==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-09 3HW5 . COMPND 2 MOLECULE: POLYMERASE ACIDIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR C.ZHAO,Z.LOU,Y.GUO,M.MA,Y.CHEN,S.LIANG,Z.RAO . 709 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 1 0.1 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 . 28 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 0 3 1 4 0 0 1 5 3 2 1 0 3 1 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 4 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 12 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 4 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 -3 A P 0 0 164 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.5 4.4 10.8 -14.6 2 -2 A L - 0 0 152 165,-0.1 164,-0.2 164,-0.0 163,-0.1 -0.985 360.0-158.9-104.8 118.9 6.2 7.5 -15.5 3 -1 A G - 0 0 40 162,-3.1 2,-0.6 -2,-0.5 3,-0.1 -0.079 23.4 -88.3 -84.3-171.8 9.8 8.2 -14.9 4 0 A S > - 0 0 47 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.906 22.2-152.9-103.0 125.9 12.9 6.4 -16.2 5 1 A M H > S+ 0 0 10 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.893 97.2 57.3 -65.6 -39.3 14.1 3.5 -14.2 6 2 A E H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.958 107.4 46.0 -52.4 -51.5 17.7 4.1 -15.5 7 3 A D H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 111.7 53.3 -61.7 -33.9 17.7 7.7 -14.2 8 4 A F H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.918 108.0 50.6 -61.3 -47.6 16.2 6.4 -10.8 9 5 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.949 111.9 45.8 -56.5 -48.5 19.0 3.9 -10.4 10 6 A R H < S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.794 119.3 42.8 -73.4 -18.8 21.8 6.4 -11.1 11 7 A Q H < S+ 0 0 125 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.771 119.6 36.6 -95.1 -26.4 20.1 9.0 -8.7 12 8 A C H < S+ 0 0 36 -4,-2.5 2,-0.4 -5,-0.1 -3,-0.2 0.541 104.8 68.3-114.4 -7.3 19.1 6.8 -5.7 13 9 A F S < S- 0 0 8 -4,-1.6 5,-0.0 -5,-0.3 31,-0.0 -0.932 91.8-100.0-109.8 142.2 21.9 4.3 -5.4 14 10 A N > - 0 0 77 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.114 34.6-121.2 -43.6 138.3 25.5 5.0 -4.4 15 11 A P H > S+ 0 0 101 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.813 111.8 58.9 -66.7 -25.1 27.7 5.2 -7.5 16 12 A M H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 109.4 46.1 -63.6 -44.3 30.0 2.4 -6.3 17 13 A I H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.962 112.5 48.6 -63.5 -46.9 26.9 0.2 -6.2 18 14 A V H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.923 110.9 50.8 -61.0 -46.2 25.7 1.4 -9.7 19 15 A E H X S+ 0 0 93 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.944 111.3 48.2 -59.0 -44.0 29.2 0.8 -11.2 20 16 A L H X S+ 0 0 45 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.888 111.9 49.9 -59.0 -42.9 29.3 -2.8 -9.8 21 17 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.892 111.1 47.7 -63.7 -40.7 25.9 -3.5 -11.1 22 18 A E H X S+ 0 0 39 