==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-06 2HUC . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.P.BENFIELD,S.F.MARTIN,N.M.ANTIKAINEN . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 1 1 1 0 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 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 1 A W 0 0 3 0, 0.0 146,-0.1 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 166.5 90.1 68.8 7.8 2 2 A S + 0 0 15 144,-0.4 12,-2.1 1,-0.1 13,-0.2 -0.270 360.0 179.1 -71.8 159.7 91.0 65.6 5.9 3 3 A A + 0 0 14 9,-0.2 9,-0.3 10,-0.2 52,-0.1 -0.371 22.9 152.2-156.7 57.4 90.1 62.1 7.1 4 4 A G + 0 0 39 7,-2.9 2,-0.4 5,-0.1 8,-0.2 0.755 60.3 36.2 -68.5 -32.4 91.5 60.0 4.3 5 5 A D S S- 0 0 64 3,-0.4 3,-0.3 1,-0.1 10,-0.1 -0.976 70.2-135.8-128.1 143.0 92.4 56.8 6.0 6 6 A K S S+ 0 0 97 -2,-0.4 46,-0.2 1,-0.2 -1,-0.1 0.902 101.9 13.4 -61.1 -45.0 90.5 55.0 8.8 7 7 A H S S+ 0 0 86 45,-0.0 2,-0.4 42,-0.0 -1,-0.2 0.120 110.5 82.8-125.0 24.8 93.6 54.2 11.0 8 8 A K - 0 0 146 -3,-0.3 -3,-0.4 1,-0.1 3,-0.2 -0.981 56.5-152.8-130.9 141.7 96.5 56.2 9.6 9 9 A E S > S+ 0 0 56 -2,-0.4 3,-1.9 1,-0.2 7,-0.2 0.689 73.6 97.1 -83.2 -21.9 97.5 59.9 10.2 10 10 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -6,-0.0 3,-0.0 0.831 109.3 3.3 -32.3 -62.5 99.2 60.4 6.8 11 11 A V T 3 S+ 0 0 69 -3,-0.2 -7,-2.9 1,-0.1 2,-0.3 -0.162 113.9 93.3-122.6 37.5 96.2 62.0 5.1 12 12 A N <> + 0 0 0 -3,-1.9 4,-1.9 -9,-0.3 -9,-0.2 -0.761 40.8 171.9-131.8 84.3 93.8 62.1 8.2 13 13 A S H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 -10,-0.2 0.822 78.6 60.4 -61.2 -33.3 94.2 65.5 9.9 14 14 A H H > S+ 0 0 2 -12,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.932 106.8 43.2 -62.3 -46.6 91.3 64.6 12.2 15 15 A L H > S+ 0 0 2 -13,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 112.4 54.6 -65.8 -40.8 92.9 61.5 13.7 16 16 A W H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.933 107.4 50.4 -57.2 -48.5 96.2 63.4 14.0 17 17 A I H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.920 112.8 45.7 -57.5 -45.6 94.4 66.2 16.0 18 18 A V H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.908 111.5 51.5 -66.0 -42.0 92.8 63.6 18.3 19 19 A N H X S+ 0 0 14 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.874 110.9 48.7 -63.4 -37.3 96.0 61.6 18.8 20 20 A R H X S+ 0 0 28 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.853 109.5 52.5 -70.8 -33.8 97.9 64.9 19.7 21 21 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.880 108.7 50.1 -67.3 -38.5 95.1 65.8 22.2 22 22 A I H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.885 106.4 55.8 -66.9 -37.9 95.5 62.4 23.8 23 23 A D H X S+ 0 0 55 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.852 103.9 54.7 -62.2 -34.2 99.2 63.0 24.1 24 24 A I H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.918 107.6 49.3 -65.0 -42.6 98.5 66.2 26.0 25 25 A M H < S+ 0 0 0 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.894 110.6 50.7 -62.6 -40.3 96.4 64.2 28.5 26 26 A S H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 107.7 52.9 -66.0 -36.1 99.3 61.7 28.9 27 27 A R H < S+ 0 0 124 -4,-2.0 2,-0.6 133,-0.2 134,-0.3 0.754 90.9 89.9 -71.9 -23.9 101.8 64.5 29.5 28 28 A N < + 0 0 11 -4,-1.2 4,-0.1 -3,-0.3 134,-0.0 -0.649 44.6 168.0 -79.3 120.0 99.6 66.0 32.3 29 29 A T + 0 0 129 -2,-0.6 -1,-0.1 2,-0.1 -3,-0.0 0.259 65.7 64.2-113.5 10.1 100.5 64.5 35.6 30 30 A T S S+ 0 0 120 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.789 120.2 1.5-104.0 -34.9 98.6 66.9 37.9 31 31 A L S S+ 0 0 79 -6,-0.1 2,-0.5 1,-0.0 -2,-0.1 0.517 100.8 96.8-132.9 -8.2 94.9 66.4 37.1 32 32 A V - 0 0 14 -7,-0.1 2,-0.8 -4,-0.1 -1,-0.0 -0.751 62.1-141.6 -92.8 126.3 94.5 63.7 34.4 33 33 A K > - 0 0 151 -2,-0.5 3,-2.2 1,-0.2 4,-0.5 -0.759 14.7-149.3 -81.0 111.5 93.7 60.1 35.5 34 34 A Q T 3> S+ 0 0 76 -2,-0.8 4,-1.8 1,-0.3 3,-0.4 0.652 88.6 76.8 -60.3 -15.1 95.8 58.2 33.0 35 35 A D H 3> S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.737 87.7 63.0 -67.4 -18.5 93.3 55.3 33.1 36 36 A R H <> S+ 0 0 40 -3,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.902 103.1 45.6 -70.7 -41.4 91.2 57.5 30.8 37 37 A V H > S+ 0 0 10 -4,-0.5 4,-2.0 -3,-0.4 -2,-0.2 0.867 109.7 56.6 -68.6 -35.0 93.9 57.5 28.1 38 38 A A H X S+ 0 0 49 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.898 107.0 48.8 -63.3 -38.9 94.2 53.7 28.6 39 39 A Q H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 108.2 52.8 -68.4 -39.9 90.4 53.4 27.9 40 40 A L H < S+ 0 0 0 -4,-1.9 7,-0.2 1,-0.2 -1,-0.2 0.890 113.3 45.2 -61.3 -38.5 90.7 55.5 24.7 41 41 A N H >< S+ 0 0 77 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.851 107.7 57.3 -73.5 -35.4 93.5 53.2 23.5 42 42 A E H 3< S+ 0 0 130 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.902 118.5 32.3 -61.9 -40.9 91.6 50.1 24.5 43 43 A W T 3X S+ 0 0 56 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 -0.089 83.0 126.0-108.0 35.3 88.7 51.1 22.2 44 44 A R H <> + 0 0 55 -3,-1.3 4,-2.9 1,-0.2 5,-0.3 0.830 65.9 60.0 -62.3 -37.2 90.9 52.9 19.6 45 45 A T H > S+ 0 0 79 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.936 111.1 41.7 -57.9 -44.9 89.5 51.0 16.7 46 46 A E H > S+ 0 0 33 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.896 112.9 53.2 -68.5 -42.5 86.0 52.2 17.4 47 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.939 113.0 44.0 -58.3 -48.0 87.2 55.7 18.2 48 48 A E H X S+ 0 0 17 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.867 108.2 58.0 -67.0 -36.3 89.0 55.9 14.9 49 49 A N H X S+ 0 0 50 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.915 109.4 46.4 -58.8 -42.0 86.0 54.4 13.0 50 50 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.910 109.5 52.3 -66.9 -43.2 83.9 57.2 14.3 51 51 A I H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.887 117.6 39.7 -59.6 -39.0 86.4 59.9 13.4 52 52 A Y H >< S+ 0 0 49 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.884 105.4 64.2 -77.9 -43.6 86.5 58.5 9.8 53 53 A A H >X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.2 3,-1.4 0.795 86.6 73.2 -53.0 -34.5 82.8 57.8 9.4 54 54 A A T 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.834 106.3 34.4 -51.7 -38.9 81.8 61.4 9.7 55 55 A D T <4 S+ 0 0 37 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.402 120.7 50.2 -98.0 2.0 83.2 62.2 6.2 56 56 A Y T <4 S+ 0 0 136 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.708 105.7 21.9-115.0 -23.3 82.3 58.9 4.6 57 57 A E S X S- 0 0 74 -4,-2.0 4,-2.0 6,-0.0 5,-0.2 -0.931 78.1 -52.2-146.7 167.9 78.7 57.9 5.2 58 58 A N T 4 S+ 0 0 76 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 -0.463 105.3 17.0 -79.0 153.4 75.2 58.9 6.0 59 59 A P T >4 S+ 0 0 77 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.985 125.0 55.7 -84.5 -7.9 73.8 60.5 8.0 60 60 A Y T 34 S+ 0 0 26 1,-0.3 -2,-0.2 2,-0.1 8,-0.2 0.800 114.0 36.9 -51.3 -42.4 77.1 62.0 9.1 61 61 A Y T 3X>S- 0 0 53 -4,-2.0 5,-2.6 -8,-0.2 4,-1.3 0.305 100.7-129.9-100.2 11.9 78.1 63.4 5.7 62 62 A D T X45S- 0 0 43 -3,-1.5 3,-1.2 1,-0.2 5,-0.3 0.889 71.1 -44.9 42.9 63.9 74.6 64.5 4.5 63 63 A N T 345S- 0 0 121 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.887 111.7 -54.8 52.4 44.9 74.5 62.9 1.1 64 64 A S T 345S+ 0 0 72 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.736 122.3 102.3 62.9 24.8 78.0 64.1 0.3 65 65 A T T <<5 - 0 0 48 -4,-1.3 -3,-0.2 -3,-1.2 -2,-0.1 0.608 69.1-151.4-105.6 -19.4 77.2 67.8 1.1 66 66 A F > < + 0 0 65 -5,-2.6 3,-1.9 1,-0.1 -4,-0.2 0.722 39.6 151.5 54.5 27.6 78.9 67.7 4.5 67 67 A A G > + 0 0 2 -5,-0.3 3,-1.5 1,-0.3 19,-0.3 0.853 65.0 58.2 -55.7 -39.6 76.5 70.4 5.7 68 68 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -8,-0.2 22,-0.2 0.536 93.7 70.7 -71.4 -2.8 76.6 69.2 9.4 69 69 A H G < S+ 0 0 0 -3,-1.9 2,-0.3 16,-0.1 -1,-0.3 0.372 90.7 71.1 -93.5 3.9 80.4 69.8 9.3 70 70 A F < + 0 0 8 -3,-1.5 16,-2.3 14,-0.2 17,-0.2 -0.859 50.3 169.1-120.3 155.1 80.0 73.6 9.2 71 71 A Y - 0 0 3 57,-2.3 7,-0.2 -2,-0.3 60,-0.1 -0.737 18.2-158.5-167.7 113.3 79.0 76.1 11.9 72 72 A D B >>> -A 77 0A 16 5,-2.1 4,-2.5 -2,-0.2 3,-0.6 -0.869 11.8-153.8 -95.8 115.4 79.2 79.9 11.8 73 73 A P T 345S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 0.697 88.2 61.2 -63.4 -20.2 79.1 81.2 15.4 74 74 A D T 345S+ 0 0 129 1,-0.1 107,-0.0 3,-0.1 -2,-0.0 0.835 125.5 12.6 -78.9 -32.5 77.6 84.6 14.4 75 75 A N T <45S- 0 0 84 -3,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.471 96.8-128.4-118.0 -8.4 74.4 83.3 12.8 76 76 A G T <5 + 0 0 21 -4,-2.5 2,-0.3 1,-0.2 9,-0.1 0.740 66.5 118.5 67.2 27.9 74.6 79.7 14.1 77 77 A K B < -A 72 0A 134 -5,-0.6 -5,-2.1 7,-0.1 -1,-0.2 -0.785 57.9-131.2-124.5 164.7 74.1 78.2 10.7 78 78 A T - 0 0 10 5,-0.4 4,-0.1 2,-0.4 7,-0.1 -0.345 46.5 -89.4 -97.9-173.7 75.8 75.9 8.2 79 79 A Y S S+ 0 0 74 -12,-0.2 54,-0.1 -2,-0.1 -12,-0.1 0.576 108.3 68.9 -79.6 -10.2 76.1 76.8 4.4 80 80 A I S > S- 0 0 58 -13,-0.1 3,-1.9 4,-0.1 -2,-0.4 -0.946 