==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JAN-12 4DC3 . COMPND 2 MOLECULE: ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR L.ROMANELLO,F.R.BACHEGA,R.C.GARATT,R.DEMARCO,J.BRANDAO-NETO, . 683 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 62 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 2 4 0 2 2 2 2 2 4 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 2 4 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 . 0 0 2 2 2 1 1 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 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 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 4 A L 0 0 68 0, 0.0 3,-0.1 0, 0.0 307,-0.0 0.000 360.0 360.0 360.0 135.2 16.5 -47.0 -18.6 2 5 A S > - 0 0 64 1,-0.1 3,-1.1 153,-0.1 2,-0.1 -0.264 360.0 -78.7 -76.8 167.2 18.6 -47.0 -15.4 3 6 A E T 3 S+ 0 0 101 1,-0.3 76,-0.3 2,-0.1 -1,-0.1 -0.438 117.0 15.4 -69.0 138.6 19.5 -44.0 -13.3 4 7 A G T 3 S+ 0 0 1 74,-2.5 -1,-0.3 -2,-0.1 76,-0.2 0.780 80.6 141.6 68.5 27.8 22.4 -41.9 -14.8 5 8 A Y < + 0 0 57 -3,-1.1 152,-2.7 74,-0.6 153,-1.9 0.817 64.4 50.5 -68.4 -32.3 22.0 -43.7 -18.1 6 9 A V E S-ab 80 158A 0 73,-2.6 75,-2.8 150,-0.2 2,-0.4 -0.933 72.7-167.0-111.9 128.7 22.7 -40.4 -19.9 7 10 A F E -ab 81 159A 0 151,-3.1 153,-2.1 -2,-0.5 2,-0.4 -0.940 5.2-177.3-117.4 138.1 25.7 -38.2 -19.1 8 11 A G E -ab 82 160A 0 73,-2.2 75,-1.9 -2,-0.4 2,-0.4 -0.984 6.0-176.2-132.2 144.4 26.4 -34.7 -20.2 9 12 A M E +a 83 0A 0 151,-1.1 153,-0.4 -2,-0.4 2,-0.2 -0.993 30.3 105.0-139.3 131.9 29.3 -32.3 -19.6 10 13 A G - 0 0 0 73,-1.8 75,-0.5 -2,-0.4 151,-0.0 -0.850 66.5 -40.8-170.0-154.7 29.4 -28.7 -20.7 11 14 A N - 0 0 10 -2,-0.2 2,-0.8 73,-0.2 53,-0.2 -0.865 42.9-148.6-104.2 105.5 29.3 -25.0 -19.9 12 15 A P + 0 0 0 0, 0.0 106,-0.4 0, 0.0 2,-0.3 -0.631 32.0 172.0 -73.6 107.7 26.6 -24.0 -17.4 13 16 A L - 0 0 13 -2,-0.8 47,-3.4 47,-0.5 2,-0.6 -0.840 34.2-128.7-121.0 154.4 25.6 -20.5 -18.5 14 17 A L E -Ij 59 119B 5 104,-1.9 106,-2.2 -2,-0.3 2,-0.5 -0.910 23.8-141.9-102.7 116.5 22.9 -18.0 -17.5 15 18 A D E -Ij 58 120B 16 43,-3.2 43,-2.5 -2,-0.6 2,-0.8 -0.659 9.7-161.1 -80.4 122.1 21.0 -16.7 -20.5 16 19 A I E -Ij 57 121B 6 104,-2.8 106,-2.6 -2,-0.5 2,-0.5 -0.875 12.3-164.7-104.9 101.7 20.1 -13.0 -20.1 17 20 A I E +Ij 56 122B 23 39,-2.8 39,-2.2 -2,-0.8 2,-0.3 -0.749 16.2 161.4 -96.1 129.0 17.3 -12.3 -22.6 18 21 A V E - j 0 123B 5 104,-2.3 106,-2.6 -2,-0.5 2,-0.9 -0.999 46.2-112.0-146.7 139.4 16.4 -8.7 -23.5 19 22 A D E - j 0 124B 83 -2,-0.3 106,-0.2 35,-0.2 2,-0.2 -0.636 48.6-146.6 -68.6 108.0 14.6 -6.9 -26.3 20 23 A A - 0 0 14 104,-3.4 2,-0.1 -2,-0.9 -1,-0.0 -0.475 3.7-122.7 -86.4 149.6 17.5 -5.1 -27.9 21 24 A D >> - 0 0 67 -2,-0.2 4,-0.6 1,-0.1 3,-0.5 -0.384 