==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-05 2FGN . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.P.BENFIELD,S.F.MARTIN . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 73.3 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 . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 2 1 0 1 0 1 1 0 1 1 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 2 0, 0.0 146,-0.1 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 163.0 21.2 90.7 25.2 2 2 A S + 0 0 4 144,-0.4 12,-2.1 1,-0.1 13,-0.2 -0.268 360.0 172.8 -69.8 157.7 24.4 91.5 23.2 3 3 A A + 0 0 2 9,-0.2 9,-0.3 10,-0.2 52,-0.1 -0.292 27.3 141.6-159.8 52.0 27.9 90.7 24.3 4 4 A E + 0 0 111 7,-2.8 2,-0.5 1,-0.1 8,-0.2 0.772 62.1 51.4 -72.6 -32.3 29.8 91.7 21.2 5 5 A D S S- 0 0 49 6,-0.4 3,-0.3 3,-0.3 10,-0.2 -0.943 71.8-145.8-115.8 131.8 32.8 93.2 23.0 6 6 A K S S+ 0 0 83 -2,-0.5 46,-0.2 1,-0.2 -1,-0.1 0.890 94.1 12.1 -59.2 -47.8 34.8 91.3 25.6 7 7 A H S S+ 0 0 86 45,-0.0 2,-0.4 42,-0.0 -1,-0.2 0.138 112.0 79.9-123.3 22.3 35.8 94.2 27.9 8 8 A K - 0 0 137 -3,-0.3 -3,-0.3 1,-0.1 3,-0.3 -0.976 60.4-147.9-130.5 144.6 33.7 97.1 26.7 9 9 A E S > S+ 0 0 55 -2,-0.4 3,-1.9 1,-0.2 7,-0.2 0.704 78.7 94.1 -80.8 -22.3 30.1 98.1 27.5 10 10 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -6,-0.0 3,-0.1 0.853 109.9 5.5 -34.6 -61.5 29.6 99.7 24.1 11 11 A V T 3 S+ 0 0 64 -3,-0.3 -7,-2.8 1,-0.1 -6,-0.4 -0.188 114.9 88.8-121.4 39.0 28.1 96.6 22.4 12 12 A N <> + 0 0 0 -3,-1.9 4,-2.3 -9,-0.3 3,-0.3 -0.688 41.9 172.0-136.8 80.4 28.0 94.4 25.4 13 13 A S H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 -10,-0.2 0.810 80.3 59.5 -58.4 -30.7 24.6 94.8 27.2 14 14 A H H > S+ 0 0 3 -12,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.932 107.2 43.2 -64.8 -46.8 25.5 91.9 29.4 15 15 A L H > S+ 0 0 2 -3,-0.3 4,-3.0 -13,-0.2 5,-0.2 0.908 113.1 54.1 -64.7 -42.2 28.6 93.5 30.8 16 16 A W H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.931 107.9 49.3 -57.2 -48.3 26.7 96.7 31.2 17 17 A I H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.936 113.3 46.3 -58.2 -48.0 23.9 95.1 33.2 18 18 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 112.0 50.8 -61.3 -45.0 26.5 93.4 35.5 19 19 A N H X S+ 0 0 15 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.894 111.6 47.5 -60.8 -40.7 28.5 96.6 35.9 20 20 A R H X S+ 0 0 23 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.864 110.1 53.1 -68.5 -35.5 25.3 98.6 36.8 21 21 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.892 108.6 49.7 -65.2 -40.0 24.3 95.8 39.3 22 22 A I H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 107.1 55.3 -66.3 -36.3 27.7 96.1 40.9 23 23 A D H X S+ 0 0 53 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.879 104.3 54.2 -63.9 -36.1 27.2 99.9 41.1 24 24 A I H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.925 108.6 48.7 -62.3 -43.8 23.9 99.2 43.0 25 25 A M H < S+ 0 0 0 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.913 111.1 50.3 -62.0 -42.8 25.9 97.1 45.5 26 26 A S H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 