==== 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 2J8F . 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) . 17072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 64.8 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 . 66 19.4 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 . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.9 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 2 7 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 0 1 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 32 0, 0.0 188,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 154.6 54.5 14.8 21.1 2 3 A K > - 0 0 85 186,-0.2 3,-2.3 1,-0.1 183,-0.3 -0.744 360.0 -62.0-120.6 164.7 50.8 14.3 20.5 3 4 A K T 3 S+ 0 0 53 1,-0.3 183,-0.2 -2,-0.2 -1,-0.1 -0.197 122.1 15.6 -44.6 136.0 48.5 11.2 20.4 4 5 A N T 3 S+ 0 0 16 181,-3.6 -1,-0.3 1,-0.3 182,-0.1 0.370 90.6 136.9 71.8 3.7 49.4 8.8 17.7 5 6 A D < - 0 0 44 -3,-2.3 180,-2.4 180,-0.1 2,-0.3 -0.386 47.0-132.6 -66.8 152.1 52.8 10.2 17.1 6 7 A L E +A 184 0A 51 178,-0.2 2,-0.3 -3,-0.1 23,-0.3 -0.804 26.3 172.6-107.3 155.9 55.6 7.7 16.7 7 8 A F E -A 183 0A 0 176,-1.8 176,-1.9 -2,-0.3 2,-0.3 -0.981 19.9-138.3-154.6 160.1 59.0 7.4 18.2 8 9 A V E -Ab 182 30A 0 21,-2.0 23,-1.9 -2,-0.3 2,-0.4 -0.860 11.2-145.9-114.9 150.7 61.9 4.9 18.3 9 10 A D E -Ab 181 31A 4 172,-1.1 172,-0.6 -2,-0.3 2,-0.3 -0.972 21.3-173.6-119.9 140.3 64.0 3.9 21.2 10 11 A V E + b 0 32A 0 21,-2.0 23,-2.8 -2,-0.4 2,-0.2 -0.922 16.1 169.9-133.9 156.0 67.6 3.0 20.9 11 12 A S > - 0 0 20 -2,-0.3 3,-2.2 21,-0.2 4,-0.3 -0.714 64.2 -67.3-141.9-171.4 70.7 1.6 22.7 12 13 A S G > S+ 0 0 51 1,-0.3 3,-1.6 -2,-0.2 4,-0.1 0.772 125.2 75.2 -58.4 -22.6 74.2 0.5 21.7 13 14 A H G 3 S+ 0 0 174 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.744 92.8 53.2 -57.7 -24.4 72.3 -2.4 20.0 14 15 A N G < S- 0 0 46 -3,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.480 104.3-143.8 -90.3 -7.2 71.4 0.1 17.3 15 16 A G < - 0 0 24 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.079 35.8 -55.0 76.6-173.2 75.0 1.2 16.7 16 17 A Y S S+ 0 0 140 1,-0.2 2,-0.5 31,-0.1 -1,-0.2 0.431 121.4 60.4 -87.2 -2.1 76.4 4.6 15.8 17 18 A D + 0 0 105 -3,-0.4 -1,-0.2 1,-0.1 4,-0.1 -0.927 46.9 152.8-132.3 108.3 74.2 5.2 12.8 18 19 A I > + 0 0 2 -2,-0.5 4,-2.0 29,-0.1 3,-0.3 0.247 44.9 104.7-113.8 9.7 70.5 5.3 13.3 19 20 A T H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 78.0 58.8 -59.2 -33.6 69.5 7.5 10.4 20 21 A G H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 106.9 43.7 -66.3 -42.6 68.2 4.4 8.6 21 22 A I H > S+ 0 0 25 -3,-0.3 4,-2.3 2,-0.2 6,-0.2 0.887 111.0 54.5 -74.6 -33.8 65.7 3.4 11.2 22 23 A L H X>S+ 0 0 9 -4,-2.0 4,-1.7 2,-0.2 5,-1.2 0.915 110.0 48.0 -60.7 -42.2 64.5 7.0 11.6 23 24 A E H <5S+ 0 0 152 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.916 112.3 49.1 -65.1 -41.4 63.8 7.1 7.8 24 25 A Q H <5S+ 0 0 134 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.1 44.3 -63.3 -40.7 61.9 3.8 7.9 25 26 A M H <5S- 0 0 21 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.769 106.0-129.5 -77.9 -24.5 59.8 4.9 10.8 26 27 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.608 75.1 84.2 82.6 16.9 59.2 8.3 9.3 27 28 A T < - 0 0 25 -5,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.985 