==== 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 25-OCT-06 2J8G . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE CP-1; . AUTHOR I.PEREZ-DORADO,J.A.HERMOSO . 341 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.1 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 . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 34 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 1 3 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 5 1 0 3 6 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 . 1 3 0 0 1 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 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 2 A V 0 0 34 0, 0.0 188,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.8 53.5 14.5 21.5 2 3 A K > - 0 0 86 186,-0.2 3,-2.4 1,-0.2 183,-0.3 -0.788 360.0 -58.8-122.1 166.1 49.8 14.0 21.1 3 4 A K T 3 S+ 0 0 48 -2,-0.3 183,-0.2 1,-0.3 -1,-0.2 -0.107 122.5 15.1 -41.1 133.6 47.4 11.0 20.9 4 5 A N T 3 S+ 0 0 16 181,-3.2 -1,-0.3 1,-0.3 182,-0.1 0.356 89.3 136.5 71.6 3.3 48.4 8.7 18.0 5 6 A D < - 0 0 44 -3,-2.4 180,-2.3 180,-0.1 2,-0.3 -0.383 46.6-133.9 -66.4 157.7 51.8 10.1 17.4 6 7 A L E +A 184 0A 52 178,-0.2 2,-0.3 -3,-0.1 23,-0.3 -0.776 26.3 170.7-115.1 155.0 54.5 7.5 16.8 7 8 A F E -A 183 0A 0 176,-1.5 176,-1.9 -2,-0.3 2,-0.3 -0.965 20.5-138.6-156.5 156.2 58.0 7.2 18.2 8 9 A V E -Ab 182 30A 0 21,-2.2 23,-1.9 -2,-0.3 2,-0.4 -0.848 11.2-144.5-112.7 150.7 60.8 4.6 18.2 9 10 A D E -Ab 181 31A 4 172,-1.1 172,-0.5 -2,-0.3 2,-0.3 -0.955 21.9-175.8-112.3 145.0 63.1 3.5 21.1 10 11 A V E + b 0 32A 0 21,-1.8 23,-2.4 -2,-0.4 2,-0.2 -0.928 14.6 169.9-138.2 159.4 66.7 2.6 20.5 11 12 A S > - 0 0 20 -2,-0.3 3,-1.9 21,-0.2 4,-0.3 -0.705 64.9 -65.3-144.4-168.5 69.8 1.3 22.4 12 13 A S G > S+ 0 0 51 1,-0.3 3,-1.7 -2,-0.2 4,-0.0 0.788 124.7 76.0 -60.5 -24.5 73.2 0.0 21.3 13 14 A H G 3 S+ 0 0 174 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.737 94.8 50.8 -55.3 -20.5 71.3 -2.9 19.6 14 15 A N G < S- 0 0 45 -3,-1.9 3,-0.4 1,-0.2 -1,-0.3 0.458 104.4-144.0-100.3 -4.4 70.4 -0.3 16.9 15 16 A G < - 0 0 23 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 -0.105 35.6 -52.8 77.8-171.6 73.9 0.9 16.3 16 17 A Y S S+ 0 0 139 1,-0.2 2,-0.4 31,-0.1 -1,-0.2 0.426 121.3 58.3 -91.6 -2.3 75.4 4.3 15.4 17 18 A D + 0 0 103 -3,-0.4 -1,-0.2 1,-0.1 4,-0.1 -0.929 47.2 155.4-133.3 112.0 73.1 4.9 12.4 18 19 A I > + 0 0 2 -2,-0.4 4,-2.0 29,-0.1 5,-0.2 0.200 44.7 106.8-114.2 10.6 69.3 4.9 13.0 19 20 A T H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 78.1 55.4 -62.6 -34.5 68.4 7.2 10.1 20 21 A G H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 108.0 45.0 -63.2 -46.5 67.0 4.1 8.2 21 22 A I H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 111.8 53.6 -70.1 -29.9 64.6 3.1 11.0 22 23 A L H X>S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 5,-1.3 0.908 110.4 47.3 -68.7 -40.3 63.4 6.7 11.4 23 24 A E H <5S+ 0 0 155 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.907 111.8 50.4 -62.4 -42.8 62.6 6.9 7.7 24 25 A Q H <5S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.6 44.1 -61.9 -41.2 60.8 3.6 7.8 25 26 A M H <5S- 0 0 23 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.776 104.8-130.3 -78.4 -27.4 58.7 4.7 10.7 26 27 A G T <5S+ 0 0 69 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.705 74.5 83.8 82.2 22.0 58.0 8.2 9.3 27 28 A T < - 0 0 26 -5,-1.3 -1,-0.3 2,-0.1 -2,-0.2 -0.986 61.4-152.2-148.7 154.7 59.0 10.0 12.5 28 29 A T + 0 0 76 -2,-0.3 25,-2.8 -22,-0.1 2,-0.3 0.359 60.0 123.5-101.7 -0.3 62.2 11.4 14.2 29 30 A N E + c 0 53A 26 -23,-0.3 -21,-2.2 23,-0.2 2,-0.3 -0.467 40.3 171.7 -64.3 123.9 60.6 11.0 17.7 30 31 A T E -bc 8 54A 0 23,-1.5 25,-2.8 -2,-0.3 26,-1.2 -0.960 37.4-156.5-133.0 153.6 62.9 8.8 19.8 31 32 A I E -bc 9 56A 0 -23,-1.9 -21,-1.8 -2,-0.3 2,-0.4 -0.990 31.1-161.4-120.1 124.1 63.4 7.5 23.3 32 33 A I E -bc 10 57A 0 24,-1.5 26,-2.1 -2,-0.4 2,-0.2 -0.827 18.6-115.6-114.7 140.4 67.0 6.6 23.7 33 34 A K E + c 0 58A 18 -23,-2.4 26,-0.2 -2,-0.4 3,-0.1 -0.513 33.6 169.7 -71.8 131.1 68.7 4.3 26.2 34 35 A I E + 0 0 0 24,-2.9 8,-2.5 1,-0.3 2,-0.3 0.788 55.3 0.4 -97.0 -54.4 71.3 6.1 28.4 35 36 A S E -Dc 41 59A 0 23,-0.9 25,-2.7 6,-0.2 2,-0.3 -0.828 40.7-158.9-145.1 166.0 72.2 3.7 31.1 36 37 A E E >> S-Dc 40 60A 39 4,-1.9 4,-1.8 -2,-0.3 3,-0.8 -0.988 71.5 -21.1-149.7 137.2 72.0 0.4 32.8 37 38 A S T 34 S- 0 0 32 23,-1.4 40,-0.1 -2,-0.3 39,-0.1 -0.196 105.2 -61.2 55.4-145.1 72.9 -0.4 36.5 38 39 A T T 34 S+ 0 0 46 38,-0.1 -1,-0.2 -3,-0.1 3,-0.0 0.307 132.5 39.6-112.8 7.3 75.3 2.2 37.9 39 40 A T T <4 S+ 0 0 115 -3,-0.8 2,-0.4 1,-0.1 -2,-0.2 0.501 88.3 87.4-134.6 -12.2 78.2 1.6 35.4 40 41 A Y E < -D 36 0A 83 -4,-1.8 -4,-1.9 2,-0.0 2,-0.4 -0.879 44.7-175.1-108.0 132.7 77.0 1.0 31.8 41 42 A L E -D 35 0A 76 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.993 33.1-116.6-123.4 131.5 76.3 3.7 29.2 42 43 A N > - 0 0 5 -8,-2.5 3,-1.3 -2,-0.4 -10,-0.0 -0.485 24.0-154.9 -58.5 112.1 74.9 3.2 25.7 43 44 A P T 3 S+ 0 0 72 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.692 88.9 61.9 -71.3 -16.1 77.9 4.3 23.5 44 45 A C T 3> S+ 0 0 2 1,-0.2 4,-3.1 2,-0.1 5,-0.3 0.505 74.0 102.9 -84.0 -3.1 75.5 5.1 20.6 45 46 A L H <> S+ 0 0 28 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 0.884 79.7 46.0 -49.1 -51.7 