108.7 52.2 -63.3 -38.7 28.4 99.9 45.8 27 27 A R H < S+ 0 0 128 -4,-2.5 2,-0.8 133,-0.2 134,-0.3 0.760 90.4 89.2 -70.3 -23.7 25.7 102.5 46.4 28 28 A N < + 0 0 10 -4,-1.3 4,-0.4 -3,-0.3 -1,-0.0 -0.660 45.9 167.9 -80.7 111.6 24.2 100.3 49.2 29 29 A T + 0 0 125 -2,-0.8 -1,-0.2 2,-0.1 5,-0.1 0.356 67.3 61.5-102.7 3.9 25.9 101.4 52.4 30 30 A T S S+ 0 0 120 131,-0.1 -1,-0.1 3,-0.0 -2,-0.1 0.785 120.0 5.5-101.8 -32.6 23.5 99.5 54.7 31 31 A L S S+ 0 0 81 -6,-0.1 2,-0.5 1,-0.0 -2,-0.1 0.556 101.2 92.1-130.7 -9.4 23.7 95.8 53.9 32 32 A V - 0 0 14 -4,-0.4 2,-0.8 -7,-0.2 -1,-0.0 -0.770 63.5-139.2 -96.4 128.7 26.5 95.3 51.3 33 33 A K >> - 0 0 145 -2,-0.5 3,-2.2 1,-0.2 4,-0.5 -0.749 15.8-148.8 -81.1 113.0 30.1 94.4 52.3 34 34 A Q H 3> S+ 0 0 78 -2,-0.8 4,-1.8 1,-0.3 -1,-0.2 0.629 89.3 74.9 -61.3 -14.1 32.1 96.5 49.9 35 35 A D H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.703 88.3 62.6 -71.2 -17.0 34.9 94.0 49.8 36 36 A R H <> S+ 0 0 31 -3,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.917 104.6 45.3 -70.6 -42.6 32.6 91.9 47.7 37 37 A V H X S+ 0 0 10 -4,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.883 110.1 56.0 -65.8 -38.0 32.7 94.6 45.1 38 38 A A H X S+ 0 0 49 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.885 107.9 47.8 -62.1 -38.8 36.4 94.8 45.5 39 39 A Q H X S+ 0 0 31 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.907 108.9 52.8 -69.3 -41.1 36.8 91.1 44.8 40 40 A L H < S+ 0 0 0 -4,-2.1 7,-0.2 1,-0.2 -2,-0.2 0.892 114.4 43.6 -60.2 -39.5 34.6 91.3 41.7 41 41 A N H >< S+ 0 0 76 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.858 109.5 56.1 -74.5 -35.4 36.8 94.1 40.5 42 42 A E H 3< S+ 0 0 127 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.896 119.3 32.6 -63.1 -39.3 40.0 92.3 41.4 43 43 A W T 3X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 -1,-0.3 -0.045 83.0 125.6-107.5 31.8 39.0 89.3 39.3 44 44 A R H <> + 0 0 54 -3,-1.3 4,-3.1 1,-0.2 5,-0.3 0.831 66.2 60.0 -58.9 -37.8 37.2 91.4 36.7 45 45 A T H > S+ 0 0 79 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.952 111.0 41.0 -57.1 -48.8 39.2 90.0 33.8 46 46 A E H > S+ 0 0 30 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 113.6 53.7 -65.1 -42.9 38.0 86.5 34.6 47 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -7,-0.2 -2,-0.2 0.938 112.5 44.2 -56.9 -48.2 34.4 87.7 35.3 48 48 A E H X S+ 0 0 14 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.852 107.9 57.9 -67.1 -35.3 34.3 89.4 31.9 49 49 A N H X S+ 0 0 45 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.934 109.2 47.4 -59.1 -44.4 35.8 86.4 30.2 50 50 A G H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.904 110.2 50.0 -63.5 -44.5 32.9 84.4 31.6 51 51 A I H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.882 117.7 41.9 -61.2 -38.4 30.2 86.9 30.5 52 52 A Y H >< S+ 0 0 60 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.808 105.9 62.0 -79.0 -33.7 31.7 87.0 27.0 53 53 A A H >X S+ 0 0 3 -4,-2.7 4,-1.6 1,-0.2 3,-1.1 0.813 88.1 73.0 -64.6 -31.2 32.3 83.2 26.7 54 54 A A T 