61.4-152.5-143.8 155.9 60.2 10.2 12.5 28 29 A T + 0 0 76 -2,-0.3 25,-2.9 -3,-0.1 2,-0.2 0.402 60.3 123.0-103.4 0.3 63.3 11.6 14.2 29 30 A N E + c 0 53A 25 -23,-0.3 -21,-2.0 23,-0.2 2,-0.3 -0.429 40.2 171.4 -60.6 128.1 61.7 11.3 17.7 30 31 A T E -bc 8 54A 0 23,-1.3 25,-3.3 -23,-0.2 26,-1.1 -0.969 38.0-154.2-138.6 155.8 63.8 9.1 19.9 31 32 A I E -bc 9 56A 0 -23,-1.9 -21,-2.0 -2,-0.3 2,-0.4 -0.996 31.9-159.5-124.3 121.1 64.3 7.9 23.5 32 33 A I E -bc 10 57A 0 24,-1.6 26,-1.9 -2,-0.4 2,-0.2 -0.878 17.2-118.3-110.9 136.3 67.9 7.0 23.9 33 34 A K E + c 0 58A 19 -23,-2.8 26,-0.2 -2,-0.4 3,-0.1 -0.471 33.1 169.9 -67.6 132.0 69.6 4.7 26.5 34 35 A I E - 0 0 0 24,-2.8 8,-2.5 1,-0.3 2,-0.3 0.779 54.8 -2.1 -99.7 -57.3 72.1 6.5 28.7 35 36 A S E -Dc 41 59A 0 23,-0.9 25,-2.6 6,-0.2 -1,-0.3 -0.822 42.0-156.2-141.8 169.2 73.0 4.2 31.5 36 37 A E E >> S-Dc 40 60A 38 4,-1.7 4,-2.0 -2,-0.3 3,-0.9 -0.972 70.9 -21.9-150.6 138.7 72.7 0.9 33.3 37 38 A S T 34 S- 0 0 32 23,-1.6 40,-0.1 -2,-0.3 39,-0.1 -0.346 105.7 -62.0 54.9-138.5 73.5 0.1 36.9 38 39 A T T 34 S+ 0 0 47 38,-0.1 -1,-0.2 -3,-0.1 3,-0.0 0.312 132.3 43.2-119.9 10.1 75.9 2.7 38.3 39 40 A T T <4 S+ 0 0 118 -3,-0.9 2,-0.4 1,-0.0 -2,-0.2 0.472 88.0 88.5-134.5 -13.2 78.9 2.0 36.0 40 41 A Y E < -D 36 0A 80 -4,-2.0 -4,-1.7 2,-0.0 2,-0.4 -0.867 43.3-176.9-107.1 131.2 77.7 1.5 32.3 41 42 A L E -D 35 0A 76 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.985 32.7-118.8-121.5 134.9 77.2 4.2 29.7 42 43 A N > - 0 0 5 -8,-2.5 3,-1.6 -2,-0.4 4,-0.2 -0.570 22.6-155.1 -65.7 112.0 75.8 3.6 26.1 43 44 A P T 3 S+ 0 0 73 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.701 87.9 62.8 -70.8 -13.7 78.8 4.7 24.0 44 45 A C T 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.451 74.0 102.0 -86.7 -2.1 76.5 5.6 21.1 45 46 A L H <> S+ 0 0 26 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.900 78.6 46.5 -52.4 -53.2 74.6 8.2 23.0 46 47 A S H > S+ 0 0 96 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.918 116.8 44.8 -61.2 -40.9 76.3 11.3 21.5 47 48 A A H > S+ 0 0 22 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.922 113.0 50.6 -65.9 -45.3 75.9 10.0 17.9 48 49 A Q H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.895 111.6 48.7 -63.9 -39.4 72.3 8.9 18.5 49 50 A V H >< S+ 0 0 30 -4,-2.6 3,-1.4 -5,-0.3 -1,-0.2 0.923 109.8 51.8 -61.8 -46.6 71.5 12.4 19.9 50 51 A E H 3< S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.866 111.3 47.2 -65.8 -32.9 73.1 14.2 17.0 51 52 A Q T 3< S+ 0 0 49 -4,-2.0 -1,-0.3 -5,-0.1 2,-0.2 0.457 118.0 33.2 -85.3 -2.9 71.2 12.1 14.4 52 53 A S S < S- 0 0 21 -3,-1.4 -23,-0.2 -4,-0.4 -24,-0.1 -0.713 78.0-103.9-140.6-173.1 67.8 12.6 16.1 53 54 A N E -c 29 0A 81 -25,-2.9 -23,-1.3 -2,-0.2 -3,-0.1 -0.796 41.5-150.9-119.8 84.0 65.3 14.6 18.1 54 55 A P E -c 30 0A 12 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.321 21.5-179.1 -60.7 130.5 65.4 13.1 21.6 55 56 A I E S- 0 0 19 -25,-3.3 32,-1.3 1,-0.3 31,-0.5 0.492 71.8 -21.2-100.2 -12.0 62.1 13.4 23.6 56 57 A G E -ce 31 87A 0 -26,-1.1 -24,-1.6 30,-0.2 -1,-0.3 -0.978 58.4-122.5-174.5 175.0 63.7 11.6 26.5 57 58 A F E -ce 32 88A 0 30,-1.3 32,-2.7 -2,-0.3 2,-0.3 -0.903 22.5-145.6-127.2 161.3 66.4 9.2 27.8 58 59 A Y E -ce 33 89A 17 -26,-1.9 -24,-2.8 -2,-0.3 -23,-0.9 -0.932 4.9-151.5-131.6 