73.7 7.8 22.7 46 47 A S H > S+ 0 0 96 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.911 116.1 45.0 -62.5 -45.9 75.4 10.9 21.1 47 48 A A H > S+ 0 0 21 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.907 113.9 49.6 -63.3 -45.2 75.0 9.6 17.5 48 49 A Q H < S+ 0 0 0 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.855 111.4 49.1 -65.1 -36.3 71.4 8.6 18.1 49 50 A V H >< S+ 0 0 29 -4,-2.5 3,-1.4 -5,-0.3 -2,-0.2 0.939 110.0 51.5 -65.7 -46.0 70.6 12.0 19.7 50 51 A E H 3< S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.867 110.8 49.1 -62.0 -35.3 72.2 13.8 16.7 51 52 A Q T 3< S+ 0 0 43 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.496 117.5 29.0 -82.5 -4.9 70.1 11.8 14.2 52 53 A S S < S- 0 0 22 -3,-1.4 -23,-0.2 -4,-0.3 -24,-0.1 -0.691 77.6-101.2-141.4-171.0 66.7 12.3 15.9 53 54 A N E -c 29 0A 79 -25,-2.8 -23,-1.5 -2,-0.2 2,-0.1 -0.860 41.2-150.3-122.9 86.2 64.3 14.4 18.0 54 55 A P E +c 30 0A 11 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.398 23.4 178.2 -61.6 132.8 64.4 12.8 21.5 55 56 A I E S- 0 0 23 -25,-2.8 32,-1.2 1,-0.3 31,-0.4 0.398 72.4 -16.0-104.8 -10.5 61.2 13.1 23.6 56 57 A G E -ce 31 87A 0 -26,-1.2 -24,-1.5 30,-0.1 2,-0.3 -0.984 57.2-125.1-174.9 175.0 62.8 11.1 26.4 57 58 A F E -ce 32 88A 0 30,-1.2 32,-3.0 -2,-0.3 2,-0.3 -0.939 22.2-145.3-131.4 156.2 65.6 8.8 27.6 58 59 A Y E -ce 33 89A 16 -26,-2.1 -24,-2.9 -2,-0.3 -23,-0.9 -0.922 5.9-152.5-130.5 157.5 65.5 5.4 29.4 59 60 A H E -ce 35 90A 0 30,-2.3 32,-2.8 -2,-0.3 2,-0.8 -0.989 19.1-135.0-123.3 127.3 67.4 3.4 32.0 60 61 A F E -ce 36 91A 25 -25,-2.7 -23,-1.4 -2,-0.4 32,-0.2 -0.743 31.9-135.5 -86.2 107.2 67.5 -0.4 32.1 61 62 A A + 0 0 0 30,-3.0 32,-0.3 -2,-0.8 33,-0.2 -0.384 37.6 163.3 -69.9 136.6 66.9 -1.2 35.8 62 63 A R + 0 0 79 -2,-0.1 -1,-0.1 7,-0.1 -24,-0.1 0.244 52.0 97.7-128.0 11.3 69.0 -3.8 37.6 63 64 A F > - 0 0 9 1,-0.2 3,-2.3 -26,-0.1 2,-0.3 0.596 57.5-172.3 -84.9 -11.2 68.2 -2.8 41.2 64 65 A G T 3 S- 0 0 7 30,-0.3 -1,-0.2 1,-0.3 43,-0.1 -0.401 70.5 -22.5 62.2-116.5 65.5 -5.5 41.8 65 66 A G T 3 S+ 0 0 21 -2,-0.3 2,-0.8 41,-0.1 -1,-0.3 0.154 104.2 116.6-112.0 19.2 63.9 -4.7 45.2 66 67 A D <> - 0 0 79 -3,-2.3 4,-2.4 1,-0.2 5,-0.1 -0.790 43.4-169.2 -96.2 104.3 66.8 -2.7 46.7 67 68 A V H > S+ 0 0 55 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.879 88.0 51.1 -61.7 -39.8 65.7 0.9 47.4 68 69 A A H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.886 111.2 48.3 -67.3 -34.9 69.2 2.1 48.1 69 70 A E H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.907 107.7 56.8 -68.5 -37.1 70.5 0.6 44.8 70 71 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.880 105.1 