==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/STRUCTURAL PROTEIN 28-JUL-07 2Z6B . COMPND 2 MOLECULE: TAIL-ASSOCIATED LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR T.KOSHIYAMA,N.YOKOI,T.UENO,S.KANAMARU,S.NAGANO,Y.SHIRO, . 941 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 55.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 17.2 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 . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 106 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 2 3 1 1 3 0 1 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 5 3 5 4 5 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 5 0 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 0 213 0, 0.0 2,-0.3 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 143.8 -1.6 9.7 50.5 2 7 A C - 0 0 59 80,-0.3 2,-0.2 2,-0.0 0, 0.0 -0.846 360.0-150.3-173.3 134.7 0.7 6.7 50.8 3 8 A L + 0 0 101 -2,-0.3 2,-0.3 79,-0.1 79,-0.2 -0.662 14.0 171.9-104.5 153.6 2.1 4.3 53.4 4 9 A N E -A 81 0A 74 77,-0.9 77,-3.0 -2,-0.2 2,-0.3 -0.962 21.2-134.0-159.6 143.3 5.4 2.3 53.7 5 10 A W E +A 80 0A 166 -2,-0.3 2,-0.3 75,-0.3 75,-0.3 -0.707 23.3 169.1-108.0 161.3 6.8 0.3 56.6 6 11 A F E -A 79 0A 9 73,-2.8 73,-2.3 -2,-0.3 2,-0.3 -0.961 24.2-143.0-155.9 169.4 10.2 0.1 58.2 7 12 A V E +A 78 0A 38 20,-0.3 20,-1.8 -2,-0.3 2,-0.3 -0.973 33.5 155.7-134.9 142.7 12.2 -1.3 61.1 8 13 A G E -AB 77 26A 0 69,-2.1 69,-3.3 -2,-0.3 2,-0.4 -0.905 37.8-107.1-155.8-176.4 15.0 0.7 62.7 9 14 A V E -AB 76 25A 11 16,-2.6 16,-2.7 -2,-0.3 2,-0.2 -0.987 28.8-124.3-126.3 134.6 17.0 1.2 65.8 10 15 A V E + B 0 24A 0 65,-2.3 64,-2.4 -2,-0.4 14,-0.2 -0.567 33.0 167.9 -72.1 138.8 16.7 4.2 68.1 11 16 A E E + 0 0 5 12,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.515 66.4 27.4-126.1 -16.2 20.0 6.0 68.5 12 17 A D E + B 0 23A 30 11,-1.0 11,-2.5 32,-0.1 -1,-0.4 -0.991 49.1 167.2-147.8 138.4 19.0 9.2 70.2 13 18 A R + 0 0 66 -2,-0.3 2,-2.0 9,-0.2 7,-0.1 0.307 45.0 110.6-134.3 5.2 16.0 10.0 72.4 14 19 A M - 0 0 138 6,-0.0 8,-0.1 4,-0.0 -1,-0.1 -0.400 52.4-170.4 -84.3 63.1 16.7 13.3 74.0 15 20 A D > - 0 0 11 -2,-2.0 3,-1.2 6,-0.5 5,-0.2 -0.348 17.2-150.6 -56.9 119.5 14.0 15.1 72.0 16 21 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.735 97.0 53.6 -65.9 -22.5 14.4 18.9 72.5 17 22 A L T 3 S- 0 0 62 4,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.556 103.3-132.4 -87.3 -9.9 10.6 19.4 