95.5-108.1-110.7 124.2 72.9 75.1 3.3 81 81 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.204 97.7 2.9 -50.9 133.7 69.6 76.9 4.5 82 82 A F T 3 S+ 0 0 215 1,-0.2 2,-0.1 -4,-0.1 -3,-0.1 0.395 97.5 132.5 70.6 -0.1 67.8 74.9 7.2 83 83 A A < - 0 0 35 -3,-1.9 -5,-0.4 1,-0.1 -1,-0.2 -0.452 64.7 -95.7 -83.8 156.8 70.3 72.1 7.4 84 84 A K - 0 0 133 -2,-0.1 -14,-0.2 -3,-0.1 2,-0.2 -0.401 44.3-146.8 -67.2 144.3 71.8 70.7 10.7 85 85 A Q > - 0 0 22 -9,-0.1 4,-1.8 -16,-0.1 -14,-0.2 -0.534 24.0 -97.8-111.1 177.9 75.1 72.3 11.8 86 86 A A H > S+ 0 0 0 -16,-2.3 4,-2.4 -19,-0.3 5,-0.2 0.732 112.3 57.5 -67.2 -28.1 78.2 71.2 13.6 87 87 A K H > S+ 0 0 45 -17,-0.2 4,-2.1 2,-0.2 5,-0.2 0.975 113.4 36.5 -69.6 -54.1 77.4 72.5 17.1 88 88 A E H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.870 121.2 49.1 -66.2 -35.0 74.1 70.6 17.6 89 89 A T H X S+ 0 0 14 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.928 110.8 47.8 -71.4 -45.8 75.5 67.5 15.7 90 90 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.912 113.8 48.2 -61.1 -41.6 78.8 67.4 17.7 91 91 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.875 105.3 60.3 -65.9 -38.3 76.8 67.7 21.0 92 92 A K H X S+ 0 0 112 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.921 109.6 40.3 -54.8 -49.4 74.4 65.0 19.9 93 93 A Y H X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.760 108.8 61.5 -74.7 -23.7 77.2 62.4 19.6 94 94 A F H X S+ 0 0 2 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.918 111.5 39.8 -65.7 -42.4 78.9 63.7 22.8 95 95 A K H X S+ 0 0 94 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.888 113.6 51.4 -75.2 -41.8 75.7 62.8 24.7 96 96 A L H X S+ 0 0 51 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.908 111.4 50.7 -61.5 -40.5 75.0 59.5 22.9 97 97 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 111.3 47.5 -61.5 -47.8 78.6 58.5 23.6 98 98 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.868 109.9 51.2 -62.9 -40.0 78.2 59.3 27.3 99 99 A E H X S+ 0 0 110 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.904 111.9 47.8 -65.8 -39.4 74.9 57.5 27.7 100 100 A S H <>S+ 0 0 19 -4,-2.0 5,-2.7 -5,-0.2 4,-0.2 0.892 108.6 55.4 -66.4 -38.8 76.4 54.4 26.1 101 101 A Y H ><5S+ 0 0 14 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.898 108.2 47.2 -60.3 -43.5 79.5 54.7 28.4 102 102 A K H 3<5S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.4 53.2 -68.7 -29.0 77.3 54.7 31.5 103 103 A N T 3<5S- 0 0 106 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.399 117.2-116.2 -85.6 1.8 75.4 51.7 30.2 104 104 A K T < 5S+ 0 0 131 -3,-1.1 2,-1.2 -4,-0.2 -3,-0.2 0.698 72.1 136.2 71.7 20.6 78.7 49.9 29.7 105 105 A D >< + 0 0 78 -5,-2.7 4,-2.4 1,-0.2 -1,-0.2 -0.742 25.7 172.9 -98.2 83.8 78.4 49.6 25.9 106 106 A M H > + 0 0 36 -2,-1.2 4,-2.6 2,-0.2 5,-0.3 0.846 69.8 52.0 -63.6 -41.5 82.0 50.6 25.1 107 107 A K H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.928 115.3 43.5 -63.3 -42.7 82.2 50.1 21.3 108 108 