29.8-109.1 -78.7 164.9 17.5 -1.7 -29.6 22 25 A D H >> S+ 0 0 134 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.825 115.6 57.5 -66.7 -33.4 18.7 -1.3 -33.2 23 26 A F H 3> S+ 0 0 81 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.783 91.8 71.9 -69.4 -26.7 21.9 0.4 -32.3 24 27 A M H <> S+ 0 0 6 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.869 97.6 47.7 -56.8 -41.0 23.0 -2.5 -30.1 25 28 A Y H <<>S+ 0 0 37 -4,-0.6 5,-2.4 -3,-0.5 4,-0.4 0.848 116.7 42.5 -71.5 -35.4 23.7 -4.7 -33.1 26 29 A R H <5S+ 0 0 181 -4,-0.9 -2,-0.2 3,-0.2 -1,-0.2 0.841 113.1 54.0 -77.1 -35.1 25.7 -2.0 -34.9 27 30 A K H <5S+ 0 0 113 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.892 121.4 28.1 -66.6 -42.3 27.5 -1.0 -31.8 28 31 A Y T <5S- 0 0 5 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.354 107.7-120.5-103.7 4.3 28.8 -4.4 -31.0 29 32 A N T 5 + 0 0 123 -4,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.961 49.1 171.3 56.2 60.3 28.9 -5.7 -34.6 30 33 A L < - 0 0 16 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.1 -0.823 18.3-152.2-106.2 140.3 26.5 -8.6 -34.1 31 34 A K > - 0 0 145 -2,-0.4 3,-0.8 98,-0.1 2,-0.3 -0.373 35.5 -70.9-100.8-178.5 25.0 -10.7 -36.9 32 35 A K T 3 S- 0 0 157 1,-0.2 96,-0.1 -2,-0.1 3,-0.1 -0.585 107.3 -14.4 -80.0 130.9 21.8 -12.7 -37.3 33 36 A D T 3 S+ 0 0 67 94,-0.4 -1,-0.2 -2,-0.3 2,-0.2 0.755 103.1 139.3 53.3 30.3 21.3 -15.9 -35.2 34 37 A N < - 0 0 58 -3,-0.8 95,-2.3 159,-0.0 2,-0.4 -0.613 45.2-144.6-104.4 162.2 25.1 -15.9 -34.5 35 38 A I E +k 129 0B 45 -2,-0.2 2,-0.4 93,-0.2 95,-0.2 -0.995 18.1 180.0-127.4 128.7 27.1 -16.7 -31.4 36 39 A V E -k 130 0B 35 93,-2.2 95,-3.2 -2,-0.4 2,-0.4 -0.975 29.4-120.6-128.6 142.3 30.3 -14.9 -30.4 37 40 A L E -k 131 0B 53 -2,-0.4 2,-0.3 93,-0.2 95,-0.2 -0.664 46.1-100.0 -78.1 132.9 32.7 -15.3 -27.5 38 41 A A - 0 0 19 93,-3.7 2,-0.1 -2,-0.4 95,-0.1 -0.348 45.3-176.4 -62.2 115.3 32.9 -12.0 -25.5 39 42 A E >> - 0 0 100 -2,-0.3 3,-1.2 93,-0.0 4,-0.8 -0.372 46.6 -88.0 -95.5-176.3 36.1 -10.1 -26.4 40 43 A E G >4 S+ 0 0 159 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.842 127.6 57.4 -64.6 -32.9 37.2 -6.8 -24.7 41 44 A K G 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.627 108.4 48.3 -72.2 -12.8 35.2 -4.8 -27.2 42 45 A H G X4 S+ 0 0 11 -3,-1.2 3,-2.4 1,-0.1 4,-0.3 0.630 82.5 94.0 -99.0 -17.5 32.0 -6.6 -26.1 43 46 A M T X< S+ 0 0 56 -4,-0.8 3,-1.0 -3,-0.5 4,-0.5 0.703 75.5 62.9 -56.6 -28.1 32.4 -6.4 -22.3 44 47 A T T 3> S+ 0 0 84 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.645 84.9 79.3 -71.3 -14.0 30.3 -3.2 -22.0 45 48 A I H <> S+ 0 0 0 -3,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.791 86.4 57.4 -65.7 -27.6 27.2 -5.1 -23.3 46 49 A Y H <> S+ 