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.934 111.2 52.0 -66.5 -42.2 26.7 -2.2 -14.6 23 19 A K H X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 110.0 49.0 -55.2 -48.5 29.9 -4.3 -14.5 24 20 A A H X S+ 0 0 30 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.819 113.7 46.1 -62.0 -33.7 27.8 -7.4 -13.6 25 21 A M H ><>S+ 0 0 0 -4,-1.7 5,-2.7 2,-0.2 3,-0.6 0.924 110.6 50.9 -76.7 -41.7 25.3 -6.7 -16.4 26 22 A K H ><5S+ 0 0 85 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.896 101.8 62.4 -65.1 -42.7 27.8 -6.1 -19.1 27 23 A E H 3<5S+ 0 0 16 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.829 110.8 40.5 -46.9 -38.6 29.6 -9.3 -18.2 28 24 A Y T <<5S- 0 0 138 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.241 118.8-108.4 -99.5 16.9 26.4 -11.1 -19.2 29 25 A G T < 5S+ 0 0 30 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.700 74.4 136.3 68.3 19.1 25.6 -9.0 -22.3 30 26 A E < - 0 0 62 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.828 51.0-135.2 -95.9 136.7 22.7 -7.3 -20.7 31 27 A D >> - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 3,-1.4 -0.843 2.2-149.1 -93.9 123.9 22.5 -3.6 -21.2 32 28 A P T 34 S+ 0 0 7 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.773 99.6 57.4 -55.7 -28.1 21.7 -1.4 -18.1 33 29 A K T 34 S+ 0 0 132 2,-0.1 3,-0.2 1,-0.1 -27,-0.2 0.663 119.5 28.6 -74.4 -19.1 19.9 1.1 -20.5 34 30 A I T <4 S+ 0 0 119 -3,-1.4 2,-2.6 1,-0.2 3,-0.3 0.823 118.9 47.5-107.1 -62.4 17.6 -1.5 -21.7 35 31 A E S X S+ 0 0 84 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 -0.374 71.3 153.3 -83.8 66.5 17.1 -4.1 -19.1 36 32 A T H > + 0 0 32 -2,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.837 63.1 55.4 -75.7 -35.4 16.4 -1.5 -16.4 37 33 A N H > S+ 0 0 28 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.939 112.2 48.6 -58.8 -42.4 14.1 -3.4 -13.9 38 34 A K H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.914 107.6 53.5 -60.5 -43.0 17.0 -5.9 -13.8 39 35 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.913 110.7 47.2 -55.1 -46.0 19.6 -3.1 -13.3 40 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.888 111.5 50.2 -64.3 -46.2 17.5 -1.9 -10.3 41 37 A A H X S+ 0 0 21 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.895 111.2 50.5 -58.2 -45.7 17.2 -5.5 -8.8 42 38 A I H X S+ 0 0 44 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.917 111.2 45.2 -57.6 -52.5 20.9 -5.9 -9.2 43 39 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.881 113.2 52.4 -53.5 -48.3 21.8 -2.7 -7.4 44 40 A T H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.955 110.3 47.3 -57.8 -47.8 19.2 -3.5 -4.7 45 41 A H H X S+ 0 0 31 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.905 112.6 50.3 -63.7 -39.6 20.7 -7.0 -4.1 46 42 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.923 108.6 51.1 -58.3 -47.1 24.2 -5.5 -4.0 47 43 A E H X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.929 109.4 51.3 -61.1 -38.7 