==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-AUG-08 3E9S . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR A.D.MESECAR,K.RATIA,S.PEGAN . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 24.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 4 0 4 3 1 2 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 . 2 0 0 2 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 A 0 0 143 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.6 17.7 -3.1 13.0 2 0 A S - 0 0 67 1,-0.1 2,-0.9 3,-0.0 0, 0.0 -0.326 360.0-127.1 -54.3 112.5 20.8 -2.1 11.0 3 1 A M + 0 0 190 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.515 68.2 96.6 -68.5 103.9 22.5 0.7 13.0 4 2 A E S S- 0 0 129 -2,-0.9 2,-0.4 2,-0.0 0, 0.0 -0.953 85.6 -47.3-170.9 177.2 22.8 3.5 10.5 5 3 A V + 0 0 119 -2,-0.3 2,-0.4 20,-0.0 20,-0.0 -0.467 61.3 179.2 -63.6 119.1 21.2 6.7 9.3 6 4 A K + 0 0 73 -2,-0.4 20,-2.5 2,-0.0 2,-0.4 -0.985 10.5 165.3-130.4 124.4 17.5 5.8 8.8 7 5 A T E -A 25 0A 69 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.999 16.3-157.4-135.8 136.6 14.8 8.2 7.7 8 6 A I E -A 24 0A 12 16,-0.9 16,-2.3 -2,-0.4 2,-0.6 -0.747 21.6-112.3-113.2 164.3 11.4 7.2 6.4 9 7 A K E +A 23 0A 92 -2,-0.3 46,-4.0 14,-0.2 2,-0.3 -0.857 46.1 154.9 -98.9 115.2 8.9 9.0 4.2 10 8 A V E -A 22 0A 0 12,-2.4 12,-2.8 -2,-0.6 2,-0.4 -0.779 34.4-122.6-128.8 174.0 5.7 10.1 6.0 11 9 A F E -Ab 21 57A 39 45,-2.9 47,-3.5 -2,-0.3 2,-0.3 -0.959 15.3-158.6-124.7 141.3 3.2 12.9 5.4 12 10 A T E +Ab 20 58A 6 8,-2.2 8,-2.9 -2,-0.4 2,-0.3 -0.882 20.2 160.9-114.5 151.6 2.1 15.7 7.6 13 11 A T E - b 0 59A 0 45,-1.8 47,-1.8 -2,-0.3 6,-0.1 -0.986 37.4-159.2-161.5 163.4 -1.2 17.7 7.3 14 12 A V S S+ 0 0 0 4,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.529 101.9 29.0-120.0 -21.5 -3.6 20.0 9.1 15 13 A D S S- 0 0 4 3,-0.4 4,-0.1 59,-0.0 44,-0.1 0.394 96.0-124.3-119.8 -0.7 -6.7 19.3 6.9 16 14 A N S S+ 0 0 89 2,-0.3 3,-0.1 42,-0.1 -3,-0.0 0.681 100.0 77.2 63.1 17.2 -6.1 15.8 5.6 17 15 A T S S+ 0 0 83 1,-0.3 2,-0.7 0, 0.0 -1,-0.1 0.676 86.0 51.0-118.7 -49.7 -6.3 17.2 2.1 18 16 A N S S- 0 0 72 2,-0.0 2,-0.5 52,-0.0 -4,-0.4 -0.868 77.2-162.6 -94.1 114.7 -3.0 18.9 1.5 19 17 A L - 0 0 79 -2,-0.7 2,-0.7 -3,-0.1 -6,-0.2 -0.885 6.7-153.9-106.9 132.1 -0.2 16.4 2.4 20 18 A H E -A 12 0A 49 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.1 -0.895 17.1-132.5-107.7 111.1 3.3 17.5 3.0 21 19 A T E -A 11 0A 92 -2,-0.7 2,-0.4 -10,-0.2 -10,-0.2 -0.352 29.8-175.7 -61.1 132.5 6.0 14.9 2.4 22 20 A Q E -A 10 0A 64 -12,-2.8 -12,-2.4 -2,-0.1 2,-0.7 -0.997 24.1-148.9-136.2 136.3 8.5 14.7 5.2 23 21 A L E -A 9 0A 129 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.927 28.8-158.5-101.9 118.8 11.7 12.7 5.7 24 22 A V E -A 8 0A 0 -16,-2.3 -16,-0.9 -2,-0.7 2,-0.7 -0.770 17.5-125.9-104.2 148.0 12.0 11.9 9.4 25 23 A D E > -A 7 0A 61 -2,-0.3 