0 0 10 -3,-1.0 4,-0.6 -4,-0.3 -1,-0.2 0.854 111.1 39.9 -76.6 -35.5 26.6 -6.8 -19.9 47 50 A D H > S+ 0 0 125 -4,-0.5 4,-0.6 -3,-0.3 -1,-0.2 0.821 114.0 57.2 -75.9 -32.5 26.3 -3.6 -17.9 48 51 A E H < S+ 0 0 32 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.881 110.0 41.1 -69.1 -39.9 24.4 -2.0 -20.8 49 52 A I H >< S+ 0 0 4 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.680 102.3 70.5 -81.6 -17.9 21.6 -4.6 -20.9 50 53 A Q H 3< S+ 0 0 90 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.722 92.9 58.0 -72.5 -19.7 21.4 -4.8 -17.1 51 54 A K T 3< S+ 0 0 153 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.708 88.4 102.4 -78.3 -22.3 19.8 -1.3 -17.0 52 55 A K S < S- 0 0 74 -3,-0.7 3,-0.3 -4,-0.3 2,-0.2 -0.246 71.0-127.5 -63.0 148.7 17.1 -2.6 -19.3 53 56 A K S S+ 0 0 124 1,-0.2 -1,-0.1 403,-0.0 -2,-0.1 -0.513 84.9 35.7 -91.6 165.2 13.6 -3.4 -17.8 54 57 A K S S+ 0 0 134 1,-0.2 2,-0.3 -2,-0.2 -35,-0.2 0.889 77.0 179.5 57.5 42.5 11.8 -6.7 -18.2 55 58 A L - 0 0 22 -3,-0.3 2,-0.5 376,-0.3 -1,-0.2 -0.589 14.9-151.5 -72.5 133.4 15.0 -8.7 -18.1 56 59 A N E -I 17 0B 62 -39,-2.2 -39,-2.8 -2,-0.3 2,-0.6 -0.939 4.8-159.0-109.7 127.8 14.4 -12.5 -18.5 57 60 A Y E +I 16 0B 19 -2,-0.5 2,-0.4 -41,-0.2 -41,-0.2 -0.920 15.4 173.6-110.2 118.1 16.8 -14.9 -16.8 58 61 A I E -I 15 0B 17 -43,-2.5 -43,-3.2 -2,-0.6 2,-0.3 -0.979 36.7-114.5-126.2 133.7 17.0 -18.5 -18.1 59 62 A A E +I 14 0B 2 -2,-0.4 -45,-0.2 -45,-0.2 2,-0.1 -0.504 51.9 168.9 -62.7 122.8 19.4 -21.3 -17.2 60 63 A G + 0 0 0 -47,-3.4 -47,-0.5 -2,-0.3 4,-0.1 -0.209 24.9 134.5-122.0-152.0 21.3 -22.0 -20.4 61 64 A G > - 0 0 6 -49,-0.2 4,-2.8 3,-0.1 5,-0.2 0.313 53.5-116.5 101.4 123.8 24.3 -23.9 -21.8 62 65 A A H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.934 113.9 38.8 -57.0 -54.1 24.2 -25.9 -25.0 63 66 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 116.1 52.3 -64.3 -44.2 24.9 -29.3 -23.5 64 67 A L H > S+ 0 0 1 -53,-0.2 4,-2.8 1,-0.2 5,-0.3 0.900 107.2 53.0 -60.6 -43.0 22.8 -28.6 -20.4 65 68 A N H X S+ 0 0 7 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.926 112.8 43.9 -56.5 -48.4 19.8 -27.6 -22.5 66 69 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.951 116.3 45.8 -62.7 -51.9 20.0 -30.9 -24.5 67 70 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.901 112.1 49.8 -61.0 -44.9 20.6 -33.1 -21.4 68 71 A K H X S+ 0 0 8 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.803 111.8 49.0 -69.6 -27.3 17.8 -31.5 -19.3 69 72 A M H X S+ 0 0 0 -4,-1.4 4,-3.0 -5,-0.3 -1,-0.2 0.839 107.3 54.3 -78.9 -34.3 15.3 -31.9 -22.1 70 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.938 111.1 46.7 -58.0 -46.8 16.3 -35.5 -22.6 71 74 A Q H X S+ 0 0 5 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.882 