A Q H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 114.0 53.2 -65.5 -44.7 79.1 52.2 20.9 109 109 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.932 113.2 38.7 -57.7 -53.5 80.4 54.8 23.4 110 110 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.724 111.8 57.9 -75.9 -20.4 83.8 55.4 21.8 111 111 A F H X S+ 0 0 41 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.953 111.7 42.5 -70.0 -49.4 82.5 55.2 18.2 112 112 A Y H X S+ 0 0 47 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.837 111.5 55.2 -64.7 -33.1 80.1 58.1 19.0 113 113 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.932 105.4 53.3 -65.6 -42.8 82.9 59.9 20.9 114 114 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.895 108.4 49.4 -57.3 -42.8 85.0 59.7 17.8 115 115 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.941 111.1 49.8 -61.7 -46.4 82.2 61.3 15.7 116 116 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 109.3 50.8 -59.3 -44.7 81.8 64.1 18.3 117 117 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.840 106.8 56.8 -62.5 -32.8 85.6 64.8 18.3 118 118 A H H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.944 108.0 45.2 -63.7 -48.9 85.4 65.0 14.5 119 119 A Y H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.888 112.5 51.0 -63.7 -39.3 82.8 67.7 14.5 120 120 A L H < S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.922 110.5 51.3 -62.7 -42.0 84.7 69.6 17.2 121 121 A G H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.912 105.2 56.0 -61.2 -42.2 87.8 69.3 15.1 122 122 A D H >< S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.3 6,-0.3 0.901 99.9 56.4 -59.5 -43.2 85.9 70.7 12.0 123 123 A V T 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1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.912 115.7 50.4 -67.0 -41.2 90.1 71.0 -1.0 144 144 A K H X S+ 0 0 87 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.883 110.3 51.6 -64.6 -36.9 93.6 72.1 -2.0 145 145 A Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.937 109.7 47.2 -65.0 -47.6 94.2 73.8 1.3 146 146 A E H X S+ 0 0 26 -4,-2.0 4,-1.0 1,-0.2 -144,-0.4 0.812 111.8 50.8 -66.7 -28.8 93.1 70.7 3.4 147 147 A N H X S+ 0 0 97 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.884 109.6 51.5 -73.4 -37.4 95.3 68.4 1.3 148 148 A F H >X S+ 0 0 21 -4,-1.9 3,-1.2 1,-0.2 4,-0.7 0.887 100.4 63.2 -64.0 -39.7 98.2 70.8 1.9 149 149 A V H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 3,-1.4 0.883 95.8 59.3 -53.3 -41.4 97.6 70.8 5.6 150 150 A D H 3< S+ 0 0 17 -4,-1.0 4,-0.4 -3,-0.3 -1,-0.3 0.819 99.1 58.4 -59.7 -30.2 98.5 67.1 5.7 151 151 A T H << S+ 0 0 102 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.680 121.8 22.3 -74.4 -17.5 101.9 67.8 4.3 152 152 A I H X< S+ 0 0 25 -3,-1.4 3,-2.0 -4,-0.7 -2,-0.2 0.496 91.2 98.8-126.3 -8.1 102.9 70.1 7.2 153 153 A K G >< S+ 0 0 9 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2,-1.8 -139,-0.2 67,-0.2 -0.374 57.5 -91.9 -82.1 170.9 95.1 71.3 27.5 