3,-1.4 -18,-0.2 -18,-0.2 -0.785 13.7-154.8 -88.3 117.2 15.0 11.0 11.4 26 24 A M T 3 S+ 0 0 39 -20,-2.5 -1,-0.1 -2,-0.7 -19,-0.1 0.602 86.7 74.6 -68.8 -8.5 14.3 7.8 13.2 27 25 A S T 3 S+ 0 0 82 -21,-0.3 2,-0.3 21,-0.1 -1,-0.3 0.350 100.9 40.9 -85.6 5.4 16.9 8.7 15.9 28 26 A M S < S- 0 0 52 -3,-1.4 19,-0.0 19,-0.0 5,-0.0 -0.966 87.8 -94.5-148.1 163.6 14.5 11.3 17.4 29 27 A T > - 0 0 22 -2,-0.3 4,-0.8 19,-0.2 19,-0.3 -0.235 31.7-113.1 -77.2 167.6 10.8 11.7 18.3 30 28 A Y H >>>S+ 0 0 0 17,-2.0 4,-3.7 14,-0.6 5,-1.0 0.876 116.7 59.6 -64.9 -38.6 8.0 13.3 16.3 31 29 A G H 3>5S+ 0 0 23 14,-2.6 4,-0.8 16,-0.3 -1,-0.2 0.890 102.0 52.7 -57.8 -40.6 7.8 16.1 18.8 32 30 A Q H 345S+ 0 0 117 13,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.731 122.0 30.4 -68.0 -23.9 11.4 17.0 18.2 33 31 A Q H <<5S+ 0 0 54 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.732 139.2 11.9-107.2 -30.1 10.9 17.3 14.5 34 32 A F H <5S- 0 0 35 -4,-3.7 27,-0.4 1,-0.3 -3,-0.2 0.545 90.9-129.7-124.0 -17.0 7.2 18.4 14.0 35 33 A G S < S- D 0 42A 26 3,-2.4 3,-2.0 -2,-0.3 19,-0.1 -0.950 87.4 -22.3-133.7 107.8 -1.8 9.5 14.1 40 38 A D T 3 S- 0 0 106 -2,-0.4 3,-0.1 17,-0.3 54,-0.1 0.885 127.3 -53.4 57.8 38.6 -5.6 8.8 13.9 41 39 A G T 3 S+ 0 0 3 1,-0.3 2,-0.4 50,-0.0 50,-0.3 0.288 111.8 125.2 81.7 -12.4 -6.1 11.1 16.8 42 40 A A E < -D 39 0A 35 -3,-2.0 -3,-2.4 48,-0.1 2,-0.5 -0.686 66.1-121.2 -83.6 128.8 -3.5 9.3 18.9 43 41 A D E +D 38 0A 96 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.567 38.7 166.1 -72.8 121.7 -0.8 11.5 20.3 44 42 A V > + 0 0 14 -7,-2.5 3,-0.9 -2,-0.5 -14,-0.6 0.050 37.0 117.9-122.3 22.3 2.6 10.3 19.1 45 43 A T T 3 S+ 0 0 15 -8,-0.6 -14,-2.6 1,-0.2 -13,-0.3 0.883 78.2 45.7 -56.0 -42.8 4.6 13.4 20.0 46 44 A K T 3 S+ 0 0 176 -16,-0.2 -1,-0.2 -17,-0.1 2,-0.2 0.537 100.3 80.4 -83.2 -8.7 6.7 11.6 22.5 47 45 A I S < S- 0 0 72 -3,-0.9 -17,-2.0 1,-0.0 -16,-0.3 -0.495 72.8-120.6 -98.1 169.6 7.6 8.5 20.4 48 46 A K - 0 0 110 -19,-0.3 -19,-0.2 -2,-0.2 -22,-0.1 -0.668 41.9 -82.1-102.1 160.5 10.1 7.8 17.7 49 47 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.169 38.5-156.7 -62.0 152.7 9.4 6.7 14.1 50 48 A H > - 0 0 94 1,-0.1 3,-2.4 0, 0.0 4,-0.3 -0.946 28.9-120.8-129.5 150.6 8.7 3.0 13.1 51 49 A V G > S+ 0 0 109 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.782 113.9 68.5 -60.4 -25.3 9.1 1.3 9.7 52 50 A N G 3 S+ 0 0 120 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.692 92.4 63.5 -65.3 -18.0 5.4 0.6 10.1 53 51 A H G X + 0 0 22 -3,-2.4 3,-2.6 2,-0.1 -1,-0.3 0.585 68.8 127.1 -84.6 -13.5 4.9 4.3 9.6 54 52 A E T < S+ 0 0 98 -3,-1.4 -44,-0.2 -4,-0.3 3,-0.1 -0.200 83.3 6.2 -49.3 127.5 6.3 4.6 6.1 55 53 A G T 3 S+ 0 0 31 -46,-4.0 -1,-0.3 1,-0.2 -45,-0.2 0.445 98.0 135.4 79.1 -0.4 3.8 6.4 3.9 56 54 A K < - 0 0 90 -3,-2.6 -45,-2.9 -47,-0.2 2,-0.5 -0.438 53.6-122.0 -82.7 156.6 