51.4 -60.8 -38.2 67.5 2.2 43.0 71 72 A E H X S+ 0 0 75 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.897 110.2 48.4 -66.9 -42.1 68.7 5.6 44.2 72 73 A R H X S+ 0 0 130 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.892 111.4 48.9 -64.0 -46.4 72.2 5.0 43.0 73 74 A E H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.915 110.9 51.9 -57.1 -46.5 71.0 3.9 39.5 74 75 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.893 109.6 48.5 -59.9 -39.4 68.6 6.9 39.3 75 76 A Q H X S+ 0 0 84 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.911 110.4 50.2 -70.7 -37.9 71.5 9.3 40.0 76 77 A F H X S+ 0 0 39 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.930 113.2 47.9 -61.4 -47.2 73.8 7.7 37.5 77 78 A F H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.4 0.978 113.7 46.2 -53.8 -59.1 71.0 8.0 34.9 78 79 A L H >< S+ 0 0 23 -4,-2.9 3,-1.3 1,-0.3 -2,-0.2 0.877 106.7 58.6 -55.0 -39.5 70.3 11.6 35.8 79 80 A D H 3< S+ 0 0 111 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.653 109.5 45.4 -67.8 -15.4 74.0 12.5 35.7 80 81 A N T << S+ 0 0 52 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.273 73.3 124.0-114.8 9.4 74.1 11.3 32.1 81 82 A V < - 0 0 24 -3,-1.3 3,-0.1 -4,-0.4 7,-0.0 -0.613 44.4-163.5 -65.9 121.1 71.0 12.9 30.6 82 83 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.576 61.3 12.5 -90.6 -11.6 72.6 14.9 27.7 83 84 A M S S- 0 0 73 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.989 87.7 -82.8-160.8 159.4 69.7 17.4 26.9 84 85 A Q + 0 0 180 -2,-0.3 2,-0.3 -3,-0.1 -28,-0.0 -0.526 52.9 158.6 -72.3 129.0 66.4 18.6 28.3 85 86 A V - 0 0 15 -2,-0.2 -29,-0.1 1,-0.1 -30,-0.1 -0.928 45.8-123.1-140.6 161.4 63.5 16.3 27.5 86 87 A K S S+ 0 0 84 -31,-0.4 34,-2.9 -2,-0.3 2,-0.4 0.841 88.4 51.0 -73.5 -36.2 60.1 16.1 29.2 87 88 A Y E -ef 56 120A 5 -32,-1.2 -30,-1.2 32,-0.2 2,-0.4 -0.872 50.3-174.5-117.3 138.1 60.3 12.3 30.1 88 89 A L E -ef 57 121A 1 32,-2.0 34,-1.7 -2,-0.4 2,-0.4 -1.000 25.0-145.1-126.2 131.7 62.8 9.9 31.8 89 90 A V E -ef 58 122A 0 -32,-3.0 -30,-2.3 -2,-0.4 2,-0.7 -0.820 12.2-151.2-109.6 133.8 61.9 6.2 31.7 90 91 A L E -ef 59 123A 2 32,-3.2 34,-3.1 -2,-0.4 2,-0.9 -0.898 15.3-158.5 -96.0 108.6 62.4 3.5 34.2 91 92 A D E +ef 60 124A 8 -32,-2.8 -30,-3.0 -2,-0.7 2,-0.6 -0.850 17.8 174.1 -93.4 101.5 62.7 0.2 32.1 92 93 A Y + 0 0 0 32,-2.4 34,-0.3 -2,-0.9 3,-0.1 -0.892 29.6 119.5-117.4 94.5 61.9 -2.5 34.7 93 94 A Q + 0 0 58 -2,-0.6 2,-0.3 -32,-0.3 -1,-0.1 0.274 64.2 41.2-144.1 10.2 61.6 -5.9 33.0 94 95 A D S S+ 0 0 72 -33,-0.2 -30,-0.3 -3,-0.1 -1,-0.2 -0.980 91.8 30.2-157.6 164.6 64.3 -8.1 34.6 95 96 A D + 0 0 77 