==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/STRUCTURAL PROTEIN 23-NOV-04 1WTH . COMPND 2 MOLECULE: TAIL-ASSOCIATED LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.KANAMARU,Y.ISHIWATA,T.SUZUKI,M.G.ROSSMANN,F.ARISAKA . 932 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 3 0.3 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 . 103 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 4 3 0 2 2 1 1 2 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 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 0 PARALLEL BRIDGES PER LADDER . 7 6 3 5 8 2 1 2 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 3 2 1 1 0 0 0 0 1 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 6 A N 0 0 180 0, 0.0 2,-0.9 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 92.9 -0.7 8.1 51.1 2 7 A N - 0 0 71 80,-0.6 2,-0.5 2,-0.1 84,-0.1 -0.697 360.0-179.7-105.1 75.1 2.8 6.7 50.8 3 8 A L + 0 0 96 -2,-0.9 2,-0.3 79,-0.1 79,-0.2 -0.699 8.3 159.5 -84.3 121.0 2.5 4.1 53.6 4 9 A N E -A 81 0A 77 77,-1.5 77,-3.2 -2,-0.5 2,-0.2 -0.999 27.3-140.1-142.3 138.0 5.7 2.0 54.3 5 10 A W E +A 80 0A 173 -2,-0.3 2,-0.3 75,-0.2 75,-0.2 -0.515 22.2 173.7 -93.7 165.8 6.8 0.0 57.2 6 11 A F E -A 79 0A 8 73,-1.7 73,-2.3 -2,-0.2 2,-0.3 -0.967 22.2-143.1-161.9 158.0 10.3 -0.2 58.6 7 12 A V E +A 78 0A 31 20,-0.3 20,-1.5 -2,-0.3 2,-0.3 -0.847 34.1 146.6-118.4 152.5 12.2 -1.7 61.5 8 13 A G E -AB 77 26A 0 69,-1.3 69,-2.0 -2,-0.3 2,-0.4 -0.967 41.3 -95.6-171.2-177.5 15.2 0.1 63.1 9 14 A V E -AB 76 25A 10 16,-2.8 16,-2.6 -2,-0.3 2,-0.4 -0.962 27.5-126.9-125.0 136.8 17.1 0.8 66.3 10 15 A V E + B 0 24A 0 65,-2.2 64,-3.7 -2,-0.4 65,-0.3 -0.653 31.6 166.6 -78.7 129.8 16.8 3.7 68.7 11 16 A E E + 0 0 6 12,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.501 66.1 35.7-119.0 -11.8 20.2 5.3 69.3 12 17 A D E + B 0 23A 31 11,-1.1 11,-2.4 60,-0.1 -1,-0.3 -0.961 43.2 165.7-149.3 125.4 19.0 8.6 70.9 13 18 A R + 0 0 67 -2,-0.3 2,-1.2 9,-0.2 7,-0.1 0.148 49.3 111.2-119.3 13.5 16.1 9.3 73.3 14 19 A M - 0 0 132 6,-0.1 8,-0.1 4,-0.0 -1,-0.1 -0.262 48.0-178.8 -88.6 52.8 17.2 12.7 74.4 15 20 A D > - 0 0 10 -2,-1.2 3,-1.3 6,-0.5 5,-0.2 -0.285 19.4-156.4 -53.7 116.3 14.4 14.6 72.7 16 21 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.803 95.6 53.4 -68.4 -25.9 14.9 18.3 73.3 17 22 A L T 3 S- 0 0 65 1,-0.0 -2,-0.1 2,-0.0 -3,-0.0 0.468 105.8-134.0 -85.1 -1.5 11.2 19.0 72.7 18 23 A K < + 0 0 179 -3,-1.3 50,-0.1 1,-0.1 -4,-0.0 0.854 65.0 130.4 48.4 46.3 10.5 16.4 75.3 19 24 A L S S- 0 0 74 