112.6 51.0 -59.2 -40.1 15.5 -35.9 -18.9 72 75 A W H < S+ 0 0 23 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.8 46.0 -67.6 -40.7 12.3 -34.0 -19.4 73 76 A I H < S+ 0 0 7 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.940 112.0 48.4 -67.4 -49.8 11.2 -36.2 -22.4 74 77 A I H < S- 0 0 16 -4,-2.5 2,-1.2 -5,-0.2 -1,-0.2 0.763 88.7-158.3 -65.2 -26.3 12.0 -39.5 -20.8 75 78 A Q < + 0 0 113 -4,-1.3 -1,-0.2 -5,-0.2 -4,-0.1 -0.076 51.2 119.5 74.9 -36.3 10.1 -38.4 -17.6 76 79 A K > - 0 0 91 -2,-1.2 3,-1.0 1,-0.1 -1,-0.2 -0.452 69.7-115.1 -64.7 125.8 11.9 -41.0 -15.4 77 80 A P T 3 S+ 0 0 51 0, 0.0 27,-0.1 0, 0.0 26,-0.1 -0.308 87.1 10.1 -67.5 142.5 13.8 -39.1 -12.7 78 81 A F T 3 S+ 0 0 79 25,-2.3 -74,-2.5 24,-0.2 26,-0.1 0.585 82.6 123.8 70.9 15.6 17.6 -39.1 -12.4 79 82 A V < + 0 0 0 -3,-1.0 -73,-2.6 -76,-0.3 -74,-0.6 0.828 68.4 57.0 -71.8 -31.8 18.2 -40.8 -15.8 80 83 A C E -a 6 0A 0 23,-0.3 25,-1.4 -76,-0.2 2,-0.3 -0.782 67.4-164.1-104.4 145.8 20.4 -37.9 -16.9 81 84 A S E -ac 7 105A 0 -75,-2.8 -73,-2.2 -2,-0.3 2,-0.4 -0.946 5.0-165.2-123.6 147.9 23.5 -36.6 -15.2 82 85 A Y E -ac 8 106A 0 23,-2.3 25,-1.8 -2,-0.3 2,-0.4 -0.996 6.6-170.6-136.9 141.4 25.3 -33.3 -15.8 83 86 A V E +a 9 0A 0 -75,-1.9 -73,-1.8 -2,-0.4 2,-0.3 -0.996 25.9 129.8-131.3 129.9 28.7 -31.9 -14.9 84 87 A G - 0 0 0 -2,-0.4 25,-2.9 23,-0.3 2,-0.5 -0.949 49.6-101.0-160.9 177.8 29.9 -28.3 -15.3 85 88 A C E +m 109 0C 0 -75,-0.5 33,-0.3 -2,-0.3 2,-0.2 -0.954 36.2 171.6-119.4 120.1 31.5 -25.4 -13.5 86 89 A I E -m 110 0C 7 23,-2.1 25,-2.4 -2,-0.5 2,-0.2 -0.593 30.0-106.4-110.8 177.0 29.6 -22.5 -12.0 87 90 A G - 0 0 2 23,-0.2 2,-2.1 -2,-0.2 5,-0.2 -0.597 34.2 -99.5-101.4 166.3 30.6 -19.6 -9.8 88 91 A A S S+ 0 0 23 27,-0.5 2,-0.2 23,-0.3 310,-0.2 -0.420 89.0 99.5 -81.0 63.4 29.9 -18.9 -6.1 89 92 A D S > S- 0 0 11 -2,-2.1 4,-1.3 311,-0.0 3,-0.1 -0.785 90.8 -94.4-139.0 179.9 27.1 -16.6 -6.9 90 93 A I H > S+ 0 0 11 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.776 120.6 61.0 -70.6 -26.2 23.3 -16.4 -7.1 91 94 A Q H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 104.5 47.5 -67.1 -39.8 23.5 -17.2 -10.8 92 95 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.832 110.1 53.2 -69.1 -33.2 25.1 -20.5 -10.1 93 96 A K H X S+ 0 0 59 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.857 107.2 52.1 -68.7 -36.6 22.4 -21.2 -7.5 94 97 A Y H X S+ 0 0 7 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.922 112.8 44.2 -64.7 -46.0 19.7 -20.5 -10.0 95 98 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.938 114.4 49.4 -63.7 -48.8 21.2 -22.9 -12.5 96 99 A K H >X S+ 0 0 67 -4,-2.6 4,-1.7 1,-0.2 3,-0.5 0.929 113.8 44.8 -56.4 -50.8 21.9 -25.6 -9.8 97 100 A N H 