==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 07-OCT-95 1FFD . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR C.CAMBILLAU,C.MARTINEZ,A.NICOLAS . 197 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 1 0 0 0 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 0 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 17 A R 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.2 5.0 67.3 33.2 2 18 A T + 0 0 46 1,-0.1 30,-2.2 30,-0.1 29,-2.2 0.435 360.0 66.0 -84.8 -3.6 5.9 64.0 31.4 3 19 A T + 0 0 44 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.983 55.5 165.9-123.5 122.5 4.4 61.7 34.1 4 20 A R + 0 0 43 -2,-0.5 52,-2.5 1,-0.0 3,-0.1 -0.990 12.0 165.9-136.9 122.9 0.6 61.6 34.7 5 21 A D B > +A 55 0A 50 -2,-0.4 4,-2.7 50,-0.2 5,-0.3 -0.261 24.4 142.0-126.4 46.9 -1.1 58.9 36.8 6 22 A D H > S+ 0 0 33 48,-2.2 4,-1.5 1,-0.2 49,-0.2 0.820 73.0 48.8 -60.0 -36.8 -4.5 60.6 37.3 7 23 A L H 4 S+ 0 0 0 47,-0.2 -1,-0.2 2,-0.2 48,-0.1 0.930 115.0 43.0 -69.4 -46.9 -6.5 57.4 36.9 8 24 A I H 4 S+ 0 0 76 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.905 121.9 40.8 -65.2 -39.5 -4.3 55.4 39.3 9 25 A N H < S+ 0 0 125 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.689 95.9 107.6 -81.5 -22.1 -4.2 58.3 41.8 10 26 A G S < S- 0 0 14 -4,-1.5 2,-0.5 -5,-0.3 5,-0.1 -0.237 70.5-119.3 -67.9 146.8 -7.8 59.3 41.5 11 27 A N > - 0 0 116 3,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.714 11.8-146.9 -83.8 126.2 -10.6 58.8 44.0 12 28 A S G > S+ 0 0 78 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.719 99.1 63.7 -64.7 -22.0 -13.5 56.7 42.7 13 29 A A G 3 S+ 0 0 102 1,-0.3 -1,-0.3 80,-0.0 -2,-0.0 0.659 112.1 36.4 -76.1 -14.0 -15.9 58.7 44.7 14 30 A S G < S+ 0 0 77 -3,-1.8 -1,-0.3 2,-0.0 -3,-0.2 -0.380 85.1 175.8-135.4 57.6 -14.9 61.7 42.6 15 31 A a < - 0 0 44 -3,-0.8 2,-0.1 77,-0.1 -3,-0.1 -0.302 30.3-119.2 -63.6 143.6 -14.4 60.3 39.1 16 32 A R - 0 0 3 1,-0.1 35,-0.2 2,-0.1 36,-0.2 -0.393 16.9-126.6 -76.5 160.9 -13.6 62.6 36.2 17 33 A D S S+ 0 0 89 34,-0.9 80,-2.8 1,-0.2 2,-0.4 0.749 95.7 38.3 -77.7 -28.2 -16.1 62.7 33.3 18 34 A V E -bc 52 97A 2 33,-1.8 35,-2.6 78,-0.2 2,-0.5 -0.989 65.6-167.1-128.5 135.7 -13.4 62.0 30.8 19 35 A I E -bc 53 98A 0 78,-2.1 80,-1.9 -2,-0.4 2,-0.5 -0.989 6.7-162.5-125.3 121.3 -10.3 59.7 31.1 20 36 A F E -bc 54 99A 0 33,-3.1 35,-2.9 -2,-0.5 2,-0.5 -0.920 2.9-168.3-107.0 123.7 -7.5 59.9 28.6 21 37 A I E -bc 55 100A 0 78,-2.2 80,-1.6 -2,-0.5 2,-0.4 -0.961 12.3-176.3-115.9 124.2 -5.1 57.0 28.3 22 38 A Y E -bc 56 101A 0 33,-2.2 35,-2.0 -2,-0.5 2,-0.5 -0.970 19.0-153.4-130.9 137.6 -1.9 57.6 26.3 23 39 A A E - c 0 102A 0 78,-2.2 80,-1.9 -2,-0.4 9,-0.1 -0.921 21.5-140.0-110.1 122.9 1.1 55.5 25.2 24 40 A R - 0 0 3 -2,-0.5 82,-0.3 7,-0.4 9,-0.1 -0.125 21.4 -98.4 -74.4 171.4 4.4 57.2 24.5 25 41 A G > - 0 0 0 1,-0.2 3,-1.7 80,-0.2 79,-0.1 -0.262 57.1 -59.5 -83.5 175.1 7.0 56.6 21.7 26 42 A S T 3 S- 0 0 24 1,-0.3 38,-0.2 38,-0.1 -1,-0.2 -0.223 118.7 -0.5 -59.1 134.5 10.2 54.6 21.8 27 43 A T T 3 S+ 0 0 111 36,-3.1 -1,-0.3 35,-0.2 2,-0.1 0.538 95.1 144.3 65.1 8.0 12.8 55.8 24.3 28 44 A E < - 0 0 26 -3,-1.7 -1,-0.2 35,-0.1 2,-0.1 -0.401 47.3-109.6 -76.7 157.7 10.6 58.7 25.5 29 45 A T S > S- 0 0 92 -3,-0.1 4,-1.9 -2,-0.1 3,-0.5 -0.375 71.0 -4.0 -89.2 164.4 10.5 59.8 29.2 30 46 A G T 4 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.279 105.6 -65.8 58.4-144.1 8.0 59.5 31.9 31 47 A N T 4 S+ 0 0 6 -29,-2.2 26,-0.8 2,-0.1 -7,-0.4 0.360 132.6 47.3-120.6 4.5 4.7 58.0 30.7 32 48 A L T > S- 0 0 0 -30,-2.2 4,-1.7 -3,-0.5 3,-0.4 0.585 81.5-171.1-116.9 -20.0 3.7 60.8 28.4 33 49 A G T < - 0 0 1 -4,-1.9 -1,-0.1 -31,-0.6 -2,-0.1 -0.164 55.1 -34.6 61.6-149.9 6.8 61.5 26.4 34 50 A T T 4 S+ 0 0 100 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.789 137.7 35.1 -80.2 -33.3 7.1 64.5 24.0 35 51 A L T >> S+ 0 0 10 -3,-0.4 4,-1.6 2,-0.1 3,-0.6 0.802 99.8 73.4 -92.0 -34.5 3.5 64.7 22.7 36 52 A G H 3X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.863 91.6 55.3 -49.9 -48.4 1.4 63.7 25.6 37 53 A P H 3> S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.859 106.7 51.5 -57.5 -37.8 1.8 66.9 27.7 38 54 A S H <> S+ 0 0 37 -3,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.907 112.5 45.3 -65.4 -43.6 0.6 69.1 24.8 39 55 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 3,-0.2 0.962 113.1 51.6 -64.0 -48.2 -2.5 67.0 24.3 40 56 A A H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.899 105.7 53.7 -55.1 -47.8 -3.2 66.9 28.1 41 57 A S H X S+ 0 0 66 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.900 110.8 46.7 -55.7 -43.2 -2.9 70.7 28.5 42 58 A N H X S+ 0 0 61 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.816 109.8 52.7 -71.8 -31.3 -5.6 71.3 25.8 43 59 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.905 108.6 51.6 -69.5 -38.6 -7.9 68.6 27.3 44 60 A E H X S+ 0 0 49 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.873 107.1 52.7 -65.0 -38.4 -7.7 70.3 30.7 45 61 A S H < S+ 0 0 100 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.897 114.7 43.2 -63.3 -38.3 -8.6 73.7 29.1 46 62 A A H < S+ 0 0 33 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 130.4 20.3 -75.8 -44.1 -11.6 72.1 27.5 47 63 A F H < S- 0 0 48 -4,-2.8 -3,-0.2 1,-0.1 4,-0.2 0.432 109.3-113.8-106.8 -3.4 -13.0 70.0 30.4 48 64 A G >X - 0 0 32 -4,-2.0 3,-1.2 -5,-0.3 4,-0.9 0.195 36.4 -75.7 83.7 152.7 -11.3 71.7 33.3 49 65 A K T 34 S+ 0 0 147 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.846 133.3 38.8 -53.1 -40.7 -8.7 70.2 35.7 50 66 A D T 34 S+ 0 0 125 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.2 0.523 106.2 68.1 -91.7 -1.4 -11.2 68.1 37.6 51 67 A G T <4 S+ 0 0 13 -3,-1.2 -33,-1.8 -35,-0.2 -34,-0.9 0.676 102.5 41.6 -89.2 -15.9 -13.2 67.1 34.5 52 68 A V E < - b 0 18A 0 -4,-0.9 2,-0.5 -3,-0.3 -33,-0.2 -0.989 64.0-152.4-138.1 135.7 -10.5 65.0 32.9 53 69 A W E - b 0 19A 25 -35,-2.6 -33,-3.1 -2,-0.4 2,-0.5 -0.928 12.8-154.0-105.5 129.5 -8.0 62.4 34.1 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.2 -35,-0.2 2,-0.4 -0.917 16.6 179.1-103.4 126.2 -4.8 62.1 32.1 55 71 A Q E -Ab 5 21A 1 -35,-2.9 -33,-2.2 -2,-0.5 -50,-0.2 -0.952 12.2-158.0-135.0 117.7 -3.1 58.6 32.4 56 72 A G E - b 0 22A 0 -52,-2.5 2,-1.0 -2,-0.4 -33,-0.2 -0.486 29.7-110.1 -87.7 158.2 0.1 57.6 30.7 57 73 A V + 0 0 0 -35,-2.0 -33,-0.3 -26,-0.8 25,-0.1 -0.805 60.2 141.4 -92.7 103.4 0.9 53.9 30.1 58 74 A G > + 0 0 11 -2,-1.0 3,-2.5 23,-0.1 5,-0.1 0.195 28.7 73.0-108.3-128.0 3.8 53.2 32.4 59 75 A G T 3 S+ 0 0 53 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.248 117.0 4.2 53.5-121.5 4.6 50.1 34.5 60 76 A A T 3 S+ 0 0 38 17,-0.2 2,-1.2 18,-0.1 -1,-0.3 0.593 108.0 97.7 -70.9 -13.7 5.8 47.3 32.2 61 77 A Y < + 0 0 2 -3,-2.5 -1,-0.1 1,-0.2 13,-0.0 -0.694 43.2 165.9 -79.7 98.5 5.7 49.5 29.1 62 78 A R - 0 0 143 -2,-1.2 -35,-0.2 2,-0.1 -1,-0.2 0.418 43.6-130.0 -90.9 -2.4 9.4 50.5 28.9 63 79 A A - 0 0 2 1,-0.2 -36,-3.1 -37,-0.1 2,-0.6 0.876 35.8-176.3 52.1 44.4 9.1 51.8 25.3 64 80 A T > - 0 0 73 -38,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.612 24.8-138.6 -74.8 119.1 12.1 49.8 24.2 65 81 A L G > S+ 0 0 78 -2,-0.6 3,-2.3 1,-0.3 4,-0.2 0.867 98.0 58.4 -43.6 -52.6 12.9 50.6 20.6 66 82 A G G > S+ 0 0 47 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.724 90.6 71.6 -54.4 -28.1 13.6 47.1 19.5 67 83 A D G X S+ 0 0 46 -3,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.661 78.1 77.6 -65.9 -14.8 10.1 45.9 20.6 68 84 A W G < S+ 0 0 22 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.651 88.1 60.1 -72.3 -6.5 8.5 47.7 17.7 69 85 A A G < S+ 0 0 72 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.431 81.8 107.7 -94.3 -7.4 9.8 44.8 15.5 70 86 A L S X S- 0 0 68 -3,-1.7 3,-2.3 -4,-0.1 5,-0.1 -0.352 91.5 -93.0 -68.5 158.1 7.7 42.2 17.4 71 87 A P T 3 S+ 0 0 117 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.824 125.8 35.7 -39.8 -49.2 4.6 40.7 15.8 72 88 A R T 3 S- 0 0 79 2,-0.5 40,-0.2 1,-0.0 3,-0.1 0.436 118.6-103.7 -92.0 4.3 2.1 43.2 17.2 73 89 A