ 0 0 108 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.936 112.6 47.8 -57.0 -47.0 -18.5 -10.2 26.1 448 457 A Q H X>S+ 0 0 32 -4,-3.2 5,-2.6 2,-0.2 4,-0.6 0.881 113.6 46.0 -61.8 -41.2 -14.8 -10.3 25.3 449 458 A S H ><5S+ 0 0 6 -4,-2.8 3,-0.8 3,-0.2 -2,-0.2 0.911 112.3 51.1 -68.1 -42.7 -15.0 -7.6 22.7 450 459 A L H 3<5S+ 0 0 60 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.856 107.2 53.9 -60.7 -38.2 -17.2 -5.4 25.1 451 460 A V H 3<5S- 0 0 28 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.686 128.0-102.1 -71.4 -17.2 -14.6 -6.0 27.8 452 461 A G T <<5 + 0 0 21 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.629 62.0 158.0 107.5 15.9 -12.0 -4.6 25.3 453 462 A K < + 0 0 16 -5,-2.6 -1,-0.2 1,-0.2 -308,-0.1 -0.573 11.0 176.2 -72.6 128.9 -10.0 -7.6 23.9 454 463 A Q + 0 0 74 -2,-0.3 -421,-0.2 1,-0.2 -420,-0.2 0.393 65.4 34.1-112.3 1.1 -8.5 -6.6 20.6 455 464 A S S > S- 0 0 0 -311,-0.1 3,-0.9 -422,-0.1 -1,-0.2 -0.989 72.7-125.2-154.0 154.1 -6.6 -9.8 20.0 456 465 A P T 3 S+ 0 0 1 0, 0.0 -158,-0.3 0, 0.0 -159,-0.3 0.631 108.6 59.8 -73.4 -16.0 -7.0 -13.6 20.7 457 466 A F T 3 S+ 0 0 1 -312,-0.4 2,-0.2 -160,-0.1 -161,-0.0 0.286 79.4 102.3 -98.8 7.8 -3.6 -13.5 22.5 458 467 A Q < - 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