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.866 107.3 32.5 -51.1 -44.1 28.6 82.4 27.0 55 55 A D T <4 S+ 0 0 31 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.408 122.4 48.3 -95.5 1.1 27.8 83.7 23.5 56 56 A T T <4 S+ 0 0 49 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.533 104.8 27.5-122.9 -5.1 31.1 82.8 21.8 57 57 A E S X S- 0 0 91 -4,-1.6 4,-1.9 -5,-0.1 5,-0.2 -0.997 78.1 -54.2-157.1 160.8 32.2 79.2 22.6 58 58 A N T 4 S+ 0 0 77 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 -0.431 105.9 14.4 -75.4 151.5 31.2 75.6 23.4 59 59 A P T >4 S+ 0 0 75 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.982 125.1 56.4 -84.9 -9.6 29.6 74.3 25.5 60 60 A Y T 34 S+ 0 0 25 1,-0.3 -2,-0.2 -3,-0.1 8,-0.2 0.796 113.6 37.4 -48.8 -43.0 28.1 77.6 26.5 61 61 A Y T 3X>S- 0 0 51 -4,-1.9 5,-2.7 -8,-0.2 4,-1.2 0.308 101.7-129.0 -99.5 13.1 26.7 78.6 23.1 62 62 A D T X45S- 0 0 43 -3,-1.8 3,-1.3 -5,-0.2 5,-0.3 0.892 71.4 -46.0 43.2 62.2 25.6 75.2 22.1 63 63 A N T 345S- 0 0 114 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.889 111.1 -54.6 51.8 45.0 27.2 75.1 18.6 64 64 A S T 345S+ 0 0 71 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.707 122.2 102.4 63.6 23.3 25.9 78.5 17.8 65 65 A T T <<5 - 0 0 48 -3,-1.3 -3,-0.2 -4,-1.2 -2,-0.1 0.574 69.4-151.6-104.3 -17.4 22.3 77.6 18.5 66 66 A F > < + 0 0 68 -5,-2.7 3,-2.1 1,-0.1 -4,-0.2 0.743 39.6 152.1 52.2 26.9 22.4 79.4 21.9 67 67 A A G > + 0 0 3 -5,-0.3 3,-1.7 1,-0.3 19,-0.3 0.885 65.2 57.6 -53.0 -43.7 19.7 76.9 23.2 68 68 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.3 17,-0.2 22,-0.2 0.547 94.0 70.1 -67.9 -4.0 20.9 77.1 26.8 69 69 A H G < S+ 0 0 1 -3,-2.1 2,-0.3 16,-0.1 -1,-0.3 0.384 90.4 72.1 -94.4 4.1 20.3 80.9 26.7 70 70 A F < + 0 0 9 -3,-1.7 16,-2.7 14,-0.2 17,-0.3 -0.846 50.4 170.2-118.4 155.1 16.5 80.6 26.6 71 71 A Y - 0 0 4 57,-2.4 7,-0.2 -2,-0.3 60,-0.1 -0.733 17.9-158.3-166.7 112.9 14.0 79.5 29.2 72 72 A D B >>> -A 77 0A 16 5,-2.4 4,-2.2 -2,-0.2 5,-0.7 -0.859 11.3-154.3 -95.5 115.5 10.2 79.7 29.1 73 73 A P T 345S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 0.714 87.4 60.7 -62.7 -22.8 8.9 79.7 32.7 74 74 A D T 345S+ 0 0 126 1,-0.2 107,-0.0 3,-0.1 -2,-0.0 0.835 125.7 13.0 -78.1 -31.2 5.5 78.2 31.8 75 75 A N T <45S- 0 0 84 -3,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.418 97.4-126.6-120.3 -3.5 6.8 75.0 30.3 76 76 A G T <5 + 0 0 22 -4,-2.2 2,-0.3 1,-0.2 9,-0.1 0.746 66.9 121.9 64.6 27.8 10.3 75.1 31.6 77 77 A K B < -A 72 0A 130 -5,-0.7 -5,-2.4 7,-0.0 -1,-0.2 -0.774 57.1-133.0-122.9 163.9 11.9 74.7 28.1 78 78 A T - 0 0 10 5,-0.4 4,-0.1 2,-0.3 5,-0.1 -0.407 46.7 -91.5 -97.7-177.5 14.2 76.3 25.6 79 79 A Y S S+ 0 0 75 -12,-0.2 -12,-0.1 -2,-0.2 54,-0.1 0.580 108.7 69.7 -77.1 -9.8 13.3 76.7 21.9 80 80 A I S > S- 0 0 57 -13,-0.1 3,-2.0 4,-0.1 -2,-0.3 -0.946 95.1-110.2-110.7 120.5 14.9 73.4 20.8 81 81 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.180 97.0 4.0 -49.8 134.1 13.2 70.2 22.0 82 82 A F T 3 S+ 0 0 221 1,-0.2 2,-0.2 -4,-0.1 -5,-0.0 0.449 98.1 131.7 69.5 4.4 15.2 68.3 24.6 83 