23.2 -2.9 -1.5 48 44 A V H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.931 107.9 52.1 -62.6 -41.5 21.7 -5.6 0.7 49 45 A C H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.913 111.4 46.8 -59.1 -40.5 24.9 -7.6 0.6 50 46 A F H < S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.5 47.4 -72.3 -37.8 26.9 -4.6 1.7 51 47 A M H < S+ 0 0 56 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.2 53.2 -65.9 -40.3 24.5 -3.7 4.5 52 48 A Y H < 0 0 4 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.898 360.0 360.0 -62.7 -39.5 24.4 -7.4 5.7 53 49 A S < 0 0 59 -4,-1.8 4,-0.1 -5,-0.2 38,-0.0 -0.002 360.0 360.0 -95.7 360.0 28.2 -7.5 5.9 54 ! 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 55 75 A R 0 0 116 0, 0.0 37,-2.6 0, 0.0 38,-0.4 0.000 360.0 360.0 360.0 -37.2 32.9 -10.9 10.4 56 76 A F E -A 91 0A 39 35,-0.2 2,-0.5 36,-0.1 35,-0.2 -0.893 360.0-151.7-119.0 141.8 32.0 -11.1 6.7 57 77 A E E -A 90 0A 49 33,-2.7 33,-2.0 -2,-0.4 2,-0.4 -0.876 26.0-132.9-102.5 126.3 33.9 -11.5 3.5 58 78 A I E +A 89 0A 33 -2,-0.5 31,-0.2 31,-0.2 30,-0.1 -0.694 35.0 162.8 -79.4 132.2 32.1 -9.9 0.5 59 79 A I > + 0 0 2 29,-3.0 3,-1.7 -2,-0.4 30,-0.2 0.717 53.2 80.4-112.0 -48.8 32.0 -12.2 -2.5 60 80 A E T 3 S+ 0 0 66 28,-2.1 3,-0.1 1,-0.2 28,-0.1 -0.226 91.4 35.5 -54.7 143.6 29.2 -10.6 -4.6 61 81 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 -41,-0.1 2,-0.1 0.047 92.4 114.8 98.0 -28.2 30.3 -7.6 -6.5 62 82 A R S < S- 0 0 86 -3,-1.7 -1,-0.3 1,-0.1 -3,-0.0 -0.389 80.2 -92.2 -71.5 151.1 33.8 -8.9 -7.3 63 83 A D > - 0 0 57 1,-0.1 4,-3.0 -3,-0.1 5,-0.1 -0.408 44.4-114.4 -54.1 141.9 35.2 -9.8 -10.7 64 84 A R H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.834 114.9 50.9 -57.2 -41.4 34.5 -13.5 -11.2 65 85 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 115.1 42.2 -67.2 -45.3 38.2 -14.5 -11.2 66 86 A M H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.907 112.9 54.5 -63.2 -37.1 38.8 -12.6 -8.0 67 87 A A H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.949 112.0 43.7 -63.5 -47.1 35.5 -14.0 -6.5 68 88 A W H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.844 111.5 54.3 -67.5 -36.2 36.5 -17.6 -7.2 69 89 A T H X S+ 0 0 24 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.906 111.5 45.4 -55.2 -47.4 40.1 -16.9 -5.9 70 90 A V H X S+ 0 0 25 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.944 114.0 49.0 -65.3 -48.6 38.5 -15.6 -2.6 71 91 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.923 114.5 44.4 -54.0 -48.8 36.1 -18.6 -2.5 72 92 A N H X S+ 0 0 6 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.912 110.6 55.0 -64.3 -39.0 38.9 -21.2 -3.1 73 93 A S H X S+ 0 0 65 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.899 111.7 43.3 -62.8 -44.2 41.2 -19.4 -0.7 74 94 A I H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.945 115.0 50.6 -64.4 -46.1 38.6 -19.7 2.1 75 95 A C H < S+ 0 0 14 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.881 