G S < S+ 0 0 0 -3,-2.3 2,-0.3 1,-0.2 36,-0.2 0.507 98.6 36.4 88.0 4.7 4.5 46.2 17.1 74 90 A T S S- 0 0 4 34,-0.2 -2,-0.5 -6,-0.1 -1,-0.2 -0.933 97.7 -70.0-167.6 179.2 5.2 46.1 20.8 75 91 A S > - 0 0 24 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.448 32.3-123.3 -85.0 160.0 5.7 43.5 23.6 76 92 A S H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 113.4 57.6 -66.6 -34.7 3.0 41.3 25.2 77 93 A A H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 105.3 50.2 -63.2 -40.1 3.8 42.8 28.6 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 108.6 51.4 -65.3 -42.1 3.1 46.3 27.3 79 95 A I H X S+ 0 0 9 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.936 109.0 51.3 -61.0 -43.3 -0.3 45.2 25.9 80 96 A R H X S+ 0 0 136 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.897 108.4 53.4 -62.1 -37.3 -1.2 43.7 29.2 81 97 A E H X S+ 0 0 42 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.952 112.5 41.6 -63.0 -50.5 -0.3 46.9 31.0 82 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.896 112.5 54.4 -67.1 -37.0 -2.5 49.1 28.8 83 99 A L H X S+ 0 0 30 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.933 106.8 53.4 -60.6 -42.4 -5.3 46.5 28.9 84 100 A G H X S+ 0 0 20 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.838 106.0 52.2 -60.5 -35.2 -5.1 46.7 32.6 85 101 A L H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.898 109.1 48.7 -70.1 -39.2 -5.5 50.5 32.6 86 102 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 112.5 49.8 -65.2 -40.2 -8.6 50.3 30.4 87 103 A Q H X S+ 0 0 99 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.900 109.5 50.8 -66.2 -37.2 -10.0 47.8 32.8 88 104 A Q H X S+ 0 0 76 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.883 109.7 50.4 -66.6 -38.5 -9.2 50.0 35.8 89 105 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 7,-0.2 0.937 110.1 50.6 -64.3 -45.4 -10.9 52.9 34.2 90 106 A N H < S+ 0 0 43 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.851 117.6 38.0 -61.1 -38.7 -14.0 50.8 33.6 91 107 A T H < S+ 0 0 104 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.919 120.4 43.8 -81.8 -43.4 -14.2 49.5 37.1 92 108 A K H < S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.890 132.6 18.2 -67.8 -41.9 -13.2 52.7 39.0 93 109 A a >< + 0 0 4 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 -0.613 65.6 174.3-135.2 78.5 -15.4 55.1 36.9 94 110 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 81.8 48.6 -54.8 -29.7 -18.1 53.2 35.0 95 111 A D T 3 S+ 0 0 147 2,-0.1 2,-0.2 -77,-0.0 -5,-0.1 0.420 84.3 110.9 -95.6 1.9 -19.7 56.4 33.7 96 112 A A < - 0 0 7 -3,-1.8 2,-0.4 -7,-0.2 -78,-0.2 -0.497 67.2-127.6 -77.9 145.1 -16.6 58.1 32.3 97 