49,-0.0 33,-0.5 2,-0.0 -1,-0.1 -0.062 85.1-100.1-113.6 24.9 7.8 14.7 73.1 20 25 A G + 0 0 9 -5,-0.2 30,-0.1 1,-0.2 -6,-0.1 0.680 69.8 160.9 64.2 17.5 9.2 11.2 73.5 21 26 A R - 0 0 22 30,-0.1 -6,-0.5 28,-0.1 2,-0.3 -0.265 21.2-160.4 -68.5 159.8 10.8 11.4 70.1 22 27 A V E - C 0 50A 4 28,-2.0 28,-2.1 -8,-0.1 2,-0.5 -0.996 19.0-128.1-145.9 136.7 13.7 9.1 69.2 23 28 A R E -BC 12 49A 44 -11,-2.4 -12,-2.3 -2,-0.3 -11,-1.1 -0.723 36.2-163.5 -82.6 129.6 16.4 9.1 66.6 24 29 A V E -B 10 0A 1 24,-1.0 2,-0.6 -2,-0.5 -14,-0.2 -0.947 23.7-148.9-125.4 127.6 16.3 5.8 64.7 25 30 A R E -B 9 0A 0 -16,-2.6 -16,-2.8 -2,-0.5 2,-0.5 -0.882 30.7-143.0 -85.2 116.9 18.7 4.0 62.4 26 31 A V E >> -B 8 0A 2 -2,-0.6 4,-2.2 -18,-0.3 3,-0.9 -0.822 8.3-124.5 -90.9 125.1 16.5 2.2 60.0 27 32 A V T 34 S+ 0 0 87 -20,-1.5 -20,-0.3 -2,-0.5 2,-0.2 -0.391 96.0 20.8 -60.6 137.5 17.4 -1.3 58.7 28 33 A G T 34 S+ 0 0 81 2,-0.4 -1,-0.2 1,-0.1 -20,-0.1 -0.163 128.6 40.5 95.7 -42.8 17.6 -1.2 55.0 29 34 A L T <4 S+ 0 0 31 -3,-0.9 -2,-0.2 -2,-0.2 -1,-0.1 0.610 103.3 64.5-117.7 -10.7 18.0 2.5 54.2 30 35 A H S < S- 0 0 14 -4,-2.2 -2,-0.4 10,-0.0 -1,-0.1 -0.934 81.8-128.2-110.0 132.6 20.5 3.6 56.9 31 36 A P - 0 0 11 0, 0.0 11,-0.3 0, 0.0 78,-0.1 -0.480 15.3-122.3 -79.6 151.8 24.0 2.1 56.7 32 37 A P S S+ 0 0 56 0, 0.0 76,-3.9 0, 0.0 2,-0.3 0.621 82.5 105.3 -67.4 -12.0 25.6 0.6 59.8 33 38 A Q - 0 0 65 74,-0.2 9,-2.8 1,-0.1 74,-0.1 -0.559 50.0-170.5 -74.8 128.4 28.6 3.0 59.6 34 39 A R + 0 0 35 72,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.726 67.3 81.7 -88.7 -25.2 28.6 5.8 62.1 35 40 A A S S- 0 0 79 7,-0.1 2,-0.4 8,-0.1 7,-0.1 -0.713 89.3-118.1 -85.2 124.3 31.4 7.7 60.5 36 41 A Q - 0 0 95 -2,-0.5 5,-0.2 5,-0.1 6,-0.1 -0.455 40.5-179.0 -65.4 117.3 30.3 9.8 57.5 37 42 A G - 0 0 30 3,-0.9 4,-0.1 -2,-0.4 -1,-0.1 -0.107 44.5 -85.3 -99.5-160.5 32.0 8.6 54.4 38 43 A D S S+ 0 0 95 2,-0.1 663,-0.1 -2,-0.1 3,-0.1 0.907 122.2 5.5 -75.1 -42.7 31.8 9.7 50.8 39 44 A V S S+ 0 0 41 1,-0.3 645,-2.8 645,-0.1 2,-0.3 0.792 134.4 20.9-106.9 -49.7 28.7 7.7 49.9 40 45 A M B S+f 684 0B 77 643,-0.2 -3,-0.9 -5,-0.1 -1,-0.3 -0.933 70.7 98.9-128.7 152.0 27.5 6.1 53.2 41 46 A G - 0 0 0 643,-2.5 -7,-0.2 -2,-0.3 -5,-0.1 -0.096 31.9-171.1 139.2 119.5 28.0 6.8 56.9 42 47 A I - 0 0 0 -9,-2.8 2,-0.2 -11,-0.3 -7,-0.1 -0.982 14.1-143.9-139.3 126.8 25.8 8.5 59.4 43 48 A P >> - 0 0 30 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.520 32.0-110.8 -82.3 156.4 26.5 9.5 63.0 44 49 A T G >4 S+ 0 0 10 1,-0.3 3,-2.9 2,-0.2 -33,-0.1 