83 A A < - 0 0 35 -3,-2.0 -5,-0.4 1,-0.1 -1,-0.2 -0.507 65.6 -97.4 -87.6 156.9 17.9 70.9 24.9 84 84 A K - 0 0 130 -2,-0.2 -14,-0.2 -3,-0.1 2,-0.2 -0.427 44.6-148.6 -68.5 145.3 19.3 72.3 28.2 85 85 A Q > - 0 0 22 -9,-0.1 4,-1.8 -16,-0.1 -14,-0.2 -0.561 25.1 -95.5-112.8 178.5 17.8 75.7 29.1 86 86 A A H > S+ 0 0 0 -16,-2.7 4,-2.5 -19,-0.3 5,-0.3 0.757 113.5 58.3 -65.2 -30.5 18.9 78.8 30.9 87 87 A K H > S+ 0 0 43 -17,-0.3 4,-2.0 2,-0.2 5,-0.2 0.978 113.7 35.8 -66.6 -54.4 17.6 77.9 34.4 88 88 A E H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.848 121.0 49.4 -67.0 -34.2 19.5 74.7 34.8 89 89 A T H X S+ 0 0 13 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.929 111.0 47.4 -72.4 -45.3 22.6 76.1 33.0 90 90 A G H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.910 114.4 47.7 -62.1 -41.4 22.8 79.4 35.0 91 91 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.878 106.0 59.9 -66.2 -37.9 22.4 77.4 38.2 92 92 A K H X S+ 0 0 111 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.936 110.6 39.3 -54.7 -50.6 25.1 75.0 37.1 93 93 A Y H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.748 108.9 61.8 -74.6 -23.1 27.7 77.7 36.8 94 94 A F H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.937 111.4 40.0 -65.5 -45.0 26.5 79.5 40.0 95 95 A K H X S+ 0 0 93 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.902 113.7 51.4 -71.6 -43.4 27.4 76.4 41.9 96 96 A L H X S+ 0 0 51 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.921 111.4 50.2 -60.1 -41.4 30.6 75.6 40.1 97 97 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.941 111.3 48.6 -60.3 -48.2 31.6 79.2 40.8 98 98 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.898 109.9 50.0 -59.6 -45.3 30.8 78.8 44.4 99 99 A E H X S+ 0 0 103 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.912 112.8 47.1 -61.1 -44.8 32.7 75.6 44.9 100 100 A S H <>S+ 0 0 17 -4,-2.2 5,-2.5 -5,-0.2 3,-0.4 0.925 109.1 55.0 -62.8 -43.5 35.8 77.0 43.3 101 101 A Y H ><5S+ 0 0 30 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.912 107.8 49.0 -55.5 -45.5 35.5 80.2 45.4 102 102 A K H 3<5S+ 0 0 125 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.785 109.0 53.6 -66.4 -26.2 35.4 78.0 48.6 103 103 A N T 3<5S- 0 0 108 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.272 117.1-114.6 -91.3 11.4 38.5 76.2 47.3 104 104 A K T < 5S+ 0 0 167 -3,-1.6 2,-1.2 1,-0.2 -3,-0.2 0.705 73.8 135.7 64.0 21.7 40.3 79.5 46.8 105 105 A D >< + 0 0 74 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.750 25.8 172.2 -99.3 84.2 40.5 79.1 43.0 106 106 A M H > + 0 0 33 -2,-1.2 4,-2.7 2,-0.2 5,-0.3 0.857 69.7 52.0 -64.1 -42.4 39.5 82.7 42.2 107 107 A K H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.934 114.9 43.7 -62.1 -44.5 40.0 82.8 38.5 108 108 A Q H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 114.4 52.7 -63.6 -46.5 37.9 79.6 38.1 109 109 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.938 113.7 38.0 -55.8 -56.7 35.3 81.0 40.5 110 110 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.734 111.8 59.0 -73.5 -21.2 34.7 