113 A T E -c 18 0A 17 -80,-2.8 -78,-2.1 -2,-0.2 2,-0.3 -0.785 29.2-142.1 -87.8 135.2 -16.2 58.6 28.6 98 114 A L E +cd 19 125A 1 26,-2.2 28,-2.4 -2,-0.4 29,-0.5 -0.680 21.7 177.7-101.8 155.2 -12.8 57.2 27.5 99 115 A I E -cd 20 127A 0 -80,-1.9 -78,-2.2 -2,-0.3 2,-0.3 -0.963 9.6-172.1-146.6 155.4 -10.4 58.6 24.9 100 116 A A E +cd 21 128A 0 27,-2.0 29,-2.0 -2,-0.3 2,-0.3 -0.928 9.7 175.0-147.9 169.5 -7.0 57.3 23.9 101 117 A G E -cd 22 129A 0 -80,-1.6 -78,-2.2 -2,-0.3 2,-0.3 -0.984 4.6-171.1-168.9 164.9 -3.9 57.9 21.9 102 118 A G E -cd 23 130A 0 27,-1.7 29,-2.6 -2,-0.3 2,-0.4 -0.979 13.3-142.8-164.4 152.8 -0.4 56.7 21.1 103 119 A Y E > - d 0 131A 13 -80,-1.9 3,-2.3 -2,-0.3 29,-0.2 -0.978 64.5 -41.6-124.5 131.1 2.8 57.7 19.2 104 120 A S T >> S+ 0 0 2 27,-2.5 4,-1.6 -2,-0.4 3,-1.0 -0.268 138.8 7.8 56.8-121.9 5.1 55.4 17.3 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.896 133.5 58.4 -55.6 -37.0 5.5 52.2 19.2 106 122 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -82,-0.3 -2,-0.3 0.788 100.8 55.1 -61.9 -28.4 2.8 53.6 21.5 107 123 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 24,-0.2 -1,-0.2 0.899 109.4 45.9 -70.6 -42.8 0.4 53.8 18.5 108 124 A A H X S+ 0 0 1 -4,-1.6 4,-2.8 -35,-0.2 5,-0.2 0.903 113.6 51.0 -64.2 -41.5 0.9 50.1 17.8 109 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -36,-0.2 -2,-0.2 0.928 109.9 48.8 -60.3 -46.6 0.4 49.5 21.5 110 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.948 113.7 47.1 -59.2 -46.6 -2.8 51.5 21.5 111 127 A A H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 113.4 46.7 -62.7 -46.0 -4.1 49.6 18.5 112 128 A A H X S+ 0 0 5 -4,-2.8 4,-1.8 -40,-0.2 -1,-0.2 0.898 113.6 48.8 -64.2 -42.2 -3.2 46.1 19.8 113 129 A S H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.937 112.5 47.4 -62.4 -48.0 -4.8 46.9 23.2 114 130 A I H < S+ 0 0 0 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.889 109.9 54.5 -62.8 -38.3 -8.0 48.2 21.7 115 131 A E H < S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.897 114.2 39.5 -62.5 -41.3 -8.2 45.2 19.4 116 132 A D H < S+ 0 0 74 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.615 93.0 113.0 -83.4 -15.9 -8.0 42.8 22.4 117 133 A L S < S- 0 0 6 -4,-1.4 2,-0.1 -3,-0.2 -3,-0.0 -0.197 81.4 -96.0 -62.4 146.7 -10.2 44.8 24.7 118 134 A D >> - 0 0 89 1,-0.1 4,-2.7 4,-0.1 3,-1.3 -0.441 36.9-123.4 -59.4 135.6 -13.6 43.5 25.8 119 135 A S H 3> S+ 0 0 60 1,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.829 107.9 61.0 -54.5 -36.1 -16.2 45.1 23.5 120 136 A A H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.839 113.8 36.4 -62.2 -32.3 -18.1 46.7 26.3 121 137 A I H X4 S+ 0 0 10 -3,-1.3 3,-2.0 2,-0.2 