112.2 44.5 -64.5 -39.4 37.7 -23.3 1.2 76 96 A N H < S+ 0 0 106 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.757 115.8 49.1 -83.0 -12.6 41.3 -24.5 1.2 77 97 A T H < S+ 0 0 110 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.776 119.6 34.7 -79.6 -32.5 42.0 -22.6 4.5 78 98 A T S < S- 0 0 39 -4,-2.5 17,-0.0 2,-0.1 0, 0.0 -0.491 93.1-103.1-113.9-178.8 38.9 -23.9 6.3 79 99 A G S S+ 0 0 82 -2,-0.2 -4,-0.1 2,-0.0 -1,-0.0 0.823 72.2 139.6 -67.6 -18.7 37.1 -27.2 6.2 80 100 A V - 0 0 24 -6,-0.2 -2,-0.1 1,-0.1 16,-0.1 0.259 57.4-119.0 -61.5 137.4 34.4 -25.8 4.0 81 101 A E - 0 0 80 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.328 37.0-114.8 -50.9 141.6 32.7 -27.5 1.1 82 102 A K - 0 0 100 -7,-0.1 -1,-0.1 1,-0.0 -10,-0.1 -0.764 31.2-120.9 -86.2 125.2 33.3 -25.5 -2.1 83 103 A P - 0 0 9 0, 0.0 36,-0.1 0, 0.0 -1,-0.0 -0.308 4.1-137.3 -62.6 147.5 30.1 -24.1 -3.5 84 104 A K S S+ 0 0 119 34,-0.4 35,-0.1 1,-0.1 34,-0.0 0.647 96.0 26.9 -71.4 -20.2 29.0 -25.1 -7.0 85 105 A F S S- 0 0 94 33,-0.1 -1,-0.1 0, 0.0 33,-0.0 0.520 103.5 -97.4-125.8 -23.1 28.0 -21.4 -7.7 86 106 A L - 0 0 46 -15,-0.0 -18,-0.1 -18,-0.0 -2,-0.1 0.335 39.0-143.2 103.5 91.3 29.6 -18.6 -6.0 87 107 A P - 0 0 3 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.068 17.2-112.6 -86.7-169.9 27.7 -17.3 -3.1 88 108 A D S S+ 0 0 2 10,-2.2 -29,-3.0 1,-0.3 -28,-2.1 0.822 84.6 4.9 -98.0 -38.9 27.4 -13.7 -1.8 89 109 A L E -AB 58 98A 0 9,-2.3 9,-2.4 -31,-0.2 2,-0.4 -0.941 54.6-135.2-139.4 160.9 29.2 -13.7 1.5 90 110 A Y E -AB 57 97A 0 -33,-2.0 -33,-2.7 -2,-0.3 2,-0.7 -0.998 16.5-149.9-117.8 133.0 31.4 -15.7 3.8 91 111 A D E >> -AB 56 96A 0 5,-3.0 5,-1.4 -2,-0.4 4,-0.8 -0.864 7.4-169.9 -99.1 103.8 30.7 -15.7 7.6 92 112 A Y T 45S+ 0 0 113 -37,-2.6 -1,-0.1 -2,-0.7 -36,-0.1 0.706 85.1 53.5 -65.5 -19.9 33.9 -16.2 9.5 93 113 A K T 45S+ 0 0 149 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.957 119.8 27.3 -81.3 -53.0 31.9 -16.6 12.7 94 114 A E T 45S- 0 0 95 2,-0.2 -2,-0.2 48,-0.0 -1,-0.2 0.420 105.9-130.2 -92.5 0.7 29.5 -19.3 11.8 95 115 A N T <5 + 0 0 71 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.922 65.0 107.4 46.2 63.4 32.1 -20.6 9.2 96 116 A R E < -B 91 0A 20 -5,-1.4 -5,-3.0 -16,-0.1 2,-0.2 -0.991 68.2-109.7-159.4 152.6 29.8 -20.8 6.2 97 117 A F E -B 90 0A 3 -2,-0.3 27,-2.8 -7,-0.2 2,-0.4 -0.512 32.8-148.7 -77.3 155.7 29.0 -19.1 2.9 98 118 A I E -Bc 89 124A 0 -9,-2.4 -9,-2.3 25,-0.2 -10,-2.2 -0.997 9.7-153.2-131.9 134.1 25.7 -17.3 2.6 99 119 A E E - c 0 125A 10 25,-2.6 27,-2.8 -2,-0.4 2,-0.4 -0.953 19.2-159.2 -99.0 120.0 23.5 -16.7 -0.5 100 120 A I E - c 0 126A 0 -2,-0.5 2,-0.3 25,-0.2 27,-0.2 -0.802 9.2-172.3 -99.6 138.1 21.4 -13.5 -0.0 101 121 A G E - c 0 127A 0 25,-2.5 27,-2.6 -2,-0.4 2,-0.4 -0.973 14.3-168.0-127.7 149.4 18.2 -13.0 -2.1 102 122 A V E - c 0 128A 14 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.995 24.2-176.4-130.2 125.1 16.0 -10.0 -2.4 103 123 A T E - c 0 129A 0 25,-2.5 27,-1.1 -2,-0.4 4,-0.1 -0.936 40.5-161.9-132.2 146.7 12.7 -10.8 -4.1 104 124 A R S S+ 0 0 48 -2,-0.4 2,-0.1 25,-0.2 -1,-0.1 0.411 83.8 67.7 -96.4 2.7 9.5 -9.2 -5.3 105 125 A R S S- 0 0 67 1,-0.2 25,-0.2 71,-0.1 2,-0.1 -0.325 108.7 -50.5-103.4-173.0 7.7 -12.6 -5.3 106 126 A E > - 0 0 144 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.398 49.9-135.6 -60.6 132.6 6.7 -14.9 -2.4 107 127 A V H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.887 101.9 51.6 -67.2 -37.5 9.7 -15.4 -0.1 108 128 A H H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 109.2 51.6 -63.5 -40.8 9.2 -19.2 0.3 109 129 A T H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.960 114.4 42.4 -55.7 -52.0 9.0 -19.6 -3.5 110 130 A Y H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 111.9 54.6 -64.9 -44.9 12.3 -17.7 -4.0 111 131 A Y H X S+ 0 0 36 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.903 110.5 45.0 -54.5 -50.4 14.0 -19.4 -1.1 112 132 A L H X S+ 0 0 93 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.884 109.1 56.1 -69.2 -37.0 13.3 -22.9 -2.4 113 133 A E H X S+ 0 0 59 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.939 111.9 44.2 -49.8 -48.5 14.3 -21.9 -5.9 114 134 A K H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.928 113.0 50.1 -66.4 -46.2 17.7 -20.8 -4.4 115 135 A A H X S+ 0 0 30 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.929 112.8 48.2 -56.2 -46.7 18.0 -24.0 -2.3 116 136 A N H < S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.789 111.8 49.5 -65.7 -33.6 17.2 -26.2 -5.4 117 137 A K H < S+ 0 0 75 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.937 116.8 38.4 -68.1 -50.1 19.8 -24.3 -7.5 118 138 A I H < S- 0 0 9 -4,-2.5 -34,-0.4 -5,-0.2 -2,-0.2 0.707 81.3-162.1 -80.9 -20.5 22.7 -24.5 -5.1 119 139 A K < + 0 0 139 -4,-1.9 2,-0.4 -5,-0.2 -3,-0.1 0.847 38.5 141.2 40.3 55.4 22.1 -28.1 -3.7 120 140 A S - 0 0 28 -5,-0.3 -1,-0.2 3,-0.1 -2,-0.1 -0.967 47.3-162.5-124.6 141.8 24.2 -27.5 -0.7 121 141 A E S S+ 0 0 127 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 0.523 94.7 44.4 -93.9 -4.9 23.7 -28.7 2.9 122 142 A K S S+ 0 0 118 2,-0.1 2,-0.3 -26,-0.0 -1,-0.1 0.684 85.6 92.1-113.0 -24.9 26.2 -26.1 4.2 123 143 A T - 0 0 14 -27,-0.1 2,-0.3 -5,-0.1 -25,-0.2 -0.598 69.2-137.1 -84.0 131.2 25.5 -22.8 2.5 124 144 A H E -c 98 0A 10 -27,-2.8 -25,-2.6 -2,-0.3 2,-0.4 -0.657 13.5-151.2 -88.4 142.0 23.1 -20.7 4.4 125 145 A I E -c 99 0A 6 -2,-0.3 12,-2.1 -27,-0.2 2,-0.4 -0.961 13.2-177.4-112.8 132.0 20.3 -18.8 2.5 126 146 A H E -cD 100 136A 0 -27,-2.8 -25,-2.5 -2,-0.4 2,-0.4 -0.968 7.6-170.5-132.7 115.6 18.8 -15.5 3.7 127 147 A I E -cD 101 135A 0 8,-3.0 8,-1.8 -2,-0.4 2,-0.3 -0.899 2.0-170.2-109.2 132.8 15.9 -14.0 1.6 128 148 A F E -cD 102 134A 1 -27,-2.6 -25,-2.5 -2,-0.4 2,-0.3 -0.895 5.6-157.7-116.1 151.4 14.4 -10.5 2.0 129 149 A S E > -c 103 0A 5 4,-1.7 3,-0.8 -2,-0.3 -25,-0.2 -0.788 31.0-117.2-120.9 