164 164 A Y > - 0 0 73 65,-2.4 3,-1.4 -2,-0.1 4,-0.2 -0.560 52.4-165.3 -85.8 76.4 92.2 73.8 27.9 165 165 A W T 3 S- 0 0 45 -2,-1.8 68,-0.1 1,-0.3 69,-0.1 -0.424 71.6 -5.4 -65.4 131.5 90.9 72.2 31.1 166 166 A N T 3 S+ 0 0 115 67,-0.4 -1,-0.3 -2,-0.2 4,-0.1 0.853 83.5 160.4 49.0 41.8 87.4 73.4 31.9 167 167 A W < + 0 0 71 -3,-1.4 2,-0.2 63,-0.1 -2,-0.1 0.890 66.9 5.6 -57.4 -44.6 87.6 75.9 29.0 168 168 A K S S- 0 0 87 1,-0.4 7,-0.1 -4,-0.2 0, 0.0 -0.641 98.8 -70.1-128.0-173.3 83.9 76.3 28.9 169 169 A G - 0 0 47 -2,-0.2 -1,-0.4 2,-0.1 6,-0.1 0.300 60.5 -81.6 -65.5-160.4 80.9 75.0 31.0 170 170 A T S S+ 0 0 116 -4,-0.1 -1,-0.1 4,-0.0 3,-0.0 0.567 102.5 96.5 -83.9 -9.6 79.6 71.5 31.2 171 171 A N >> - 0 0 57 1,-0.2 3,-1.2 2,-0.0 4,-0.9 -0.716 65.8-151.6 -85.9 119.4 77.6 71.9 27.9 172 172 A P H 3> S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.825 94.8 65.4 -58.4 -30.5 79.5 70.5 24.9 173 173 A E H 3> S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 97.0 56.2 -59.6 -33.7 77.7 73.0 22.7 174 174 A E H <> S+ 0 0 101 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.838 108.1 47.7 -66.7 -34.2 79.5 75.8 24.5 175 175 A W H X S+ 0 0 1 -4,-0.9 4,-2.1 -3,-0.5 -2,-0.2 0.908 113.3 46.1 -73.1 -42.9 82.9 74.2 23.7 176 176 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.922 115.6 46.7 -65.9 -43.4 82.0 73.7 20.0 177 177 A H H X S+ 0 0 60 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.935 112.0 51.2 -62.3 -47.6 80.7 77.3 19.7 178 178 A G H X S+ 0 0 6 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.868 110.1 48.8 -58.3 -39.9 83.7 78.6 21.5 179 179 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.899 110.2 51.8 -67.6 -40.6 86.1 76.8 19.2 180 180 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.876 105.2 56.8 -63.3 -38.3 84.2 78.1 16.2 181 181 A V H X S+ 0 0 48 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.946 110.9 41.8 -58.4 -50.3 84.4 81.7 17.5 182 182 A V H X S+ 0 0 35 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.914 113.8 53.0 -64.3 -43.7 88.2 81.6 17.6 183 183 A A H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.908 109.3 48.6 -59.4 -43.0 88.5 79.8 14.3 184 184 A K H >< S+ 0 0 55 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.872 105.3 57.4 -66.8 -36.8 86.4 82.4 12.5 185 185 A Q H 3< S+ 0 0 134 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.839 109.6 47.6 -61.1 -30.2 88.4 85.2 14.0 186 186 A D T >< S+ 0 0 17 -4,-1.3 3,-1.9 -3,-0.3 -1,-0.3 0.467 83.3 100.3 -89.3 -3.0 91.4 83.5 12.3 187 187 A Y G X> S+ 0 0 56 -3,-1.3 3,-2.5 -4,-0.3 4,-2.5 0.871 73.2 59.5 -49.8 -48.7 89.6 83.1 9.0 188 188 A S G 34 S+ 0 0 80 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.565 93.5 68.3 -63.0 -6.4 91.3 86.1 7.2 189 189 A G G <4 S+ 0 0 19 -3,-1.9 30,-0.3 1,-0.1 -1,-0.3 0.566 115.1 25.8 -86.9 -8.2 94.7 84.4 7.9 190 190 A I T <4 S+ 0 0 0 -3,-2.5 2,-0.6 1,-0.3 -2,-0.2 0.701 124.6 44.1-117.2 -48.1 93.7 81.7 5.4 191 191 A V S < S+ 0 0 