0.950 115.2 62.7 -49.3 -57.7 23.7 9.2 65.5 45 50 A E G 34 S+ 0 0 124 1,-0.3 -1,-0.3 -34,-0.1 -33,-0.0 0.693 104.6 50.5 -41.5 -25.9 23.4 13.0 65.9 46 51 A K G <4 S+ 0 0 86 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.614 80.8 104.1 -93.3 -16.0 22.4 13.2 62.3 47 52 A L S << S- 0 0 0 -3,-2.9 -22,-0.1 -4,-0.7 -36,-0.0 -0.530 80.0-115.0 -65.3 129.4 19.7 10.5 62.3 48 53 A P - 0 0 31 0, 0.0 -24,-1.0 0, 0.0 2,-0.2 -0.307 28.2-102.8 -69.4 149.9 16.4 12.5 62.2 49 54 A W E -C 23 0A 36 -26,-0.2 2,-0.3 790,-0.1 -26,-0.2 -0.532 33.3-158.7 -74.8 137.9 13.9 12.4 65.1 50 55 A M E -C 22 0A 11 -28,-2.1 -28,-2.0 -2,-0.2 2,-0.3 -0.869 13.1-127.3-114.3 149.3 10.8 10.2 64.7 51 56 A S E -d 90 0A 14 38,-1.1 40,-2.9 -2,-0.3 2,-0.3 -0.678 18.1-140.0 -95.8 151.2 7.6 10.6 66.7 52 57 A V E -d 91 0A 41 -33,-0.5 2,-0.4 -2,-0.3 40,-0.2 -0.778 3.5-140.8-108.1 149.6 5.9 7.9 68.6 53 58 A I - 0 0 87 38,-1.9 3,-0.1 -2,-0.3 37,-0.0 -0.915 21.6-139.9-106.3 133.3 2.2 7.1 69.0 54 59 A Q - 0 0 50 -2,-0.4 14,-0.1 1,-0.2 4,-0.0 -0.602 31.6 -83.1 -91.0 160.6 1.0 6.0 72.4 55 60 A P > - 0 0 90 0, 0.0 3,-2.3 0, 0.0 11,-0.2 -0.228 46.7-107.5 -57.0 151.8 -1.5 3.2 73.2 56 61 A I T 3 S+ 0 0 162 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.593 113.9 74.7 -61.6 -7.6 -5.1 4.5 72.9 57 62 A T T 3 S+ 0 0 125 2,-0.0 2,-0.6 8,-0.0 -1,-0.3 0.549 83.4 80.6 -80.5 -5.6 -5.5 4.4 76.7 58 63 A S < - 0 0 15 -3,-2.3 7,-0.2 1,-0.1 -4,-0.1 -0.898 66.1-160.2-103.8 124.3 -3.4 7.5 76.8 59 64 A A - 0 0 64 -2,-0.6 6,-0.2 2,-0.1 -1,-0.1 0.725 17.1-151.6 -75.2 -21.7 -5.2 10.7 76.1 60 65 A A + 0 0 66 4,-0.6 2,-0.4 1,-0.2 5,-0.2 0.941 50.8 130.2 47.7 55.1 -2.0 12.6 75.2 61 66 A M B > S-G 64 0C 119 3,-2.1 3,-4.3 1,-0.0 -1,-0.2 -0.960 76.1 -33.6-146.3 123.1 -3.7 15.8 76.3 62 67 A S T 3 S- 0 0 117 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.779 127.0 -41.8 38.6 43.3 -2.5 18.5 78.7 63 68 A G T 3 S+ 0 0 82 1,-0.3 2,-0.6 3,-0.1 -1,-0.3 0.245 108.1 128.1 92.8 -14.7 -0.7 16.0 80.8 64 69 A I B < +G 61 0C 106 -3,-4.3 -3,-2.1 -5,-0.1 -4,-0.6 -0.671 52.7 57.2 -76.2 117.7 -3.4 13.4 80.7 65 70 A G S S- 0 0 45 -2,-0.6 2,-0.1 -6,-0.2 -7,-0.1 -0.943 82.2 -67.1 154.1-176.8 -1.7 10.2 79.5 66 71 A G S S- 0 0 46 -2,-0.3 -6,-0.1 1,-0.2 -3,-0.1 -0.374 72.0 -55.7 -98.0-178.4 0.9 7.7 80.1 67 72 A S - 0 0 88 1,-0.1 -1,-0.2 -2,-0.1 -9,-0.0 -0.273 38.4-155.0 -57.4 139.7 4.7 8.0 80.0 68 73 A V S S+ 0 0 59 -3,-0.1 2,-0.3 -50,-0.1 -1,-0.1 0.299 75.7 62.4-100.8 8.6 5.9 9.3 76.6 69 74 A T + 0 0 100 1,-0.1 3,-0.1 -51,-0.0 -2,-0.1 -0.827 