4,-0.3 0.893 114.4 54.7 -85.5 -44.6 -15.1 48.7 27.3 122 138 A R H >< S+ 0 0 28 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.898 102.5 59.2 -54.3 -40.6 -13.8 49.3 23.8 123 139 A D T 3< S+ 0 0 91 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.598 96.2 63.0 -68.2 -9.3 -17.1 50.8 22.9 124 140 A K T < S+ 0 0 59 -3,-2.0 -26,-2.2 -5,-0.1 2,-1.1 0.492 76.5 97.3 -88.4 -11.9 -16.7 53.4 25.6 125 141 A I E < -d 98 0A 0 -3,-2.0 -26,-0.2 -4,-0.3 3,-0.1 -0.741 56.7-171.3 -81.8 100.9 -13.6 54.9 23.9 126 142 A A E - 0 0 4 -28,-2.4 2,-0.3 -2,-1.1 -27,-0.2 0.704 65.0 -1.5 -66.4 -24.1 -15.2 57.8 22.0 127 143 A G E -d 99 0A 0 -29,-0.5 -27,-2.0 -3,-0.1 2,-0.4 -0.953 56.7-160.2-167.7 148.5 -12.1 58.6 20.0 128 144 A T E -de 100 151A 0 22,-2.5 24,-2.0 -2,-0.3 2,-0.4 -1.000 6.9-158.8-137.0 133.8 -8.5 57.6 19.5 129 145 A V E -de 101 152A 0 -29,-2.0 -27,-1.7 -2,-0.4 2,-0.4 -0.941 7.4-169.5-113.8 135.9 -5.6 59.5 18.0 130 146 A L E -de 102 153A 0 22,-2.4 24,-3.0 -2,-0.4 2,-0.4 -0.990 2.7-164.3-127.6 126.7 -2.5 57.8 16.5 131 147 A F E S-de 103 154A 0 -29,-2.6 -27,-2.5 -2,-0.4 -24,-0.2 -0.926 76.3 -1.5-110.3 135.8 0.7 59.6 15.5 132 148 A G S S- 0 0 0 22,-2.6 2,-0.7 -2,-0.4 -1,-0.2 0.943 85.5-153.5 51.5 53.2 3.3 58.0 13.3 133 149 A Y > - 0 0 0 21,-0.4 3,-2.0 -3,-0.3 4,-0.3 -0.445 12.3-161.0 -65.6 106.0 1.3 54.8 13.3 134 150 A T T 3 S+ 0 0 4 -2,-0.7 4,-0.2 -30,-0.6 -1,-0.2 0.637 91.8 45.7 -64.3 -20.4 3.7 51.9 12.7 135 151 A K T 3> S+ 0 0 48 1,-0.1 4,-2.6 2,-0.1 6,-0.3 0.120 78.2 115.9-108.3 20.0 0.9 49.5 11.6 136 152 A N T <4>S+ 0 0 37 -3,-2.0 5,-2.6 25,-0.3 6,-0.3 0.927 81.4 37.3 -54.5 -51.2 -0.7 52.1 9.3 137 153 A L T >45S+ 0 0 73 24,-0.4 3,-1.4 -4,-0.3 -1,-0.2 0.956 117.2 51.2 -66.8 -49.9 -0.1 50.2 6.0 138 154 A Q T 345S+ 0 0 89 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.846 119.2 35.5 -57.2 -39.3 -0.7 46.7 7.5 139 155 A N T ><5S- 0 0 52 -4,-2.6 3,-1.6 3,-0.1 -1,-0.3 0.215 108.7-118.5-100.8 10.9 -4.1 47.7 9.1 140 156 A R T < 5S- 0 0 174 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.867 73.1 -55.2 54.0 40.5 -5.1 50.1 6.2 141 157 A G T 3 - 0 0 1 3,-0.4 3,-1.9 -2,-0.2 -31,-0.1 -0.970 46.6-106.2-110.8 122.0 -7.6 49.9 14.5 144 160 A P T 3 S+ 0 0 33 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.272 100.5 7.6 -53.1 136.8 -9.0 46.3 14.3 145 161 A N T 3 S+ 0 0 103 1,-0.2 -23,-0.0 -29,-0.0 -3,-0.0 0.552 109.5 105.9 68.5 13.4 -12.6 46.0 15.7 146 162 A Y S < S- 0 0 2 -3,-1.9 -3,-0.4 -23,-0.0 -1,-0.2 -0.968 76.5-103.4-127.4 136.0 -12.8 49.8 16.1 147 163 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.253 15.6-137.2 -62.2 138.7 -14.8 52.3 14.0 148 164 A A G > S+ 0 0 49 1,-0.2 3,-1.7 