72.1 18 23 A K < + 0 0 167 -3,-1.2 50,-0.1 1,-0.1 -4,-0.0 0.822 68.4 128.4 61.3 31.2 9.9 16.8 74.8 19 24 A L S S- 0 0 78 49,-0.0 33,-0.4 2,-0.0 -1,-0.1 0.279 84.1-103.2 -99.9 11.1 7.3 15.2 72.4 20 25 A G + 0 0 9 1,-0.2 30,-0.1 -5,-0.2 50,-0.1 0.592 67.8 156.7 81.3 10.6 8.7 11.7 72.7 21 26 A R - 0 0 23 30,-0.1 -6,-0.5 28,-0.1 2,-0.3 -0.261 23.1-161.8 -68.2 156.9 10.4 11.8 69.4 22 27 A V E - C 0 50A 4 28,-2.0 28,-2.6 -8,-0.1 2,-0.5 -0.999 21.0-123.4-142.3 142.5 13.3 9.5 68.6 23 28 A R E -BC 12 49A 34 -11,-2.5 -12,-2.3 -2,-0.3 -11,-1.0 -0.739 36.0-163.1 -83.3 127.7 16.1 9.6 66.0 24 29 A V E -B 10 0A 1 24,-1.0 2,-0.7 -2,-0.5 -14,-0.2 -0.944 20.8-150.5-120.5 134.0 15.9 6.3 64.2 25 30 A R E -B 9 0A 0 -16,-2.7 -16,-2.6 -2,-0.4 2,-0.6 -0.904 30.0-141.9 -96.6 120.8 18.5 4.7 62.0 26 31 A V E > -B 8 0A 3 -2,-0.7 4,-1.8 -18,-0.2 -18,-0.3 -0.770 10.3-121.8 -91.7 124.1 16.4 2.7 59.5 27 32 A V T 4 S+ 0 0 80 -20,-1.8 2,-0.9 -2,-0.6 -20,-0.3 -0.360 95.0 17.0 -57.7 137.2 17.6 -0.7 58.4 28 33 A G T 4 S+ 0 0 58 2,-0.4 -1,-0.2 1,-0.1 -20,-0.0 -0.607 126.4 44.0 101.4 -76.4 17.9 -0.6 54.7 29 34 A L T 4 S+ 0 0 27 -2,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.547 106.2 65.4 -86.2 -7.3 17.9 3.1 53.6 30 35 A H S < S- 0 0 16 -4,-1.8 -2,-0.4 10,-0.0 662,-0.1 -0.937 82.4-129.4-113.4 139.1 20.3 4.2 56.3 31 36 A P - 0 0 8 0, 0.0 11,-0.2 0, 0.0 78,-0.2 -0.551 10.2-128.0 -88.1 154.1 23.9 3.0 56.4 32 37 A P S S+ 0 0 41 0, 0.0 76,-2.4 0, 0.0 2,-0.2 0.851 79.6 101.6 -63.9 -40.9 25.8 1.5 59.4 33 38 A Q - 0 0 57 74,-0.2 9,-2.2 1,-0.2 4,-0.1 -0.292 50.4-171.6 -54.1 114.2 28.8 3.8 59.1 34 39 A R + 0 0 37 72,-0.4 2,-0.5 7,-0.2 -1,-0.2 0.878 68.3 78.1 -75.4 -38.2 28.4 6.6 61.7 35 40 A A S S- 0 0 82 7,-0.1 5,-0.1 6,-0.1 7,-0.1 -0.630 94.4-112.7 -76.4 119.9 31.4 8.6 60.3 36 41 A Q - 0 0 97 -2,-0.5 5,-0.3 5,-0.2 2,-0.1 -0.242 40.5-179.8 -57.6 132.1 30.3 10.5 57.2 37 42 A G - 0 0 32 3,-2.5 655,-0.1 655,-0.2 -1,-0.1 -0.379 44.8 -84.4-117.0-165.7 31.8 9.4 53.9 38 43 A D S S+ 0 0 91 -2,-0.1 654,-0.1 1,-0.1 671,-0.1 0.927 123.0 7.5 -70.7 -44.6 31.5 10.5 50.3 39 44 A V S S+ 0 0 48 1,-0.2 653,-2.4 652,-0.1 2,-0.3 0.783 133.5 19.4-106.4 -40.3 28.4 8.4 49.5 40 45 A M B +f 692 0B 78 651,-0.2 -3,-2.5 -5,-0.1 653,-0.2 -0.794 68.0 99.2-128.5 173.3 27.3 7.0 52.8 41 46 A G - 0 0 0 651,-1.4 -7,-0.2 -5,-0.3 -5,-0.2 0.077 32.5-169.4 119.6 129.7 27.7 7.6 56.6 42 47 A I - 0 0 0 -9,-2.2 -7,-0.1 -11,-0.2 5,-0.1 -0.906 15.7-137.4-153.8 119.3 25.4 9.4 59.0 43 48 A P >> - 0 0 33 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.277 31.7-109.0 -70.4 163.8 26.0 10.5 62.6 44 49 A T G >4 S+ 0 0 19 1,-0.3 3,-2.2 2,-0.2 -32,-0.1 0.955 116.9 51.3 -59.8 -54.7 23.3 10.0 65.2 45 50 A E G 34 S+ 0 0 102 1,-0.3 -1,-0.3 -34,-0.1 4,-0.1 0.311 105.0 60.7 -68.2 11.4 22.3 13.6 65.6 46 51 A K G <4 S+ 0 0 75 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.535 80.4 97.7-108.6 -17.1 22.0 13.8 61.9 47 52 A L S << S- 0 0 0 -3,-2.2 -22,-0.1 -4,-0.6 -36,-0.1 -0.639 85.7-114.1 -73.8 122.4 19.2 11.1 61.8 48 53 A P - 0 0 38 0, 0.0 -24,-1.0 0, 0.0 2,-0.2 -0.146 30.0-106.3 -57.0 149.5 15.9 13.0 61.6 49 54 A W E -C 23 0A 43 -26,-0.2 2,-0.3 -4,-0.1 -26,-0.2 -0.579 31.4-154.1 -80.8 144.3 13.5 12.7 64.6 50 55 A M E -C 22 0A 13 -28,-2.6 -28,-2.0 -2,-0.2 40,-0.2 -0.884 14.3-123.4-114.7 149.0 10.4 10.5 64.2 51 56 A S E -d 90 0A 17 38,-1.0 40,-2.8 -2,-0.3 2,-0.3 -0.550 21.9-128.6 -89.9 157.9 7.2 10.9 66.2 52 57 A V E -d 91 0A 35 -33,-0.4 2,-0.5 38,-0.2 40,-0.2 -0.827 3.6-143.2-110.1 147.1 5.6 8.2 68.3 53 58 A I - 0 0 72 38,-1.9 3,-0.1 -2,-0.3 37,-0.0 -0.900 23.3-146.9-102.3 130.4 2.1 6.9 68.3 54 59 A Q - 0 0 51 -2,-0.5 14,-0.1 1,-0.1 39,-0.0 -0.638 28.6 -87.4 -96.9 159.1 0.9 6.0 71.8 55 60 A P > - 0 0 87 0, 0.0 3,-2.3 0, 0.0 11,-0.2 -0.238 42.9-111.0 -58.0 152.2 -1.6 3.2 72.7 56 61 A I T 3 S+ 0 0 164 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.510 113.3 75.7 -68.1 -2.1 -5.2 4.3 72.5 57 62 A T T 3 S+ 0 0 124 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.669 82.8 83.9 -78.7 -14.6 -5.5 4.0 76.3 58 63 A S < - 0 0 15 -3,-2.3 7,-0.1 1,-0.2 -4,-0.1 -0.790 64.6-163.6 -94.4 115.8 -3.5 7.3 76.2 59 64 A A - 0 0 61 -2,-0.7 6,-0.3 2,-0.1 -1,-0.2 0.841 16.2-154.9 -61.9 -35.6 -5.6 10.4 75.7 60 65 A A + 0 0 63 4,-0.8 2,-0.4 1,-0.2 5,-0.2 0.937 45.1 138.1 56.0 49.0 -2.6 12.4 74.8 61 66 A M B > S-G 64 0C 119 3,-2.7 3,-3.9 1,-0.1 -1,-0.2 -0.965 73.7 -37.0-133.1 119.9 -4.5 15.6 76.0 62 67 A S T 3 S- 0 0 118 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 129.0 -37.1 35.0 58.8 -3.1 18.5 78.0 63 68 A G T 3 S+ 0 0 87 1,-0.2 2,-0.6 3,-0.1 -1,-0.3 0.447 111.8 128.7 77.8 -2.4 -1.0 16.1 80.1 64 69 A I B < +G 61 0C 107 -3,-3.9 -3,-2.7 -5,-0.1 -4,-0.8 -0.796 49.7 48.2 -90.1 121.4 -3.7 13.4 80.0 65 70 A G S S- 0 0 41 -2,-0.6 2,-0.1 -6,-0.3 -7,-0.1 -0.892 87.8 -61.7 143.3-172.4 -2.3 10.1 78.9 66 71 