167.3 11.3 -9.2 0.4 130 150 A F T 3 S+ 0 0 6 -27,-1.1 -26,-0.1 -2,-0.3 29,-0.1 0.512 113.5 63.1 -79.0 -4.9 10.2 -5.7 -0.3 131 151 A T T 3 S- 0 0 88 2,-0.1 -1,-0.2 25,-0.0 3,-0.1 0.470 120.3-105.1 -91.1 -8.8 7.2 -6.3 2.0 132 152 A G S < S+ 0 0 18 -3,-0.8 2,-0.2 1,-0.4 -2,-0.1 0.429 78.5 134.4 97.7 0.0 9.4 -6.8 5.0 133 153 A E - 0 0 105 19,-0.1 -4,-1.7 2,-0.0 -1,-0.4 -0.553 31.3-177.6 -73.3 144.8 9.0 -10.6 5.0 134 154 A E E -D 128 0A 25 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.943 14.1-167.5-138.5 157.4 12.3 -12.6 5.4 135 155 A M E -D 127 0A 34 -8,-1.8 -8,-3.0 -2,-0.3 2,-0.3 -0.945 8.6-177.3-146.3 131.7 13.2 -16.3 5.5 136 156 A A E > -D 126 0A 5 -2,-0.3 3,-2.1 -10,-0.2 -10,-0.2 -0.978 39.5 -84.1-133.0 151.9 16.5 -17.8 6.6 137 157 A T G > S- 0 0 20 -12,-2.1 3,-2.0 -2,-0.3 -13,-0.0 -0.203 112.2 -4.4 -57.1 129.2 17.9 -21.4 6.6 138 158 A K G 3 S- 0 0 185 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.700 119.5 -77.6 62.3 21.2 16.8 -23.3 9.8 139 159 A A G < S+ 0 0 72 -3,-2.1 2,-0.6 1,-0.2 -1,-0.3 0.838 96.1 140.8 51.4 35.5 15.2 -20.0 11.1 140 160 A D < - 0 0 64 -3,-2.0 -1,-0.2 -4,-0.1 -3,-0.1 -0.935 31.4-175.0-106.9 109.9 18.7 -18.9 12.0 141 161 A Y - 0 0 70 -2,-0.6 2,-3.0 1,-0.2 -1,-0.1 0.428 13.7-156.6 -95.5 -6.2 18.7 -15.2 11.0 142 162 A T + 0 0 24 -6,-0.0 2,-0.2 -48,-0.0 -1,-0.2 -0.226 67.4 66.4 68.7 -58.8 22.5 -14.5 11.7 143 163 A L S S- 0 0 21 -2,-3.0 -2,-0.1 1,-0.1 -91,-0.0 -0.593 91.2-100.7 -89.8 157.2 22.2 -10.8 12.3 144 164 A D > - 0 0 100 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.153 39.8 -93.8 -70.7 167.0 20.4 -9.1 15.2 145 165 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.876 121.6 45.6 -51.4 -46.4 16.9 -7.6 15.0 146 166 A E H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 109.3 54.7 -74.9 -31.5 18.0 -4.0 14.3 147 167 A S H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 113.8 42.2 -64.1 -42.8 20.5 -4.9 11.6 148 168 A R H X S+ 0 0 18 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.900 111.8 54.5 -70.2 -38.3 17.7 -6.8 9.8 149 169 A A H X S+ 0 0 47 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.877 103.9 55.7 -59.9 -38.8 15.2 -4.1 10.4 150 170 A R H X S+ 0 0 130 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.885 109.2 48.1 -61.4 -40.4 17.6 -1.5 8.8 151 171 A I H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.942 111.2 48.5 -61.9 -46.8 17.7 -3.7 5.6 152 172 A K H X S+ 0 0 43 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.886 110.7 52.9 -61.6 -35.5 14.0 -4.0 5.5 153 173 A T H X S+ 0 0 81 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.888 107.4 50.2 -67.1 -44.7 13.7 -0.2 6.0 154 174 A R H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.884 108.0 54.2 -57.3 -41.4 16.0 0.5 3.1 155 175 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.896 108.9 48.4 -61.1 -43.7 13.9 -1.9 0.9 156 176 A F H X S+ 0 0 70 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.906 