84.4 38.9 111 111 A F H X S+ 0 0 36 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.960 112.1 40.8 -68.4 -49.7 34.9 83.0 35.4 112 112 A Y H X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.835 111.8 56.1 -66.2 -31.8 32.0 80.7 36.2 113 113 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.931 105.2 53.2 -64.9 -42.2 30.2 83.5 38.1 114 114 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.890 108.5 49.4 -58.1 -41.5 30.4 85.6 34.9 115 115 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.3 0.954 111.1 49.0 -62.4 -50.2 28.8 82.8 33.0 116 116 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.894 109.5 52.0 -56.9 -43.3 26.0 82.4 35.5 117 117 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.847 106.2 56.3 -63.5 -33.3 25.4 86.1 35.5 118 118 A H H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.951 107.9 46.0 -62.6 -50.3 25.1 86.0 31.7 119 119 A Y H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.906 112.1 51.1 -61.1 -41.7 22.4 83.4 31.8 120 120 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.919 109.3 52.3 -61.3 -41.5 20.5 85.3 34.5 121 121 A G H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.924 105.2 55.8 -60.1 -43.8 20.8 88.4 32.3 122 122 A D H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 6,-0.4 0.889 99.5 56.5 -57.8 -44.4 19.3 86.5 29.3 123 123 A V 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4,-3.3 2,-0.2 5,-0.3 0.884 97.1 55.1 -58.3 -37.9 17.1 78.4 39.9 174 174 A E H <> S+ 0 0 102 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.840 109.2 47.5 -64.3 -33.2 14.3 80.2 41.7 175 175 A W H X S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.4 -2,-0.2 0.924 114.5 44.7 -72.9 -45.7 16.0 83.5 40.8 176 176 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.931 117.0 46.1 -64.4 -44.8 16.4 82.6 37.2 177 177 A H H X S+ 0 0 56 -4,-3.3 4,-2.1 -5,-0.2 -2,-0.2 0.937 113.3 50.1 -62.3 -46.7 12.9 81.2 37.0 178 178 A G H X S+ 0 0 6 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.892 110.0 49.0 -59.7 -42.3 11.5 84.3 38.8 179 179 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.904 110.0 52.9 -64.7 -40.3 13.3 86.7 36.5 180 180 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.879 104.0 56.4 -62.6 -39.4 12.0 84.8 33.5 181 181 A V H X S+ 0 0 45 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.949 110.4 43.7 -57.6 -50.3 8.4 85.0 34.7 182 182 A V H X S+ 0 0 33 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.901 113.2 52.1 -62.9 -42.5 8.5 88.8 34.9 183 183 A A H < S+ 0 0 0 -4,-2.3 3,-0.5 -60,-0.2 4,-0.4 0.921 109.3 48.9 -60.9 -44.8 10.3 89.0 31.6 184 184 A K H >< S+ 0 0 57 -4,-2.9 3,-1.2 1,-0.3 4,-0.4 0.875 105.6 58.0 -64.3 -35.7 7.6 86.9 29.8 185 185 A Q H 3< S+ 0 0 133 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.838 109.9 45.6 -60.6 -31.8 4.9 89.0 31.4 186 186 A D T >< S+ 0 0 17 -4,-1.3 3,-2.1 -3,-0.5 -1,-0.3 0.448 83.4 101.6 -90.8 -2.4 6.6 92.0 29.6 187 187 A Y G X> S+ 0 0 56 -3,-1.2 4,-2.8 -4,-0.4 3,-2.2 0.864 74.4 58.4 -48.6 -47.2 7.0 90.2 26.3 188 188 A S G 34 S+ 0 0 81 