9 -4,-2.5 -1,-0.3 4,-0.1 2,-0.3 -0.915 73.9 118.6-111.5 114.2 91.2 83.3 3.0 192 192 A N S > S- 0 0 40 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.944 75.9 -82.5-158.5 173.4 91.9 86.9 1.7 193 193 A D H > S+ 0 0 116 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.836 124.7 52.7 -55.2 -34.1 92.5 88.7 -1.6 194 194 A N H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.967 111.5 41.6 -67.7 -54.4 96.2 87.7 -1.6 195 195 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.840 115.4 54.4 -63.3 -30.6 95.7 84.0 -1.1 196 196 A K H X S+ 0 0 51 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.955 110.2 43.7 -66.3 -51.2 92.8 84.1 -3.6 197 197 A D H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.892 116.4 47.5 -61.5 -42.0 94.9 85.8 -6.4 198 198 A W H X S+ 0 0 36 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.887 108.3 54.0 -69.0 -39.4 97.8 83.6 -5.8 199 199 A F H < S+ 0 0 28 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.930 110.9 46.8 -60.3 -45.2 95.8 80.4 -5.8 200 200 A V H >< S+ 0 0 78 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.912 112.5 49.3 -62.9 -43.2 94.2 81.3 -9.2 201 201 A K H >X S+ 0 0 102 -4,-2.0 3,-1.5 1,-0.3 4,-0.8 0.750 95.6 72.4 -68.7 -23.2 97.7 82.2 -10.6 202 202 A A T 3< S+ 0 0 23 -4,-1.7 -1,-0.3 6,-0.3 7,-0.2 0.720 78.0 80.8 -63.8 -18.9 99.0 78.9 -9.3 203 203 A A T <4 S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.838 114.9 12.2 -55.6 -35.2 97.0 77.3 -12.1 204 204 A V T <4 S+ 0 0 140 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.2 0.260 124.3 67.4-126.3 8.4 99.7 78.2 -14.6 205 205 A S X - 0 0 31 -4,-0.8 4,-1.2 1,-0.1 3,-0.3 -0.945 51.6-165.1-139.3 118.4 102.6 79.2 -12.2 206 206 A Q H > S+ 0 0 138 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.827 93.7 63.3 -65.6 -31.8 104.5 76.9 -9.8 207 207 A E H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.890 105.3 43.8 -59.6 -42.3 105.8 80.0 -8.1 208 208 A Y H > S+ 0 0 57 -3,-0.3 4,-2.0 -7,-0.2 -6,-0.3 0.743 106.1 61.9 -76.3 -23.5 102.3 81.0 -7.0 209 209 A A H X S+ 0 0 9 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.931 111.0 39.4 -65.9 -43.8 101.5 77.5 -6.0 210 210 A D H X S+ 0 0 86 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.795 111.3 62.2 -74.5 -28.2 104.3 77.7 -3.4 211 211 A K H X S+ 0 0 88 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.924 104.7 41.9 -66.4 -47.4 103.4 81.3 -2.6 212 212 A W H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.877 113.2 55.5 -70.1 -32.1 99.8 80.7 -1.3 213 213 A R H X S+ 0 0 61 -4,-1.1 4,-0.6 -5,-0.3 -2,-0.2 0.929 109.6 45.4 -64.0 -43.9 101.0 77.6 0.6 214 214 A A H >< S+ 0 0 64 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.930 109.9 56.7 -63.2 -45.1 103.7 79.6 2.4 215 215 A E H 3< S+ 0 0 84 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.843 109.7 42.6 -55.9 -40.9 101.2 82.4 3.2 216 216 A V H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.516 92.2 88.7 -88.0 -3.6 