1.4 7.2 6.7 57 55 A T E -b 11 0A 43 -47,-0.2 2,-0.4 -2,-0.1 -17,-0.3 -0.854 26.5-167.9-102.2 130.4 -0.3 10.6 7.3 58 56 A F E -b 12 0A 0 -47,-3.5 -45,-1.8 -2,-0.5 2,-0.4 -0.908 17.3-130.9-118.9 143.8 0.2 12.5 10.5 59 57 A F E +bC 13 38A 22 -21,-2.7 -21,-2.8 -2,-0.4 2,-0.2 -0.751 30.6 173.4 -92.4 138.9 -1.6 15.5 11.9 60 58 A V E - C 0 37A 6 -47,-1.8 -23,-0.2 -2,-0.4 -25,-0.1 -0.759 33.7 -94.2-131.5 178.5 0.5 18.4 13.2 61 59 A L - 0 0 49 -25,-0.5 2,-2.2 -27,-0.4 3,-0.2 -0.654 47.2 -90.4 -98.0 156.4 -0.4 21.8 14.4 62 60 A P + 0 0 38 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.408 61.2 156.0 -65.5 83.7 -0.4 25.0 12.3 63 61 A S + 0 0 78 -2,-2.2 2,-0.3 -29,-0.1 -28,-0.0 0.600 58.1 34.5 -87.0 -14.1 3.3 25.9 13.0 64 62 A D S > S- 0 0 65 -3,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.875 90.0 -96.9-136.2 171.6 3.8 28.0 9.8 65 63 A D H > S+ 0 0 128 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.849 121.1 51.7 -53.9 -41.6 2.0 30.4 7.4 66 64 A T H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 113.8 43.7 -61.9 -49.5 1.2 27.6 5.0 67 65 A L H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.872 112.5 52.3 -64.1 -39.5 -0.3 25.5 7.7 68 66 A R H X S+ 0 0 123 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.927 112.5 45.6 -63.0 -45.0 -2.2 28.4 9.3 69 67 A S H X S+ 0 0 68 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.916 114.5 47.6 -64.0 -44.3 -3.7 29.3 5.9 70 68 A E H X S+ 0 0 27 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.933 113.3 47.5 -63.5 -47.0 -4.6 25.6 5.2 71 69 A A H X>S+ 0 0 11 -4,-2.9 4,-2.8 1,-0.2 5,-0.6 0.898 113.2 49.1 -61.1 -42.6 -6.2 25.0 8.6 72 70 A F H X5S+ 0 0 82 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.933 110.2 49.5 -64.8 -46.5 -8.2 28.3 8.4 73 71 A E H <5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 118.1 41.9 -60.6 -33.2 -9.5 27.5 4.9 74 72 A Y H <5S+ 0 0 27 -4,-1.8 60,-2.8 -5,-0.2 61,-0.3 0.925 130.3 19.5 -82.0 -49.4 -10.6 24.1 6.0 75 73 A Y H <5S- 0 0 2 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.699 87.4-137.9 -96.0 -23.6 -12.1 24.6 9.5 76 74 A H << + 0 0 66 -4,-2.1 2,-0.3 -5,-0.6 -4,-0.2 0.847 63.5 112.1 66.8 36.2 -12.8 28.3 9.3 77 75 A T - 0 0 31 -6,-0.3 -1,-0.3 2,-0.1 -2,-0.2 -0.951 54.6-159.5-135.7 158.2 -11.6 29.0 12.9 78 76 A L + 0 0 145 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.301 51.0 130.2-115.2 1.9 -8.6 30.9 14.4 79 77 A D > - 0 0 81 1,-0.2 3,-1.6 2,-0.1 4,-0.4 -0.462 50.4-152.3 -61.7 112.5 -8.8 29.1 17.7 80 78 A E T 3 S+ 0 0 189 -2,-0.5 4,-0.3 1,-0.3 3,-0.2 0.755 93.0 50.4 -58.9 -28.4 -5.2 28.0 18.2 81 79 A S T 3> S+ 0 0 59 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.423 84.4 96.0 -92.7 2.3 -6.2 24.9 20.3 82 80 A F H <> S+ 0 0 5 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.933 80.9 48.1 -56.9 -56.7 -8.8 23.7 17.8 83 81 A L H > S+ 0 0 8 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.897 114.8 49.3 -53.6 -42.5 -6.7 21.1 15.9 84 82 A G H > S+ 0 0 16 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.925 111.1 45.2 -64.7 -49.2 -5.6 19.7 19.3 85 83 A R H X S+ 0 0 48 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.831 113.2 54.7 -65.3 -29.5 -9.0 19.4 20.9 86 84 A Y H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.944 110.5 42.0 -68.0 -51.1 -10.3 17.9 17.6 87 85 A M H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.919 114.4 54.1 -61.8 -43.8 -7.6 15.1 17.5 88 86 A S H < S+ 0 0 66 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.915 112.9 41.7 -56.7 -46.1 -8.1 14.5 21.2 89 87 A A H >X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 3,-1.3 0.862 111.2 56.0 -70.8 -36.4 -11.9 14.1 20.7 90 88 A L H 3X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.808 93.7 68.9 -65.8 -30.1 -11.5 12.0 17.6 91 89 A N H 3< S+ 0 0 45 -4,-1.9 -1,-0.3 -50,-0.3 -2,-0.2 0.778 113.0 31.3 -59.3 -24.1 -9.3 9.6 19.5 92 90 A H H X4 S+ 0 0 84 -3,-1.3 3,-2.6 -4,-0.4 4,-0.3 0.856 114.1 55.8 -97.8 -51.6 -12.5 8.7 21.4 93 91 A T H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -3,-0.2 0.763 95.6 68.6 -57.3 -25.7 -15.3 9.2 18.8 94 92 A K T 3< S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.1 0.706 98.0 53.7 -67.6 -15.6 -13.5 6.8 16.4 95 93 A K T < S+ 0 0 129 -3,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.506 89.7 102.4 -94.3 -5.4 -14.4 4.0 19.0 96 94 A W S < S- 0 0 22 -3,-1.3 2,-0.4 -4,-0.3 52,-0.1 -0.319 72.0-119.4 -76.2 160.3 -18.1 4.8 19.0 97 95 A K - 0 0 124 11,-0.3 11,-3.2 -2,-0.1 -2,-0.1 -0.874 19.1-166.6-105.5 133.6 -20.8 2.8 17.2 98 96 A F + 0 0 32 -2,-0.4 9,-0.2 9,-0.2 2,-0.1 -0.738 15.5 178.7-120.8 80.8 -22.9 4.5 14.5 99 97 A P - 0 0 41 0, 0.0 7,-2.7 0, 0.0 2,-0.5 -0.361 32.6-112.4 -79.4 161.2 -25.9 2.2 13.7 100 98 A Q E +E 105 0B 101 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.836 38.6 177.9 -93.9 126.8 -28.6 3.1 11.2 101 99 A V E > -E 104 0B 12 3,-3.1 3,-2.1 -2,-0.5 191,-0.1 -0.986 69.2 -9.8-134.0 123.2 -32.0 3.6 12.9 102 100 A G T 3 S- 0 0 17 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.773 128.6 -60.5 62.9 22.2 -35.1 4.6 11.1 103 101 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.491 118.3 107.4 83.7 2.1 -32.9 5.1 8.1 104 102 A L E < S-E 101 0B 24 -3,-2.1 -3,-3.1 41,-0.0 2,-0.5 -0.830 78.4-107.0-113.6 152.3 -30.8 7.8 9.9 105 103 A T E +E 100 0B 0 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.675 48.1 172.6 -78.6 124.4 -27.3 7.6 11.3 106 104 A S - 0 0 0 -7,-2.7 2,-0.4 -2,-0.5 185,-0.1 -0.593 26.9-116.4-119.9-177.8 -27.6 7.4 15.1 107 105 A I - 0 0 0 -9,-0.2 -9,-0.2 -2,-0.2 2,-0.1 -0.983 18.2-124.1-132.1 127.3 -25.0 6.9 17.8 108 106 A K - 0 0 105 -11,-3.2 -11,-0.3 -2,-0.4 182,-0.1 -0.456 50.1 -96.2 -63.4 134.8 -24.8 4.0 