108.7 53.9 -61.1 -39.6 10.8 0.1 1.8 157 177 A T H X S+ 0 0 52 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.913 109.8 47.6 -62.7 -44.0 12.6 3.3 0.9 158 178 A I H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.947 112.5 49.1 -58.9 -50.0 13.5 1.9 -2.5 159 179 A R H X S+ 0 0 84 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.933 113.4 45.0 -53.2 -50.8 9.9 0.8 -3.1 160 180 A Q H X S+ 0 0 118 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.877 112.5 51.2 -65.6 -40.7 8.4 4.2 -2.1 161 181 A E H X S+ 0 0 62 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.902 112.0 48.4 -64.5 -38.8 10.9 6.1 -4.1 162 182 A M H ><>S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.2 3,-1.0 0.925 110.4 50.9 -57.4 -44.4 10.1 3.8 -7.1 163 183 A A H ><5S+ 0 0 53 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.912 101.8 61.5 -62.6 -37.6 6.4 4.4 -6.6 164 184 A S H 3<5S+ 0 0 93 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.778 109.9 41.7 -60.6 -30.7 7.0 8.1 -6.5 165 185 A R T <<5S- 0 0 64 -3,-1.0 -162,-3.1 -4,-0.8 -1,-0.3 0.234 117.3-109.9 -97.8 7.7 8.2 7.9 -10.1 166 186 A G T < 5S+ 0 0 26 -3,-2.3 4,-0.3 -164,-0.2 -3,-0.2 0.651 89.5 115.1 65.7 24.4 5.6 5.5 -11.3 167 187 A L >< + 0 0 15 -5,-2.9 4,-2.0 -6,-0.2 -4,-0.2 0.554 50.2 78.1 -99.8 -12.7 8.3 2.7 -11.5 168 188 A W H > S+ 0 0 47 -6,-0.6 4,-3.1 1,-0.2 5,-0.3 0.920 85.0 59.5 -70.0 -47.4 7.0 0.3 -8.8 169 189 A D H > S+ 0 0 92 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.919 113.6 36.9 -47.8 -49.4 4.2 -1.4 -10.8 170 190 A S H >> S+ 0 0 64 -4,-0.3 4,-1.0 2,-0.2 3,-0.5 0.938 116.3 51.8 -70.3 -47.3 6.5 -2.6 -13.5 171 191 A F H >< S+ 0 0 1 -4,-2.0 3,-0.7 1,-0.2 4,-0.2 0.907 110.8 48.5 -55.3 -48.3 9.4 -3.4 -11.2 172 192 A R H 3< S+ 0 0 113 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.714 114.8 45.7 -67.1 -24.7 7.3 -5.5 -8.9 173 193 A Q H << S+ 0 0 126 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.547 98.8 71.6 -93.5 -11.7 5.7 -7.5 -11.7 174 194 A S << + 0 0 53 -4,-1.0 2,-0.5 -3,-0.7 -1,-0.2 0.383 62.3 115.9 -96.3 8.5 8.8 -8.3 -13.7 175 195 A E - 0 0 26 -3,-0.3 2,-0.2 -4,-0.2 -72,-0.0 -0.601 39.4-178.0 -82.6 125.1 10.6 -10.9 -11.6 176 196 A R - 0 0 224 -2,-0.5 2,-0.1 1,-0.1 -71,-0.1 -0.693 36.1 -88.6-108.8 165.2 11.0 -14.3 -13.2 177 197 A G 0 0 35 -2,-0.2 -1,-0.1 1,-0.1 -67,-0.0 -0.429 360.0 360.0 -60.9 149.5 12.6 -17.5 -11.9 178 198 A E 0 0 123 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.563 360.0 360.0 -73.0 360.0 16.3 -17.8 -12.6 179 !