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.580 93.8 68.5 -64.8 -8.3 4.0 91.9 24.7 189 189 A G G <4 S+ 0 0 18 -3,-2.1 30,-0.3 1,-0.1 -1,-0.3 0.543 116.3 23.5 -86.2 -6.3 5.6 95.2 25.3 190 190 A I T <4 S+ 0 0 0 -3,-2.2 2,-0.6 1,-0.3 -2,-0.2 0.660 125.6 45.3-121.1 -46.4 8.3 94.3 22.8 191 191 A V S < S+ 0 0 11 -4,-2.8 2,-0.3 4,-0.1 -1,-0.3 -0.913 75.1 115.2-111.8 111.6 6.7 91.8 20.5 192 192 A N S > S- 0 0 41 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.927 77.5 -79.7-158.1 177.0 3.2 92.4 19.2 193 193 A D H > S+ 0 0 112 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.892 125.7 50.3 -54.6 -42.6 1.2 93.1 16.0 194 194 A N H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.956 113.3 42.0 -62.7 -54.0 2.3 96.7 16.0 195 195 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 116.2 51.6 -63.0 -35.0 6.0 96.2 16.4 196 196 A K H X S+ 0 0 50 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.934 112.7 43.8 -67.2 -44.7 5.9 93.3 14.0 197 197 A D H X S+ 0 0 80 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.910 116.7 46.3 -66.2 -42.7 4.1 95.3 11.3 198 198 A W H X S+ 0 0 38 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.866 109.6 53.6 -69.4 -36.1 6.3 98.4 11.8 199 199 A F H < S+ 0 0 32 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.910 109.8 49.0 -63.9 -41.3 9.5 96.3 11.8 200 200 A V H >< S+ 0 0 76 -4,-1.8 3,-1.4 1,-0.2 4,-0.2 0.935 111.7 47.6 -63.4 -46.4 8.5 94.8 8.5 201 201 A K H >< S+ 0 0 103 -4,-2.1 3,-1.8 1,-0.3 4,-0.4 0.773 95.1 75.8 -66.3 -25.5 7.7 98.2 7.0 202 202 A A G >< S+ 0 0 23 -4,-1.7 3,-0.7 6,-0.3 -1,-0.3 0.754 76.3 80.0 -57.3 -23.9 11.1 99.5 8.3 203 203 A A G < S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.853 114.9 12.3 -52.6 -37.7 12.7 97.6 5.5 204 204 A V G < S+ 0 0 138 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.3 0.113 122.7 69.8-128.3 20.9 11.7 100.4 3.0 205 205 A S <> - 0 0 31 -3,-0.7 4,-1.4 -4,-0.4 -1,-0.1 -0.905 49.9-167.2-146.8 114.8 10.7 103.2 5.4 206 206 A Q H > S+ 0 0 137 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.851 94.6 62.0 -64.5 -33.8 13.0 105.2 7.8 207 207 A E H > S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 107.3 41.3 -57.4 -48.7 9.8 106.4 9.4 208 208 A Y H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -6,-0.3 0.742 108.3 61.8 -73.1 -22.7 8.8 102.9 10.5 209 209 A A H X S+ 0 0 10 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.935 110.9 39.0 -66.8 -44.5 12.4 102.1 11.5 210 210 A D H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.790 111.3 65.0 -73.2 -27.9 12.2 104.9 14.1 211 211 A K H X S+ 0 0 88 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.952 103.9 38.9 -62.3 -55.1 8.7 103.9 14.8 212 212 A W H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.890 114.2 56.1 -67.2 -34.8 9.2 100.4 16.3 213 213 A R H X S+ 0 0 69 -4,-1.2 4,-0.8 -5,-0.3 -1,-0.2 0.945 110.3 44.4 -60.1 -47.2 12.4 101.6 18.1 214 214 A A H >< S+ 0 0 63 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.912 111.6 56.0 -61.9 -41.7 10.4 104.3 19.9 215 215 A E H 3< S+ 0 0 81 