A G S S- 0 0 45 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.1 -0.401 73.1 -50.1-100.4-177.9 0.7 7.9 79.7 67 72 A S - 0 0 88 1,-0.2 -1,-0.2 -2,-0.1 -9,-0.0 -0.186 36.9-153.5 -51.0 137.4 4.4 8.3 79.4 68 73 A V S S+ 0 0 59 -3,-0.1 2,-0.3 -50,-0.1 -1,-0.2 0.353 76.2 69.9 -93.4 2.2 5.5 9.5 76.0 69 74 A T + 0 0 100 1,-0.1 3,-0.1 -17,-0.0 -2,-0.0 -0.760 38.8 117.2-119.0 165.4 8.8 7.8 76.6 70 75 A G + 0 0 59 1,-0.5 -1,-0.1 -2,-0.3 321,-0.1 -0.018 45.5 102.5 172.2 -50.6 10.1 4.3 76.8 71 76 A P - 0 0 26 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 -0.333 53.3-155.6 -60.2 133.8 12.6 3.4 74.0 72 77 A V > - 0 0 23 1,-0.1 3,-2.7 -3,-0.1 -62,-0.2 -0.731 42.9 -73.8-103.3 159.7 16.3 3.4 75.3 73 78 A E T 3 S+ 0 0 31 -2,-0.3 38,-0.3 1,-0.3 43,-0.2 -0.317 126.6 28.5 -54.1 122.6 19.2 4.0 72.9 74 79 A G T 3 S+ 0 0 24 -64,-2.4 -1,-0.3 1,-0.3 37,-0.1 0.212 83.2 143.9 110.2 -16.7 19.4 0.8 70.9 75 80 A T < - 0 0 30 -3,-2.7 -65,-2.3 -66,-0.1 2,-0.3 -0.333 52.8-119.7 -60.0 130.2 15.7 -0.3 71.1 76 81 A R E -AE 9 95A 73 19,-0.6 19,-2.1 -67,-0.2 2,-0.3 -0.586 35.8-159.7 -77.5 132.1 14.4 -2.0 67.9 77 82 A V E -AE 8 94A 0 -69,-3.3 -69,-2.1 -2,-0.3 2,-0.4 -0.844 17.2-155.8-121.7 147.5 11.5 -0.1 66.3 78 83 A Y E +AE 7 93A 86 15,-3.7 14,-2.8 -2,-0.3 15,-1.5 -0.952 33.9 130.5-118.5 140.2 8.6 -0.7 63.9 79 84 A G E -AE 6 91A 0 -73,-2.3 -73,-2.8 -2,-0.4 2,-0.3 -0.990 44.5-101.1-170.9 179.6 7.0 2.0 61.9 80 85 A H E -AE 5 90A 38 10,-1.8 10,-2.4 -2,-0.3 2,-0.5 -0.867 19.0-140.5-118.1 149.2 5.6 3.6 58.8 81 86 A F E -AE 4 89A 12 -77,-3.0 -77,-0.9 -2,-0.3 8,-0.3 -0.916 13.4-160.1-104.3 135.3 7.0 6.3 56.5 82 87 A L + 0 0 54 6,-3.4 2,-0.3 -2,-0.5 -80,-0.3 0.151 63.3 56.3-105.7 20.7 4.2 8.6 55.4 83 88 A D S > S- 0 0 20 1,-0.1 3,-2.5 -82,-0.1 5,-0.2 -0.998 80.6-117.5-151.7 147.1 5.7 10.2 52.3 84 89 A K T 3 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.3 -81,-0.0 0.855 116.4 52.8 -48.9 -39.7 7.1 9.0 49.0 85 90 A W T 3 S- 0 0 26 -3,-0.1 -1,-0.3 658,-0.0 650,-0.1 0.510 105.4-129.6 -77.9 -4.5 10.5 10.5 49.9 86 91 A K S < S+ 0 0 87 -3,-2.5 3,-0.1 2,-0.1 -2,-0.1 0.975 73.2 118.3 51.5 64.3 10.6 8.7 53.3 87 92 A T + 0 0 17 1,-0.1 761,-3.3 759,-0.1 2,-0.3 0.192 64.3 59.2-137.5 7.2 11.4 11.8 55.4 88 93 A N + 0 0 7 759,-0.2 -6,-3.4 -5,-0.2 2,-0.3 -0.719 68.2 154.2-141.5 86.0 8.3 11.7 57.5 89 94 A G E - E 0 81A 4 -8,-0.3 -38,-1.0 -2,-0.3 2,-0.3 -0.860 25.9-156.7-118.1 152.4 8.0 8.5 59.5 90 