20.3 109 107 A W + 0 0 123 180,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.241 65.2 134.3 -59.1 138.1 -24.8 5.6 23.7 110 108 A A > + 0 0 26 -3,-0.1 3,-0.7 -14,-0.0 53,-0.2 -0.782 64.6 11.1 179.1 135.8 -21.4 6.2 25.4 111 109 A D T 3 S- 0 0 71 1,-0.2 52,-1.0 -2,-0.2 -2,-0.0 0.762 124.1 -65.1 59.9 30.8 -19.8 9.2 27.3 112 110 A N T 3 S+ 0 0 56 1,-0.1 3,-0.5 50,-0.1 54,-0.4 0.914 89.5 149.3 59.8 43.4 -23.1 11.1 27.5 113 111 A N <> + 0 0 2 -3,-0.7 4,-1.8 1,-0.2 3,-0.3 0.194 33.3 106.4 -92.2 16.3 -23.2 11.4 23.7 114 112 A X H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 77.7 53.2 -64.3 -34.5 -27.0 11.4 23.6 115 113 A Y H > S+ 0 0 3 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.818 109.3 49.6 -70.0 -28.8 -27.1 15.1 22.8 116 114 A L H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.833 108.3 52.6 -76.2 -33.8 -24.7 14.5 19.9 117 115 A S H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.879 109.4 49.9 -68.4 -37.8 -26.9 11.7 18.6 118 116 A S H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.896 110.7 49.2 -66.3 -40.8 -29.9 14.1 18.7 119 117 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.957 112.1 48.3 -62.4 -49.4 -28.0 16.8 16.8 120 118 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.873 112.5 48.3 -57.2 -43.6 -26.9 14.3 14.2 121 119 A L H X S+ 0 0 1 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.914 111.4 49.6 -66.3 -44.0 -30.4 12.9 13.7 122 120 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.2 0.936 107.8 54.1 -60.1 -49.2 -32.0 16.3 13.4 123 121 A L H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 5,-0.2 0.894 100.2 59.7 -53.1 -46.3 -29.4 17.5 10.8 124 122 A Q H 3< S+ 0 0 37 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.666 106.6 48.7 -60.7 -16.2 -30.1 14.6 8.5 125 123 A Q T << S+ 0 0 43 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.355 100.6 80.7-105.2 5.7 -33.7 15.6 8.2 126 124 A L S < S- 0 0 15 -3,-2.3 2,-1.5 -4,-0.2 118,-0.1 -0.848 81.7-121.5-114.3 148.2 -33.0 19.3 7.5 127 125 A E + 0 0 159 -2,-0.3 2,-0.4 116,-0.3 116,-0.2 -0.721 62.5 144.8 -84.0 93.5 -32.1 21.0 4.2 128 126 A V - 0 0 22 -2,-1.5 2,-0.4 -5,-0.2 53,-0.1 -0.996 33.6-163.8-138.7 141.6 -28.9 22.4 5.6 129 127 A K - 0 0 101 -2,-0.4 51,-4.3 51,-0.3 2,-0.3 -0.976 12.5-139.7-127.9 138.9 -25.5 23.1 4.2 130 128 A F B -F 179 0C 3 -2,-0.4 49,-0.3 49,-0.3 46,-0.1 -0.666 3.6-159.6 -94.5 151.0 -22.1 23.8 5.9 131 129 A N S S+ 0 0 41 47,-2.6 48,-0.2 -2,-0.3 -1,-0.1 0.764 72.0 86.1 -96.1 -35.3 -19.6 26.3 4.7 132 130 A A S >> S- 0 0 0 46,-1.1 4,-2.2 1,-0.2 3,-1.2 -0.571 72.5-146.6 -71.6 116.7 -16.6 24.9 6.4 133 131 A P H 3> S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.871 99.5 65.1 -49.6 -38.2 -15.1 22.2 4.1 134 132 A A H 3> S+ 0 0 1 -60,-2.8 4,-1.8 1,-0.2 5,-0.2 0.904 109.3 36.8 -50.8 -46.0 -14.2 20.4 7.3 135 133 A L H <> S+ 0 