2,-0.2 -2,-0.0 0.858 102.7 61.9 -57.5 -37.3 -13.1 54.4 11.4 149 165 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.725 104.6 47.6 -65.9 -20.2 -15.2 57.5 12.5 150 166 A R G < S+ 0 0 65 -3,-1.2 -22,-2.5 -23,-0.1 2,-0.4 0.383 101.5 84.2 -99.1 4.8 -13.7 57.4 16.0 151 167 A T E < -e 128 0A 17 -3,-1.7 2,-0.4 -4,-0.3 -22,-0.2 -0.860 51.2-177.4-113.4 136.3 -10.1 57.0 14.7 152 168 A K E -e 129 0A 79 -24,-2.0 -22,-2.4 -2,-0.4 2,-0.4 -0.968 8.7-164.1-132.2 124.1 -7.8 59.8 13.6 153 169 A V E -e 130 0A 41 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.886 7.2-161.8-112.4 129.8 -4.3 59.0 12.2 154 170 A F E +e 131 0A 18 -24,-3.0 -22,-2.6 -2,-0.4 2,-0.4 -0.961 23.3 161.8-109.4 105.0 -1.6 61.5 11.8 155 171 A b - 0 0 43 -2,-0.6 2,-0.1 -24,-0.2 17,-0.1 -0.963 27.9-143.1-129.2 110.4 1.0 60.1 9.4 156 172 A N > - 0 0 47 -2,-0.4 3,-2.0 15,-0.2 2,-0.2 -0.420 26.8-101.3 -74.3 150.1 3.4 62.7 7.8 157 173 A T T 3 S+ 0 0 144 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.509 114.2 25.1 -66.7 133.3 4.6 62.4 4.3 158 174 A G T 3 S+ 0 0 43 1,-0.3 2,-1.2 -2,-0.2 -1,-0.3 0.466 83.3 128.6 90.8 -4.5 8.1 60.9 4.5 159 175 A D X - 0 0 2 -3,-2.0 3,-1.9 12,-0.2 4,-0.4 -0.788 46.3-161.0 -85.3 99.2 7.4 59.2 7.8 160 176 A L G > >S+ 0 0 62 -2,-1.2 5,-2.4 1,-0.3 3,-1.0 0.733 81.2 68.6 -55.5 -25.9 8.6 55.7 6.7 161 177 A V G > 5S+ 0 0 1 6,-0.3 3,-0.8 1,-0.2 -24,-0.4 0.802 95.0 57.9 -68.1 -21.0 6.8 53.9 9.5 162 178 A b G < 5S+ 0 0 6 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.694 106.8 47.7 -80.6 -17.4 3.5 54.8 7.9 163 179 A T G < 5S- 0 0 92 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.106 131.0 -83.4-110.0 19.1 4.5 53.1 4.7 164 180 A G T < 5S+ 0 0 36 -3,-0.8 2,-0.4 1,-0.3 -3,-0.2 0.487 90.0 116.7 99.7 2.1 5.7 49.8 6.2 165 181 A S < - 0 0 48 -5,-2.4 2,-1.2 2,-0.1 -1,-0.3 -0.874 56.2-143.9-108.0 139.2 9.3 50.5 7.2 166 182 A L + 0 0 74 -2,-0.4 2,-0.4 -4,-0.1 -5,-0.1 -0.565 62.5 117.2 -96.0 70.7 10.7 50.5 10.8 167 183 A I - 0 0 93 -2,-1.2 2,-0.6 2,-0.0 -6,-0.3 -0.999 62.1-130.3-138.0 136.7 13.1 53.4 10.2 168 184 A V + 0 0 72 -2,-0.4 2,-0.3 -8,-0.1 -9,-0.1 -0.803 33.1 170.4 -94.4 115.1 13.1 56.7 12.0 169 185 A A > - 0 0 28 -2,-0.6 3,-1.9 -11,-0.1 4,-0.4 -0.765 49.9 -91.7-116.5 166.1 13.3 59.7 9.6 170 186 A A G > S+ 0 0 79 1,-0.3 3,-1.9 -2,-0.3 -11,-0.1 0.824 120.9 59.9 -48.4 -42.8 12.9 63.4 10.3 171 187 A P G > S+ 0 0 37 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.746 94.5 66.6 -61.5 -21.1 9.1 63.5 9.6 172 188 A H G < S+ 0 0 4 -3,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.716 102.6 46.9 -70.2 -20.4 8.6 60.9 12.4 173 189 A L G < S+ 0 0 126 -3,-1.9 3,-0.3 -4,-0.4 -1,-0.3 0.141 93.8 