* 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 -2 B L 0 0 191 0, 0.0 169,-0.2 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 -96.7 64.6 -35.9 -12.5 181 -1 B G - 0 0 45 167,-2.4 2,-0.5 1,-0.1 167,-0.0 -0.074 360.0 -78.9 -92.9-167.9 64.6 -32.1 -12.1 182 0 B S > - 0 0 52 1,-0.2 4,-2.0 -2,-0.0 5,-0.1 -0.868 21.6-163.6-105.9 123.1 61.9 -29.6 -10.9 183 1 B M H > S+ 0 0 10 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.905 93.5 58.8 -70.5 -37.8 59.2 -28.5 -13.3 184 2 B E H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 107.1 47.1 -55.4 -52.7 58.4 -25.4 -11.0 185 3 B D H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.919 112.1 51.5 -48.2 -47.7 62.1 -24.2 -11.4 186 4 B F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.4 0.945 109.6 48.6 -57.3 -51.2 61.9 -24.7 -15.2 187 5 B V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.918 112.0 48.0 -57.4 -46.5 58.6 -22.7 -15.5 188 6 B R H < S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.681 119.8 39.1 -75.9 -21.7 59.9 -19.7 -13.5 189 7 B Q H < S+ 0 0 101 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.806 118.5 45.8 -85.6 -37.0 63.2 -19.6 -15.5 190 8 B C H < S+ 0 0 24 -4,-2.8 2,-0.3 -5,-0.2 -2,-0.2 0.773 104.6 61.5 -81.8 -33.9 61.8 -20.4 -19.0 191 9 B F S < S- 0 0 7 -4,-2.0 5,-0.1 -5,-0.2 31,-0.0 -0.736 91.3-100.7-103.4 145.9 58.7 -18.1 -19.1 192 10 B N >> - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.315 36.2-117.0 -57.3 142.5 58.6 -14.3 -18.9 193 11 B P H 3> S+ 0 0 94 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.826 114.0 58.9 -57.9 -30.1 57.5 -13.1 -15.4 194 12 B M H 3> S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.917 108.8 44.9 -61.4 -47.4 54.3 -11.5 -16.8 195 13 B I H <> S+ 0 0 8 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.876 110.6 52.6 -61.6 -43.3 53.2 -14.9 -18.1 196 14 B V H X S+ 0 0 11 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.920 109.3 51.8 -62.4 -44.8 54.2 -16.7 -14.9 197 15 B E H X S+ 0 0 126 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.923 110.1 47.1 -53.0 -49.5 52.0 -14.1 -13.0 198 16 B L H X S+ 0 0 46 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.876 111.3 52.2 -64.4 -34.5 49.0 -14.7 -15.2 199 17 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.921 108.8 49.9 -67.5 -46.2 49.4 -18.4 -14.9 200 18 B E H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.895 109.5 52.0 -58.6 -41.0 49.5 -18.2 -11.1 201 19 B K H X S+ 0 0 76 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.920 110.1 49.9 -61.9 -43.1 46.3 -16.0 -11.2 202 20 B A H X S+ 0 0 34 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.866 112.7 44.6 -61.5 -44.0 44.6 -18.7 -13.3 203 21 B M H ><>S+ 0 0 1 -4,-2.0 5,-2.4 1,-0.2 3,-1.6 0.925 111.0 53.6 -67.8 -45.8 45.6 -21.6 -11.0 204 22 B K H ><5S+ 0 0 93 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.779 98.5 65.9 -61.5 -25.7 44.6 -19.7 -7.8 205 23 B E H 3<5S+ 0 0 12 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.797 108.8 38.6 -60.1 -32.2 41.2 -19.1 -9.4 206 24 B Y T <<5S- 0 0 135 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.220 121.4-103.1-109.3 15.9 40.6 -22.8 -9.2 207 25 B G T < 5S+ 0 0 25 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.679 75.8 138.8 80.2 15.5 42.3 -23.4 -5.8 208 26 B E < - 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