46.0 118.9-126.4 165.7 9.3 7.7 77.1 70 75 A G + 0 0 58 1,-0.6 -1,-0.1 -2,-0.3 321,-0.1 -0.006 44.4 97.4 170.8 -52.7 10.4 4.0 77.4 71 76 A P - 0 0 32 0, 0.0 -1,-0.6 0, 0.0 2,-0.2 -0.351 54.7-156.9 -63.5 143.1 12.7 2.8 74.7 72 77 A V > - 0 0 27 1,-0.1 3,-2.0 -3,-0.1 -62,-0.2 -0.551 40.9 -63.6-109.2 178.2 16.4 2.9 75.7 73 78 A E T 3 S+ 0 0 22 1,-0.3 38,-0.3 -2,-0.2 -62,-0.2 -0.445 126.9 25.1 -64.6 135.8 19.4 3.0 73.3 74 79 A G T 3 S+ 0 0 20 -64,-3.7 -1,-0.3 36,-0.3 2,-0.1 0.304 84.0 148.6 94.2 -10.2 19.5 -0.2 71.3 75 80 A T < - 0 0 29 -3,-2.0 -65,-2.2 -65,-0.3 -1,-0.3 -0.396 47.7-125.7 -63.1 130.1 15.7 -0.8 71.5 76 81 A R E -A 9 0A 70 19,-0.4 19,-0.7 -67,-0.2 2,-0.3 -0.433 34.4-163.7 -72.3 152.7 14.4 -2.5 68.4 77 82 A V E -AE 8 94A 2 -69,-2.0 -69,-1.3 17,-0.2 2,-0.4 -0.990 22.6-156.9-148.9 149.6 11.5 -0.7 66.8 78 83 A Y E +AE 7 93A 90 15,-2.7 14,-1.7 -2,-0.3 15,-1.7 -0.977 35.2 128.1-122.9 136.3 8.6 -1.0 64.3 79 84 A G E -AE 6 91A 0 -73,-2.3 -73,-1.7 -2,-0.4 2,-0.3 -0.908 43.2 -95.8-164.0-168.9 7.0 1.9 62.5 80 85 A H E -AE 5 90A 35 10,-1.7 10,-2.5 -2,-0.3 2,-0.5 -0.929 13.8-140.1-129.5 147.8 5.8 3.6 59.3 81 86 A F E -AE 4 89A 8 -77,-3.2 -77,-1.5 -2,-0.3 8,-0.2 -0.969 14.3-166.3-100.6 117.3 7.1 6.2 56.8 82 87 A L + 0 0 57 6,-2.8 -80,-0.6 -2,-0.5 2,-0.3 0.280 63.5 57.5 -91.3 7.7 4.3 8.5 55.8 83 88 A D S > S- 0 0 12 5,-0.3 3,-1.0 -82,-0.1 5,-0.1 -0.944 81.9-117.5-136.1 157.8 5.9 10.1 52.8 84 89 A K T 3 S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.810 114.6 53.8 -62.9 -31.0 7.5 9.0 49.6 85 90 A W T 3 S- 0 0 33 650,-0.0 -1,-0.3 642,-0.0 641,-0.2 0.675 103.9-131.8 -79.6 -14.1 10.9 10.3 50.5 86 91 A K S < S+ 0 0 86 -3,-1.0 3,-0.1 -84,-0.1 -2,-0.1 0.936 73.7 116.3 63.5 49.7 10.8 8.4 53.8 87 92 A T + 0 0 17 1,-0.2 753,-2.0 751,-0.1 2,-0.7 0.437 60.9 68.6-120.0 -11.9 11.9 11.3 55.9 88 93 A N + 0 0 7 751,-0.2 -6,-2.8 752,-0.1 2,-0.4 -0.807 68.8 163.4-113.7 90.5 8.7 11.5 58.0 89 94 A G E - E 0 81A 3 -2,-0.7 -38,-1.1 -8,-0.2 2,-0.3 -0.888 22.2-162.0-118.0 141.8 8.5 8.4 60.2 90 95 A I E -dE 51 80A 10 -10,-2.5 -10,-1.7 -2,-0.4 2,-0.6 -0.837 18.1-131.7-114.4 152.1 6.6 7.4 63.2 91 96 A V E -dE 52 79A 7 -40,-2.9 -38,-1.9 -2,-0.3 -12,-0.3 -0.927 20.0-179.8-106.8 117.9 7.3 4.7 65.7 92 97 A L E - 0 0 68 -14,-1.7 2,-0.3 -2,-0.6 -13,-0.2 0.751 60.7 -41.4 -87.9 -27.2 4.3 2.4 66.5 93 98 A G E - E 0 78A 29 -15,-1.7 -15,-2.7 2,-0.0 -1,-0.3 -0.991 51.9-103.9-179.9-177.9 6.0 0.1 69.0 94 99 A T E - E 0 77A 81 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.755 