83.8-105.7 18.3 9.7 63.5 14.9 174 190 A A < + 0 0 49 -3,-1.2 4,-0.2 1,-0.2 -1,-0.2 -0.110 50.0 105.1-116.4 40.2 7.5 66.3 13.5 175 191 A Y > + 0 0 2 -3,-0.2 4,-2.2 1,-0.2 3,-0.3 0.445 45.9 104.6 -98.2 1.4 4.1 65.7 15.2 176 192 A G H > S+ 0 0 19 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.879 79.4 48.6 -47.6 -53.7 4.4 68.6 17.6 177 193 A P H > S+ 0 0 79 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.885 111.4 51.7 -58.4 -37.4 1.9 70.9 15.8 178 194 A D H 4>S+ 0 0 34 -3,-0.3 5,-2.6 1,-0.2 -2,-0.2 0.905 108.0 50.6 -65.7 -41.0 -0.6 68.0 15.5 179 195 A A H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.790 112.2 49.1 -67.9 -25.9 -0.4 67.3 19.2 180 196 A R H <5S+ 0 0 143 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.743 130.6 2.3 -84.4 -26.5 -1.0 71.0 19.9 181 197 A G T X5S+ 0 0 28 -4,-1.5 4,-2.4 -3,-0.2 5,-0.2 0.597 124.9 33.5-125.3 -80.5 -4.0 71.5 17.7 182 198 A P H >5S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.798 114.0 55.8 -57.2 -34.7 -5.9 68.9 15.5 183 199 A A H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.912 115.1 57.7 -63.1 -33.8 -6.9 67.5 21.0 185 201 A E H X S+ 0 0 127 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.931 108.9 45.7 -57.6 -45.0 -9.5 69.2 18.7 186 202 A F H X S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.926 113.5 48.3 -62.2 -48.8 -10.6 65.8 17.4 187 203 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.904 112.7 48.2 -60.9 -42.0 -10.7 64.2 20.9 188 204 A I H X S+ 0 0 24 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.924 111.8 50.0 -65.4 -43.0 -12.7 67.1 22.3 189 205 A E H X S+ 0 0 111 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.920 110.9 49.2 -61.8 -44.2 -15.2 67.0 19.4 190 206 A K H X S+ 0 0 47 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.816 111.8 48.2 -66.7 -34.1 -15.7 63.2 19.8 191 207 A V H >X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 3,-0.7 0.934 112.4 48.5 -70.6 -46.4 -16.3 63.5 23.5 192 208 A R H 3X S+ 0 0 113 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.817 102.0 65.2 -63.9 -29.2 -18.8 66.3 23.0 193 209 A A H 3< S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.5 26.3 -61.6 -37.0 -20.6 64.3 20.3 194 210 A V H << S+ 0 0 85 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.708 129.7 39.9 -99.8 -23.7 -21.6 61.7 22.9 195 211 A R H < S- 0 0 99 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.649 94.4-146.4 -98.6 -19.6 -21.7 63.7 26.1 196 212 A G < 0 0 34 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.422 360.0 360.0 85.5-161.3 -23.2 66.9 24.8 197 213 A S 0 0 160 -2,-0.1 -1,-0.1 -4,-0.1 -2,-0.0 -0.356 360.0 360.0 63.1 360.0 -22.4 70.3 26.1