159.8 66.2 5.9 29.6 59 60 A H E -ce 35 90A 0 30,-2.3 32,-2.7 -2,-0.3 2,-0.8 -0.984 19.2-132.7-126.5 132.4 68.1 4.0 32.3 60 61 A F E -ce 36 91A 26 -25,-2.6 -23,-1.6 -2,-0.4 2,-0.2 -0.795 31.4-137.9 -90.8 111.1 68.2 0.2 32.6 61 62 A A + 0 0 0 30,-2.6 32,-0.3 -2,-0.8 33,-0.2 -0.426 36.2 164.8 -75.9 138.7 67.6 -0.5 36.2 62 63 A R + 0 0 86 -2,-0.2 -1,-0.1 7,-0.1 -24,-0.1 0.186 53.2 98.6-130.4 13.3 69.5 -3.2 38.1 63 64 A F > - 0 0 8 1,-0.2 3,-2.5 -26,-0.1 2,-0.2 0.541 56.0-174.5 -84.5 -8.3 68.5 -2.1 41.7 64 65 A G T 3 S- 0 0 7 30,-0.3 -1,-0.2 1,-0.3 43,-0.2 -0.303 70.9 -22.2 52.6-110.3 65.7 -4.7 42.2 65 66 A G T 3 S+ 0 0 19 -2,-0.2 2,-0.7 41,-0.1 -1,-0.3 0.159 104.8 115.1-115.7 19.1 64.1 -3.8 45.5 66 67 A D <> - 0 0 81 -3,-2.5 4,-2.1 1,-0.2 5,-0.1 -0.813 45.2-167.3 -99.6 109.4 67.0 -1.8 47.1 67 68 A V H > S+ 0 0 54 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.877 87.5 51.3 -64.5 -40.6 66.0 1.8 47.6 68 69 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 110.2 49.2 -65.6 -42.8 69.5 3.0 48.3 69 70 A E H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 107.2 56.0 -59.7 -40.9 70.8 1.4 45.2 70 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.834 105.3 52.7 -63.7 -35.3 68.0 3.0 43.2 71 72 A E H X S+ 0 0 71 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.901 109.5 47.2 -65.4 -42.1 69.1 6.4 44.5 72 73 A R H X S+ 0 0 133 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.921 113.5 49.1 -68.6 -38.6 72.7 5.8 43.3 73 74 A E H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.940 110.2 51.3 -61.5 -46.7 71.4 4.5 39.9 74 75 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 110.9 47.8 -58.1 -42.0 69.1 7.6 39.6 75 76 A Q H X S+ 0 0 87 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.874 110.6 50.7 -72.0 -37.5 72.0 10.0 40.3 76 77 A F H X S+ 0 0 41 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.937 112.8 47.4 -61.2 -43.0 74.4 8.3 37.8 77 78 A F H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.2 0.969 114.3 46.6 -60.4 -53.6 71.6 8.5 35.2 78 79 A L H >< S+ 0 0 25 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.850 105.7 59.4 -59.0 -39.2 71.0 12.2 36.0 79 80 A D H 3< S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.659 109.4 45.3 -64.6 -16.7 74.7 13.0 36.0 80 81 A N T << S+ 0 0 51 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.227 73.0 125.0-116.5 8.9 74.9 11.8 32.3 81 82 A V < - 0 0 24 -3,-1.3 3,-0.1 -4,-0.2 7,-0.0 -0.645 44.3-162.1 -66.2 120.8 71.9 13.5 30.8 82 83 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.649 62.8 10.0 -87.5 -18.1 73.4 15.4 27.8 83 84 A M S S- 0 0 76 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.990 85.9 -85.0-157.7 158.2 70.6 17.8 27.1 84 85 A Q + 0 0 170 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.462 52.7 160.0 -67.8 129.1 67.3 19.1 28.4 85 86 A V - 0 0 15 -2,-0.2 -29,-0.1 1,-0.1 -30,-0.1 -0.914 46.2-118.1-141.6 165.3 64.4 16.8 27.4 86 87 A K S S+ 0 0 92 -31,-0.5 34,-2.9 -2,-0.3 2,-0.4 0.874 89.3 47.2 -76.9 -36.3 60.9 16.5 29.0 87 88 A Y E -ef 56 120A 4 -32,-1.3 -30,-1.3 32,-0.2 2,-0.4 -0.879 50.3-172.4-119.1 142.2 61.1 12.9 30.0 88 89 A L E -ef 57 121A 1 32,-2.0 34,-1.6 -2,-0.4 2,-0.4 -0.998 25.1-145.6-127.1 132.0 63.5 10.5 31.8 89 90 A V E -ef 58 122A 0 -32,-2.7 -30,-2.3 -2,-0.4 2,-0.7 -0.829 