98.7 80.2 5.0 217 217 A T H S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.954 114.8 42.0 -57.3 -49.6 101.6 80.4 10.1 219 219 A M H > S+ 0 0 41 -4,-0.4 4,-2.6 -30,-0.3 -2,-0.2 0.834 110.1 58.5 -65.9 -31.7 97.8 80.5 10.8 220 220 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.919 105.3 51.1 -62.7 -40.5 97.5 76.8 9.9 221 221 A G H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 109.7 49.1 -62.1 -43.8 99.9 76.2 12.7 222 222 A K H X S+ 0 0 81 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.931 111.3 49.0 -61.0 -47.8 97.9 78.2 15.2 223 223 A R H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.881 111.1 49.5 -61.0 -40.7 94.7 76.5 14.3 224 224 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.903 113.2 46.6 -66.8 -41.0 96.2 73.0 14.6 225 225 A M H X S+ 0 0 60 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 113.0 47.8 -69.3 -41.3 97.6 73.8 18.0 226 226 A D H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.912 109.2 56.1 -63.6 -40.7 94.5 75.4 19.3 227 227 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.886 107.1 49.4 -57.6 -40.5 92.5 72.4 18.0 228 228 A Q H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.941 112.5 45.5 -65.1 -49.1 94.7 70.1 20.1 229 229 A R H X S+ 0 0 44 -4,-2.0 -65,-2.4 2,-0.2 4,-1.8 0.881 115.4 46.8 -63.6 -40.8 94.4 72.0 23.4 230 230 A V H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.923 111.9 50.5 -67.5 -45.0 90.6 72.4 23.0 231 231 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.892 108.1 53.2 -61.3 -40.5 90.1 68.7 22.1 232 232 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.936 111.1 45.8 -60.1 -46.6 92.1 67.6 25.1 233 233 A G H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -67,-0.4 0.861 110.9 54.1 -64.1 -35.4 89.9 69.7 27.4 234 234 A Y H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.897 108.2 48.1 -65.0 -44.5 86.8 68.4 25.7 235 235 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.923 110.3 52.4 -63.9 -42.7 87.8 64.7 26.2 236 236 A Q H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.913 108.1 51.6 -59.6 -42.6 88.6 65.5 29.9 237 237 A L H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 106.1 55.4 -60.4 -40.5 85.1 67.0 30.2 238 238 A W H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.935 112.0 41.3 -60.2 -48.5 83.5 63.9 28.8 239 239 A F H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.897 112.7 54.1 -67.2 -40.9 85.1 61.6 31.3 240 240 A D H < S+ 0 0 82 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.863 116.3 41.5 -59.7 -34.8 84.4 64.1 34.2 241 241 A T H < S+ 0 0 64 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 133.1 15.7 -79.0 -49.4 80.8 64.0 33.1 242 242 A Y H < S+ 0 0 33 -4,-2.8 2,-1.9 -5,-0.2 -3,-0.2 0.582 86.8 116.4-104.7 -13.7 80.2 60.3 32.3 243 243 A G < 0 0 29 -4,-2.6 -4,-0.1 -5,-0.4 -1,-0.1 -0.375 360.0 360.0 -63.4 83.3 83.1 58.6 34.0 244 244 A D 0 0 154 -2,-1.9 -1,-0.2 -143,-0.0 -2,-0.1 0.830 360.0 360.0 32.8 360.0 81.2 56.5 36.6