3X S+ 0 0 35 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.770 107.2 59.7 -67.6 -27.2 18.3 -25.4 -8.4 98 101 A D H 3X S+ 0 0 32 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.804 106.8 47.9 -70.4 -29.3 16.8 -25.4 -12.0 99 102 A C H <<>S+ 0 0 0 -4,-1.3 5,-2.0 -3,-0.5 3,-0.4 0.885 108.7 52.3 -75.8 -41.6 18.5 -28.8 -12.6 100 103 A S H ><5S+ 0 0 57 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.817 104.2 58.3 -64.8 -31.2 17.3 -30.3 -9.3 101 104 A A H 3<5S+ 0 0 41 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 105.3 49.5 -65.3 -34.8 13.7 -29.2 -10.2 102 105 A L T 3<5S- 0 0 38 -4,-0.8 -1,-0.3 -3,-0.4 -24,-0.2 0.291 120.0-111.6 -87.1 9.8 14.0 -31.3 -13.4 103 106 A D T < 5 + 0 0 70 -3,-1.2 -25,-2.3 1,-0.2 2,-0.6 0.928 64.7 156.3 56.5 49.1 15.2 -34.3 -11.3 104 107 A L < - 0 0 5 -5,-2.0 2,-0.3 -27,-0.1 -1,-0.2 -0.928 41.9-132.7-111.0 115.3 18.6 -34.0 -12.9 105 108 A V E -c 81 0A 45 -25,-1.4 -23,-2.3 -2,-0.6 2,-0.3 -0.498 35.0-178.2 -67.7 125.5 21.6 -35.4 -11.0 106 109 A T E -c 82 0A 8 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.941 32.8-171.3-131.4 149.9 24.4 -32.9 -11.0 107 110 A E - 0 0 64 -25,-1.8 -23,-0.3 -2,-0.3 2,-0.1 -0.604 26.7-173.1-133.4 73.0 28.0 -32.5 -9.7 108 111 A F - 0 0 25 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.338 17.1-136.4 -68.1 145.6 28.8 -28.9 -10.3 109 112 A Q E -m 85 0C 32 -25,-2.9 -23,-2.1 -2,-0.1 2,-0.6 -0.858 14.0-137.7 -98.8 137.7 32.3 -27.5 -9.8 110 113 A I E -m 86 0C 98 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.873 18.3-138.7 -99.6 118.6 32.7 -24.2 -8.0 111 114 A A - 0 0 4 -25,-2.4 -23,-0.3 -2,-0.6 2,-0.3 -0.290 32.1 -88.1 -70.5 156.6 35.3 -21.9 -9.5 112 115 A E > - 0 0 159 -25,-0.1 3,-1.7 1,-0.1 -1,-0.1 -0.502 68.1 -76.2 -67.4 127.4 37.6 -19.8 -7.4 113 116 A E T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.3 283,-0.1 -0.250 110.8 30.4 -63.2 153.8 36.1 -16.5 -6.4 114 117 A P T 3 S+ 0 0 113 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 -0.803 90.0 109.4 -93.0 35.7 35.6 -13.9 -7.6 115 118 A L < - 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0 0 0 -4,-0.7 -151,-0.2 -3,-0.3 -150,-0.2 -0.456 47.6-175.4 -81.1 150.5 26.3 -43.9 -18.0 157 162 A Q S S+ 0 0 76 -152,-2.7 29,-2.5 1,-0.2 2,-0.4 0.469 73.9 50.0-117.0 -12.4 25.8 -45.6 -21.4 158 163 A V E -bd 6 186A 4 -153,-1.9 -151,-3.1 27,-0.2 2,-0.4 -0.997 66.3-166.7-133.0 131.9 25.1 -42.5 -23.5 159 164 A Y E -bd 7 187A 0 27,-3.1 29,-3.0 -2,-0.4 2,-0.4 -0.929 7.9-171.7-120.1 143.2 27.1 -39.3 -23.6 160 165 A Y E +bd 8 188A 0 -153,-2.1 -151,-1.1 -2,-0.4 2,-0.4 -0.968 13.5 164.8-131.0 120.0 26.3 -35.8 -25.0 161 166 A I E - d 0 189A 0 27,-2.0 29,-1.1 -2,-0.4 -151,-0.1 -0.972 27.1-138.9-135.0 120.0 29.0 -33.2 -25.2 162 167 A A E > - d 0 190A 0 -2,-0.4 3,-1.4 -153,-0.4 29,-0.1 -0.344 25.5-115.8 -70.0 156.6 28.7 -30.0 -27.3 163 168 A G G > S+ 0 0 1 27,-1.2 3,-1.6 1,-0.3 4,-0.3 0.652 107.3 79.4 -66.5 -15.8 31.7 -28.8 -29.2 164 169 A F G > S+ 0 0 35 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.761 77.7 70.9 -61.5 -26.3 31.7 -25.6 -27.0 165 170 A V G <> S+ 0 0 1 -3,-1.4 4,-2.6 1,-0.3 3,-0.3 0.621 78.5 78.8 -70.7 -12.2 33.4 -27.6 -24.3 166 171 A I H <> S+ 0 0 11 -3,-1.6 4,-0.7 1,-0.2 -1,-0.3 0.897 93.2 49.2 -60.1 -40.1 36.6 -27.6 -26.4 167 172 A N H <4 S+ 0 0 56 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.752 121.9 32.6 -70.3 -25.0 37.3 -24.1 -25.3 168 173 A T H 4 S- 0 0 13 -4,-0.5 -2,-0.2 -3,-0.3 -3,-0.1 0.885 137.1 -3.2-102.4 -51.7 36.7 -24.9 -21.6 169 174 A C H X + 0 0 0 -4,-2.6 4,-1.9 1,-0.1 3,-0.4 -0.482 61.9 155.5-148.0 70.8 37.8 -28.4 -20.8 170 175 A Y H X S+ 0 0 24 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.871 78.4 58.2 -65.8 -37.2 39.0 -30.3 -23.8 171 176 A E H > S+ 0 0 100 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.800 108.3 47.9 -63.2 -28.9 41.1 -32.7 -21.7 172 177 A G H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.925 111.9 45.5 -77.3 -48.2 38.0 -33.7 -19.8 173 178 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.815 111.3 55.5 -66.3 -30.0 35.7 -34.3 -22.8 174 179 A L H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.895 105.9 50.3 -68.3 -40.7 38.5 -36.3 -24.5 175 180 A K H X S+ 0 0 81 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.867 111.7 47.9 -66.0 -37.6 38.9 -38.6 -21.5 176 181 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.874 111.1 52.0 -69.2 -37.3 35.2 -39.3 -21.4 177 182 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.908 109.0 48.7 -65.0 -44.0 35.2 -39.9 -25.2 178 183 A K H X S+ 0 0 99 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.872 112.0 50.9 -63.8 -37.0 38.1 -42.4 -24.9 179 184 A H H X S+ 0 0 14 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.911 109.3 50.7 -63.8 -44.5 36.1 -44.1 -22.1 180 185 A S H <>S+ 0 0 0 -4,-2.4 5,-3.4 2,-0.2 -2,-0.2 0.921 113.0 43.2 -61.6 -48.7 33.0 -44.3 -24.3 181 186 A L H ><5S+ 0 0 6 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.883 112.8 53.8 -66.0 -38.9 34.7 -45.9 -27.3 182 187 A E H 3<5S+ 0 0 158 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.844 115.0 40.1 -64.3 -35.1 36.6 -48.3 -25.1 183 188 A N T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.224 113.5-115.6-100.1 13.4 33.4 -49.4 -23.4 184 189 A E T < 5 + 0 0 121 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.862 63.8 151.3 55.3 41.9 31.3 -49.5 -26.6 185 190 A K < - 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