12.9-150.7-113.9 133.0 62.6 6.8 31.8 90 91 A L E -ef 59 123A 2 32,-3.4 34,-3.2 -2,-0.4 2,-0.9 -0.884 14.9-158.9 -93.6 110.0 63.1 4.1 34.3 91 92 A D E +ef 60 124A 9 -32,-2.7 -30,-2.6 -2,-0.7 2,-0.6 -0.844 18.5 174.0 -95.3 101.0 63.4 0.8 32.4 92 93 A Y + 0 0 0 32,-2.8 34,-0.2 -2,-0.9 -30,-0.1 -0.886 29.5 117.8-118.1 94.1 62.5 -1.8 35.0 93 94 A Q + 0 0 55 -2,-0.6 2,-0.3 -32,-0.3 -1,-0.1 0.203 63.0 48.9-143.8 12.7 62.2 -5.3 33.5 94 95 A D S S+ 0 0 69 -33,-0.2 -30,-0.3 -3,-0.1 -1,-0.1 -0.977 91.5 24.0-155.4 161.3 64.9 -7.4 35.1 95 96 A D + 0 0 80 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.837 67.7 178.2 50.2 50.3 66.4 -8.5 38.4 96 97 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.523 28.6-119.8 -75.1 147.0 63.3 -7.8 40.6 97 98 A S - 0 0 38 2,-0.2 6,-0.1 36,-0.1 -33,-0.1 -0.343 27.8-109.0 -70.9 169.2 63.5 -8.6 44.3 98 99 A G S S+ 0 0 93 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 0.463 102.4 78.5 -80.0 0.8 61.0 -11.2 45.7 99 100 A D > - 0 0 93 1,-0.2 4,-2.2 34,-0.0 -2,-0.2 -0.925 63.6-164.9-118.0 110.4 59.2 -8.5 47.5 100 101 A A H > S+ 0 0 39 -2,-0.6 4,-2.2 1,-0.2 35,-0.3 0.833 88.9 53.6 -68.9 -32.7 56.9 -6.4 45.3 101 102 A Q H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.899 108.5 50.2 -69.3 -39.1 56.4 -3.6 47.7 102 103 A A H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.944 110.2 50.5 -59.6 -49.2 60.2 -3.2 48.1 103 104 A N H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 111.3 49.1 -52.1 -46.4 60.5 -3.1 44.3 104 105 A T H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.914 109.3 50.9 -62.5 -43.0 57.7 -0.4 44.2 105 106 A N H X S+ 0 0 72 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.909 111.6 48.0 -63.7 -37.7 59.4 1.7 46.8 106 107 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 113.5 47.1 -67.9 -47.8 62.7 1.5 44.9 107 108 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.910 112.0 51.2 -58.1 -43.0 61.0 2.5 41.6 108 109 A L H X S+ 0 0 14 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.897 109.9 49.5 -63.5 -36.8 59.1 5.3 43.4 109 110 A R H X S+ 0 0 81 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 110.7 49.4 -68.7 -43.6 62.4 6.6 44.8 110 111 A F H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.959 113.7 46.5 -57.4 -52.7 64.1 6.5 41.4 111 112 A M H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.855 109.2 54.5 -60.3 -36.6 61.1 8.4 39.8 112 113 A Q H X S+ 0 0 58 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.896 106.0 51.8 -68.7 -36.6 61.0 11.0 42.6 113 114 A M H X S+ 0 0 21 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.910 110.2 49.7 -66.4 -37.9 64.7 11.8 42.1 114 115 A I H <>S+ 0 0 1 -4,-1.9 5,-1.8 2,-0.2 3,-0.4 0.912 111.7 48.1 -59.3 -47.2 63.9 12.3 38.5 115 116 A A H ><5S+ 0 0 32 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.920 108.0 54.9 -60.2 -48.0 61.0 14.6 39.3 116 117 A D H 3<5S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 102.5 57.5 -53.8 -31.6 63.0 16.6 41.8 117 118 A A T 3<5S- 0 0 52 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.367 126.6 -98.3 -86.4 0.9 65.6 17.3 39.1 118 119 A G T < 5S+ 0 0 61 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.660 85.0 112.9 96.6 20.4 63.0 18.9 36.9 119 120 A Y < - 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