22.1-159.9-123.3 170.1 9.0 -1.9 70.0 95 100 A Y - 0 0 93 -19,-0.7 -19,-0.4 -2,-0.2 2,-0.1 -0.995 4.3-149.1-152.0 149.3 9.8 -5.7 70.0 96 101 A G + 0 0 52 -2,-0.3 2,-0.3 -21,-0.1 26,-0.1 -0.400 20.2 156.1-107.8-172.4 12.2 -7.9 71.8 97 102 A G - 0 0 23 -2,-0.1 26,-2.4 24,-0.1 2,-0.5 -0.942 46.6 -45.9 179.7-159.4 14.0 -11.2 70.9 98 103 A I E -H 122 0D 99 -2,-0.3 2,-1.0 24,-0.2 24,-0.2 -0.855 37.9-145.7-104.3 129.9 17.0 -13.3 71.7 99 104 A V E +H 121 0D 20 22,-2.6 22,-2.1 -2,-0.5 3,-0.1 -0.782 23.3 170.8 -93.8 96.6 20.5 -11.8 72.0 100 105 A R S S+ 0 0 203 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.793 70.3 11.0 -73.2 -31.5 22.8 -14.4 70.6 101 106 A E S S- 0 0 153 -3,-0.2 -1,-0.2 18,-0.1 18,-0.1 -0.986 80.9-105.4-147.9 154.4 25.8 -12.1 70.7 102 107 A K - 0 0 145 -2,-0.3 18,-0.0 -3,-0.1 16,-0.0 -0.673 42.8-126.2 -82.0 128.7 26.7 -8.6 72.0 103 108 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.317 24.2-100.3 -73.7 161.1 26.8 -6.1 69.2 104 109 A N > - 0 0 87 1,-0.1 3,-2.6 4,-0.1 10,-0.1 -0.731 25.0-151.4 -82.9 109.2 29.8 -3.8 68.5 105 110 A R T 3 S+ 0 0 131 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.529 92.9 65.9 -59.2 -5.5 29.0 -0.4 70.0 106 111 A L T 3 S+ 0 0 111 2,-0.1 -72,-0.4 8,-0.0 2,-0.3 0.631 95.7 65.3 -90.2 -16.9 31.2 1.2 67.4 107 112 A E S < S- 0 0 81 -3,-2.6 -74,-0.2 1,-0.1 3,-0.1 -0.776 92.7-101.7-105.3 151.3 28.8 0.1 64.6 108 113 A G S S+ 0 0 9 -76,-3.9 -4,-0.1 -2,-0.3 -1,-0.1 -0.060 94.7 58.9 -65.5 171.0 25.3 1.3 64.1 109 114 A F S S+ 0 0 53 1,-0.4 2,-0.3 -100,-0.2 -1,-0.2 0.804 100.6 74.0 75.4 33.5 22.1 -0.5 65.1 110 115 A S S S- 0 0 6 -101,-0.1 -1,-0.4 -5,-0.1 -36,-0.3 -0.946 98.9 -75.0-159.9 173.6 23.2 -0.7 68.7 111 116 A D > - 0 0 2 5,-0.7 3,-0.9 -38,-0.3 -100,-0.1 -0.720 36.9-152.8 -80.3 108.4 23.7 1.4 71.8 112 117 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -101,-0.0 0.761 94.7 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S+ 0 0 114 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.926 101.4 19.8 -45.6 -66.8 46.1 -5.0 122.1 256 261 A K T > S+ 0 0 77 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.875 136.8 37.4 -76.7 -39.3 43.0 -4.0 124.1 257 262 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.1 3,-0.2 0.951 98.5 70.4 -79.5 -56.3 40.5 -6.2 122.2 258 263 A G H X S+ 0 0 5 -4,-1.2 4,-2.1 1,-0.2 5,-0.2 0.796 103.7 45.4 -31.0 -52.4 42.3 -9.5 121.5 259 264 A P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.969 109.2 53.6 -61.8 -53.1 42.3 -10.5 125.1 260 265 A V H X S+ 0 0 2 -4,-0.7 