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.857 110.9 40.8 -59.3 -41.7 7.6 101.8 20.6 216 216 A V H 3X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.523 93.7 88.7 -87.5 -5.9 9.8 99.2 22.4 217 217 A T H S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.948 115.5 41.6 -56.7 -49.6 9.7 102.2 27.4 219 219 A M H > S+ 0 0 41 -4,-0.4 4,-2.8 -30,-0.3 -2,-0.2 0.858 111.5 56.8 -66.3 -33.5 9.5 98.4 28.1 220 220 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.903 105.4 52.2 -63.2 -38.3 13.2 98.1 27.2 221 221 A G H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.936 110.0 48.3 -62.1 -44.8 13.9 100.6 29.9 222 222 A K H X S+ 0 0 82 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.928 111.7 48.7 -60.9 -47.4 11.8 98.5 32.4 223 223 A R H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.891 110.9 50.1 -61.8 -41.3 13.6 95.3 31.5 224 224 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.944 113.6 45.0 -63.2 -47.4 17.1 96.8 31.8 225 225 A M H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.918 113.8 48.6 -64.2 -44.3 16.3 98.3 35.2 226 226 A D H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.936 109.5 54.5 -59.7 -45.4 14.7 95.1 36.5 227 227 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.876 108.1 49.2 -55.7 -40.4 17.7 93.1 35.2 228 228 A Q H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.951 112.5 46.0 -65.6 -49.6 20.1 95.3 37.2 229 229 A R H X S+ 0 0 43 -4,-2.2 -65,-2.5 1,-0.2 4,-1.8 0.883 115.3 46.7 -61.5 -40.8 18.2 95.0 40.4 230 230 A V H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.909 112.0 50.4 -68.7 -42.5 17.8 91.3 40.1 231 231 A T H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.910 108.0 53.5 -63.5 -40.4 21.4 90.8 39.2 232 232 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.934 111.6 45.2 -59.2 -46.0 22.5 92.8 42.2 233 233 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -67,-0.4 0.838 111.1 53.7 -66.3 -33.3 20.5 90.6 44.5 234 234 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.896 108.9 47.9 -67.6 -42.7 21.8 87.5 42.8 235 235 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.921 110.4 52.3 -64.9 -43.8 25.4 88.5 43.3 236 236 A Q H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.904 108.6 51.5 -59.3 -41.0 24.7 89.3 46.9 237 237 A L H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.913 106.2 54.9 -61.5 -42.9 23.1 85.8 47.3 238 238 A W H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.934 112.0 41.8 -56.9 -49.9 26.3 84.2 45.8 239 239 A F H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.882 113.2 53.1 -66.5 -39.0 28.6 85.8 48.3 240 240 A D H < S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.880 115.6 42.6 -62.5 -37.0 26.2 85.1 51.2 241 241 A T H < S+ 0 0 62 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 131.4 18.0 -75.8 -47.1 26.1 81.5 50.1 242 242 A Y H < 0 0 43 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.580 360.0 360.0-105.6 -11.7 29.8 80.9 49.4 243 243 A G < 0 0 80 -4,-2.6 -1,-0.2 -5,-0.3 -4,-0.1 -0.011 360.0 360.0 -87.6 360.0 31.7 83.7 51.1