0 0 -3,-1.2 4,-2.3 -61,-0.3 5,-0.2 0.802 111.0 58.9 -80.2 -31.7 -17.8 20.0 8.1 136 134 A Q H X S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.962 113.6 39.4 -61.1 -48.4 -19.1 19.4 4.5 137 135 A E H X S+ 0 0 87 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.951 117.7 45.3 -65.3 -55.6 -16.8 16.4 4.2 138 136 A A H X S+ 0 0 7 -4,-1.8 4,-2.0 -5,-0.3 12,-0.4 0.896 114.1 51.9 -58.3 -40.1 -17.3 14.9 7.7 139 137 A Y H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.937 106.2 53.3 -62.7 -45.4 -21.0 15.5 7.4 140 138 A Y H X S+ 0 0 158 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.905 112.1 46.0 -54.7 -43.0 -21.1 13.6 4.0 141 139 A R H ><>S+ 0 0 91 -4,-2.1 5,-2.5 1,-0.2 3,-0.6 0.828 107.2 57.0 -70.6 -33.3 -19.4 10.7 5.6 142 140 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 5,-0.3 0.869 99.9 58.7 -65.7 -37.3 -21.6 10.7 8.7 143 141 A R H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.2 51.6 -63.7 -21.7 -24.7 10.3 6.5 144 142 A A T <<5S- 0 0 80 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.431 131.0 -95.3 -92.9 -2.1 -23.1 7.1 5.2 145 143 A G T < 5S+ 0 0 20 -3,-1.7 2,-0.7 -4,-0.2 -3,-0.2 0.392 98.7 106.6 105.1 -2.3 -22.6 5.8 8.8 146 144 A D < + 0 0 71 -5,-2.5 3,-0.3 1,-0.1 4,-0.3 -0.650 32.5 144.4-110.8 74.8 -19.0 6.9 9.4 147 145 A A > + 0 0 0 -2,-0.7 4,-2.5 -5,-0.3 5,-0.2 0.168 29.6 108.6 -99.9 16.7 -19.5 9.9 11.8 148 146 A A H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 88.0 42.2 -57.6 -46.3 -16.5 9.6 14.1 149 147 A N H > S+ 0 0 32 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.955 112.4 51.4 -64.4 -54.1 -15.0 12.7 12.5 150 148 A F H > S+ 0 0 0 -12,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.894 110.6 51.1 -52.3 -41.1 -18.1 14.7 12.3 151 149 A C H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.903 109.2 49.5 -64.7 -40.8 -18.7 14.0 16.0 152 150 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.856 109.7 51.8 -66.9 -35.4 -15.2 15.1 17.0 153 151 A L H X S+ 0 0 1 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.917 107.8 51.5 -67.8 -42.6 -15.6 18.4 15.0 154 152 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.950 111.2 48.6 -58.4 -48.4 -18.9 19.2 16.7 155 153 A L H <>S+ 0 0 1 -4,-2.1 5,-2.9 1,-0.2 -2,-0.2 0.944 114.5 45.7 -55.7 -49.7 -17.3 18.7 20.1 156 154 A A H ><5S+ 0 0 1 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.892 112.6 49.0 -62.6 -43.7 -14.3 20.9 19.1 157 155 A Y H 3<5S+ 0 0 28 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 116.6 41.5 -66.3 -36.1 -16.5 23.7 17.6 158 156 A S T 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.234 112.5-125.7 -94.9 14.8 -18.7 23.8 20.6 159 157 A N T < 5 + 0 0 100 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.853 62.6 135.3 42.0 52.5 -15.6 23.5 22.8 160 158 A K < - 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