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 0.841 66.6 175.5 51.7 46.1 65.9 -9.1 37.8 96 97 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.466 29.3-120.3 -73.0 149.1 63.0 -8.6 40.2 97 98 A S - 0 0 37 2,-0.3 6,-0.1 36,-0.2 -33,-0.1 -0.422 26.4-109.8 -75.0 167.4 63.3 -9.6 43.8 98 99 A G S S+ 0 0 95 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.562 102.7 80.1 -74.4 -8.4 60.9 -12.2 45.2 99 100 A D > - 0 0 91 1,-0.1 4,-2.2 2,-0.0 -2,-0.3 -0.885 63.6-165.8-104.4 103.9 59.2 -9.4 47.3 100 101 A A H > S+ 0 0 39 -2,-0.7 4,-2.2 1,-0.2 35,-0.4 0.794 88.5 53.7 -61.7 -31.1 56.8 -7.5 45.1 101 102 A Q H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 107.6 49.5 -71.2 -40.2 56.4 -4.7 47.7 102 103 A A H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 111.6 49.8 -59.7 -42.4 60.2 -4.2 47.8 103 104 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.937 111.8 48.8 -63.9 -43.6 60.3 -4.1 44.0 104 105 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.905 110.6 49.9 -60.6 -45.1 57.4 -1.5 44.0 105 106 A N H X S+ 0 0 68 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.852 110.0 50.6 -63.4 -40.5 59.2 0.7 46.6 106 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 111.0 48.4 -62.8 -44.1 62.4 0.6 44.7 107 108 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.905 111.1 50.9 -63.6 -40.0 60.6 1.7 41.5 108 109 A L H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.865 109.3 50.4 -65.8 -36.1 58.8 4.5 43.4 109 110 A R H X S+ 0 0 71 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.906 111.9 48.1 -67.5 -43.0 62.1 5.8 44.8 110 111 A F H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.949 113.9 46.1 -60.4 -51.0 63.6 5.8 41.3 111 112 A M H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.882 109.6 54.7 -64.2 -36.5 60.6 7.6 39.8 112 113 A Q H X S+ 0 0 48 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.900 105.3 52.9 -64.0 -40.6 60.6 10.1 42.7 113 114 A M H X S+ 0 0 28 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.887 109.0 50.2 -61.4 -37.4 64.2 11.0 42.1 114 115 A I H <>S+ 0 0 1 -4,-1.7 5,-1.8 2,-0.2 3,-0.2 0.934 112.3 46.7 -64.5 -48.4 63.3 11.7 38.4 115 116 A A H ><5S+ 0 0 32 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.906 109.5 53.6 -60.3 -44.0 60.4 13.9 39.4 116 117 A D H 3<5S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.6 58.1 -61.2 -30.0 62.5 15.8 42.0 117 118 A A T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.461 126.7-100.1 -80.9 -2.7 65.0 16.5 39.2 118 119 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.632 84.8 109.3 96.7 16.0 62.3 18.2 37.2 119 120 A Y S - 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