4,-1.2 -3,-0.2 -2,-0.2 0.858 112.5 46.5 -48.4 -43.2 38.7 -9.6 125.8 261 266 A W H >< S+ 0 0 23 -4,-2.0 3,-1.1 -10,-0.2 -1,-0.2 0.985 112.1 45.8 -64.2 -62.5 37.6 -11.7 122.9 262 267 A Q H 3< S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.721 113.1 54.5 -55.8 -22.9 39.7 -14.8 123.6 263 268 A A H 3< S+ 0 0 71 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.776 100.1 70.7 -84.0 -29.0 38.6 -14.6 127.2 264 269 A V S << S- 0 0 20 -4,-1.2 31,-0.0 -3,-1.1 5,-0.0 -0.195 90.5 -76.4 -87.7 178.8 34.8 -14.6 126.7 265 270 A N > - 0 0 24 1,-0.1 4,-2.2 61,-0.1 -1,-0.2 -0.143 40.0-112.7 -66.5 162.2 32.1 -17.0 125.6 266 271 A R H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.970 120.0 48.2 -62.8 -51.7 31.7 -18.0 121.9 267 272 A S H > S+ 0 0 0 -103,-0.8 4,-1.6 62,-0.3 -1,-0.2 0.938 115.4 45.1 -50.9 -50.8 28.3 -16.3 121.8 268 273 A R H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.809 108.2 58.1 -64.3 -30.9 29.9 -13.2 123.3 269 274 A Q H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 105.2 50.4 -64.7 -41.7 32.8 -13.6 121.0 270 275 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.865 103.3 59.6 -64.4 -35.5 30.4 -13.3 118.1 271 276 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.938 109.3 43.9 -58.1 -46.0 28.9 -10.2 119.7 272 277 A L H X S+ 0 0 0 -4,-1.8 4,-3.7 2,-0.2 -2,-0.2 0.903 112.3 49.9 -66.7 -43.9 32.3 -8.5 119.5 273 278 A E H X S+ 0 0 1 -4,-2.3 4,-3.7 2,-0.2 5,-0.2 0.915 111.2 52.0 -61.6 -40.3 33.1 -9.7 115.9 274 279 A N H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.974 114.7 40.7 -57.3 -57.1 29.7 -8.4 114.9 275 280 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.890 117.1 51.1 -55.7 -42.3 30.4 -5.0 116.5 276 281 A A H X S+ 0 0 1 -4,-3.7 4,-2.7 2,-0.2 -2,-0.2 0.876 108.3 50.0 -64.6 -41.1 33.9 -5.3 115.1 277 282 A F H < S+ 0 0 26 -4,-3.7 -2,-0.2 2,-0.2 -1,-0.2 0.920 112.4 49.2 -64.9 -42.3 32.7 -6.0 111.6 278 283 A Q H < S+ 0 0 51 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.935 133.4 8.8 -63.0 -47.2 30.3 -3.1 111.7 279 284 A M H < S- 0 0 62 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.418 109.9-100.2-120.2 0.4 32.8 -0.4 113.0 280 285 A G >X - 0 0 33 -4,-2.7 3,-1.7 -5,-0.3 4,-1.4 0.180 36.5 -88.7 90.7 144.3 36.2 -2.0 112.8 281 286 A V H 3> S+ 0 0 20 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.819 127.8 63.7 -60.0 -27.5 38.1 -3.5 115.8 282 287 A G H 3> S+ 0 0 41 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.810 102.2 52.2 -65.5 -25.3 39.6 -0.1 116.4 283 288 A G H X4 S+ 0 0 18 -3,-1.7 3,-0.7 -4,-0.2 4,-0.3 0.940 104.4 50.5 -75.9 -49.4 36.1 1.1 117.1 284 289 A V H >< S+ 0 0 0 -4,-1.4 3,-2.5 1,-0.2 7,-0.2 0.871 100.1 68.3 -57.0 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-42.9 33.5 -8.0 130.3 295 300 A L H 3<5S+ 0 0 99 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.1 0.923 114.1 48.8 -62.4 -42.1 36.9 -9.1 131.5 296 301 A A T 3<5S- 0 0 83 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.519 114.7-124.7 -73.9 -5.4 35.7 -8.6 135.0 297 302 A G T < 5 + 0 0 34 -3,-0.9 2,-2.1 -5,-0.2 3,-0.2 0.585 63.3 143.5 72.5 10.8 32.6 -10.7 134.0 298 303 A D >>< + 0 0 83 -5,-1.9 3,-2.7 1,-0.2 4,-2.2 -0.408 18.6 169.1 -80.7 62.3 30.2 -7.9 135.1 299 304 A W H 3> S+ 0 0 71 -2,-2.1 4,-3.0 1,-0.3 5,-0.3 0.864 70.4 59.7 -41.4 -53.2 27.8 -8.7 132.2 300 305 A E H 3> S+ 0 0 130 1,-0.2 4,-1.0 -3,-0.2 -1,-0.3 0.733 113.0 40.7 -53.5 -22.8 25.0 -6.6 133.6 301 306 A K H <> S+ 0 0 91 -3,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.883 110.2 53.7 -91.2 -48.2 27.4 -3.6 133.4 302 307 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -9,-0.3 -2,-0.2 0.869 112.8 49.1 -51.9 -36.6 29.1 -4.4 130.1 303 308 A Y H X S+ 0 0 47 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.946 109.2 48.8 -66.8 -52.2 25.5 -4.5 128.8 304 309 A K H < S+ 0 0 132 -4,-1.0 4,-0.4 -5,-0.3 -2,-0.2 0.791 112.8 53.1 -58.9 -27.1 24.6 -1.2 130.4 305 310 A A H >< S+ 0 0 17 -4,-2.5 3,-1.2 2,-0.2 -2,-0.2 0.967 106.2 48.0 -74.2 -55.1 27.8 0.1 128.8 306 311 A G H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 6,-0.5 0.940 111.8 49.7 -51.4 -53.5 27.1 -0.9 125.3 307 312 A R T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.660 98.8 69.5 -63.4 -14.8 23.6 0.5 125.2 308 313 A D T < S+ 0 0 125 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 -0.103 87.2 94.5 -95.0 38.4 24.9 3.8 126.6 309 314 A S S <> S- 0 0 24 -3,-0.8 4,-1.8 1,-0.1 5,-0.1 -0.871 83.2-119.5-127.9 161.8 26.7 4.6 123.4 310 315 A L H > S+ 0 0 112 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.866 113.9 59.7 -62.5 -37.4 26.0 6.6 120.2 311 316 A W H 4 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 8,-0.2 0.911 105.2 45.9 -58.3 -48.2 26.5 3.4 118.3 312 317 A Y H >> S+ 0 0 27 -6,-0.5 3,-1.1 1,-0.2 4,-1.1 0.883 111.6 54.1 -64.1 -37.1 23.6 1.6 120.1 313 318 A Q H 3< S+ 0 0 136 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.1 39.4 -64.1 -39.7 21.5 4.7 119.7 314 319 A Q T 3< S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 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