95 A I E -dE 51 80A 16 -10,-2.4 -10,-1.8 -2,-0.3 2,-0.5 -0.926 18.2-128.1-123.7 149.1 6.3 7.6 62.7 91 96 A V E -dE 52 79A 7 -40,-2.8 -38,-1.9 -2,-0.3 -12,-0.3 -0.838 20.6-177.9 -97.4 131.0 7.1 4.8 65.0 92 97 A L E - 0 0 74 -14,-2.8 2,-0.3 -2,-0.5 -13,-0.2 0.847 61.8 -17.6 -96.3 -41.1 4.2 2.5 66.0 93 98 A G E - E 0 78A 28 -15,-1.5 -15,-3.7 -41,-0.0 -1,-0.3 -0.960 54.6-122.4-157.1 172.3 5.9 0.1 68.4 94 99 A T E - E 0 77A 83 -2,-0.3 2,-0.3 -17,-0.3 -17,-0.2 -0.621 27.1-170.7-112.0 173.6 9.1 -1.4 69.6 95 100 A Y E - E 0 76A 96 -19,-2.1 -19,-0.6 -2,-0.2 2,-0.3 -0.944 4.5-160.8-156.9 174.7 10.1 -5.1 69.6 96 101 A G + 0 0 46 -2,-0.3 2,-0.2 -21,-0.1 26,-0.1 -0.951 12.7 155.6-155.4 174.8 12.8 -7.5 70.9 97 102 A G - 0 0 20 -2,-0.3 26,-2.3 24,-0.1 2,-0.5 -0.792 51.4 -22.0-168.2-147.4 14.4 -10.9 70.5 98 103 A I E -H 122 0D 83 -2,-0.2 2,-1.0 24,-0.2 24,-0.2 -0.771 44.7-149.8 -92.1 125.0 17.5 -13.0 71.1 99 104 A V E +H 121 0D 17 22,-1.0 22,-2.4 -2,-0.5 3,-0.1 -0.790 21.2 172.6 -95.9 95.4 20.8 -11.1 71.5 100 105 A R + 0 0 211 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.723 66.3 6.7 -75.5 -23.6 23.4 -13.6 70.2 101 106 A E S S- 0 0 148 18,-0.1 -1,-0.2 20,-0.1 18,-0.1 -0.989 77.8-104.1-158.5 150.1 26.3 -11.1 70.3 102 107 A K - 0 0 116 -2,-0.3 2,-0.2 -3,-0.1 18,-0.0 -0.414 43.5-126.4 -71.5 153.4 27.1 -7.7 71.5 103 108 A P - 0 0 62 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.579 26.6 -93.0 -99.0 169.3 27.3 -5.1 68.7 104 109 A N > - 0 0 92 -2,-0.2 3,-0.8 1,-0.2 10,-0.1 -0.728 29.0-148.5 -82.0 111.6 30.1 -2.8 67.8 105 110 A R T 3 S+ 0 0 136 -2,-0.8 -1,-0.2 1,-0.3 5,-0.1 0.856 98.0 55.7 -45.6 -38.1 29.3 0.4 69.7 106 111 A L T 3 S+ 0 0 115 -3,-0.1 -72,-0.4 7,-0.1 -1,-0.3 0.866 93.0 74.9 -65.6 -42.8 31.0 2.1 66.8 107 112 A E S < S- 0 0 94 -3,-0.8 -74,-0.2 1,-0.1 0, 0.0 -0.490 91.6 -99.7 -75.8 142.4 29.1 0.7 63.9 108 113 A G S S+ 0 0 9 -76,-2.4 -4,-0.1 -2,-0.2 -1,-0.1 0.279 95.5 55.3 -49.6-177.9 25.6 2.0 63.3 109 114 A F S S+ 0 0 47 -78,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.872 96.9 81.3 56.0 43.8 22.2 0.4 64.3 110 115 A S S S- 0 0 7 -101,-0.1 -36,-0.2 -5,-0.1 -1,-0.2 -0.982 94.3 -76.5-164.3 166.1 23.2 0.2 68.0 111 116 A D - 0 0 2 5,-0.4 3,-0.4 -2,-0.3 -100,-0.1 -0.612 39.9-152.1 -70.2 121.7 23.5 2.2 71.2 112 117 A P S S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 0.971 90.0 59.4 -60.5 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-78.0 -48.2 32.8 2.7 99.0 202 207 A M - 0 0 50 -9,-0.7 2,-3.3 2,-0.2 -1,-0.3 -0.912 66.1-116.0-160.3 129.8 34.5 5.8 100.5 203 208 A K S S+ 0 0 58 -2,-0.3 -11,-0.1 -3,-0.2 -3,-0.0 -0.264 83.5 93.1 -66.7 62.0 34.2 7.4 103.9 204 209 A Q S S- 0 0 118 -2,-3.3 2,-0.8 2,-0.1 -2,-0.2 -0.993 84.7-114.3-152.3 151.2 32.8 10.7 102.5 205 210 A P + 0 0 89 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.047 61.1 154.7 -78.6 37.5 29.4 12.2 101.8 206 211 A V + 0 0 36 -2,-0.8 -2,-0.1 -4,-0.2 -4,-0.1 -0.404 21.0 173.3 -66.7 138.4 30.1 12.1 98.1 207 212 A R + 0 0 143 -2,-0.1 2,-0.5 -15,-0.1 -1,-0.1 0.659 43.2 107.1-118.3 -28.3 27.1 12.0 95.8 208 213 A D > - 0 0 100 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.361 54.1-158.6 -57.1 107.6 28.6 12.3 92.3 209 214 A M H > S+ 0 0 10 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.816 86.3 66.7 -59.2 -31.6 28.4 8.9 90.7 210 215 A A H > S+ 0 0 75 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.958 108.9 36.9 -53.7 -54.6 31.1 9.7 88.2 211 216 A Q H >> S+ 0 0 44 -3,-0.4 3,-2.1 1,-0.2 4,-1.8 0.987 113.9 56.2 -59.5 -62.6 33.7 9.9 91.0 212 217 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 5,-0.2 0.820 104.8 53.3 -38.1 -48.7 32.2 7.0 93.0 213 218 A N H 3X S+ 0 0 13 -4,-2.8 4,-1.5 2,-0.2 11,-0.5 0.781 105.6 53.1 -63.8 -28.8 32.5 4.6 90.1 214 219 A K H S+ 0 0 20 -4,-1.5 4,-2.3 1,-0.2 5,-1.1 0.887 103.9 53.0 -69.5 -37.9 36.4 0.3 89.9 218 223 A K H <5S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.668 111.1 49.2 -69.8 -15.6 39.7 0.5 91.8 219 224 A Q H 45S+ 0 0 78 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.707 120.9 31.9 -95.8 -22.4 38.1 -1.8 94.4 220 225 A V H <5S- 0 0 35 -4,-1.3 -2,-0.2 2,-0.3 -3,-0.2 0.513 99.3-126.9-110.3 -10.4 36.7 -4.3 92.0 221 226 A G T <5S+ 0 0 73 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.848 79.8 95.5 66.4 31.7 39.4 -4.1 89.3 222 227 A R S + 0 0 94 -2,-0.5 5,-0.5 5,-0.2 -1,-0.0 -0.304 25.9 84.5-125.0-156.2 29.3 2.5 84.9 226 231 A G T 5S- 0 0 33 3,-0.1 4,-0.1 -2,-0.1 -13,-0.0 0.564 86.3 -90.4 61.8 135.6 25.6 3.5 84.9 227 232 A N T 5S+ 0 0 116 1,-0.1 2,-0.8 2,-0.1 -42,-0.1 0.939 126.0 51.9 -45.2 -72.7 24.7 6.3 87.2 228 233 A P T 5S- 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.498 104.0-128.5 -66.1 113.8 23.9 4.1 90.1 229 234 A G T 5 - 0 0 1 -2,-0.8 -44,-2.2 -5,-0.1 2,-0.4 -0.369 30.0-156.6 -57.8 142.4 27.2 2.1 90.0 230 235 A S B < -M 184 0H 52 -5,-0.5 2,-0.3 -46,-0.2 -46,-0.2 -0.982 14.2-172.0-132.8 138.5 26.4 -1.6 89.9 231 236 A I - 0 0 10 -48,-0.8 -35,-0.1 -2,-0.4 2,-0.0 -0.793 23.5-109.2-121.8 164.8 28.3 -4.7 90.9 232 237 A T > - 0 0 50 -2,-0.3 4,-0.8 1,-0.1 -1,-0.1 -0.161 29.7-106.8 -83.7 178.1 27.7 -8.5 90.5 233 238 A M H >> S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.971 123.2 42.8 -67.8 -56.4 26.9 -11.1 93.0 234 239 A E H 3> S+ 0 0 129 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.905 111.3 55.8 -55.2 -45.2 30.4 -12.6 92.9 235 240 A E H 3> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.757 109.5 48.1 -61.4 -24.1 31.8 -9.1 93.0 236 241 A A H X S+ 0 0 16 -4,-3.7 4,-2.6 2,-0.2 3,-1.3 0.977 110.0 41.7 -53.4 -66.5 35.5 -9.1 106.5 245 250 A A H 3X S+ 0 0 49 -4,-2.7 4,-2.3 1,-0.3 5,-0.2 0.856 106.9 65.8 -51.3 -39.3 39.1 -10.5 106.8 246 251 A D H 3X S+ 0 0 107 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.3 0.894 111.9 33.2 -52.2 -41.7 40.3 -6.9 106.9 247 252 A M H < S+ 0 0 7 -4,-2.5 2,-3.5 1,-0.3 3,-3.0 0.996 102.5 52.7 -67.5 -71.4 40.6 -6.9 115.9 252 257 A K T 3< S+ 0 0 56 -4,-1.4 -1,-0.3 1,-0.3 3,-0.1 -0.360 121.2 35.3 -65.0 71.7 42.7 -9.8 116.9 253 258 A S T 3 S+ 0 0 96 -2,-3.5 2,-0.6 -3,-0.3 -1,-0.3 0.274 78.6 127.4 160.8 -4.9 45.7 -7.4 117.1 254 259 A H <> - 0 0 49 -3,-3.0 4,-2.3 -4,-0.2 -1,-0.2 -0.676 54.6-141.7 -82.5 118.9 44.5 -4.1 118.3 255 260 A S T 4 S+ 0 0 110 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.841 102.2 33.8 -40.2 -44.6 46.5 -2.9 121.2 256 261 A K T 4 S+ 0 0 117 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.847 133.8 24.0 -85.4 -38.7 43.3 -1.5 122.8 257 262 A V T > S+ 0 0 8 2,-0.1 4,-1.8 -6,-0.1 3,-0.3 0.825 100.5 79.0 -98.8 -39.4 40.7 -4.0 121.7 258 263 A G H X S+ 0 0 16 -4,-2.3 4,-1.5 1,-0.2 5,-0.2 0.808 93.4 57.7 -39.7 -37.1 42.6 -7.2 121.0 259 264 A P H >> S+ 0 0 76 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.991 107.0 44.7 -58.3 -60.2 42.7 -7.8 124.7 260 265 A V H 3> S+ 0 0 9 -4,-0.4 4,-0.9 -3,-0.3 -2,-0.2 0.731 106.7 62.8 -56.2 -27.8 38.9 -7.7 125.1 261 266 A W H 3< S+ 0 0 83 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.947 108.0 38.3 -66.5 -48.2 38.4 -9.9 122.0 262 267 A Q H << S+ 0 0 78 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.840 111.3 58.1 -72.9 -34.6 40.2 -13.0 123.4 263 268 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.717 98.5 74.2 -69.7 -21.9 38.9 -12.7 127.0 264 269 A V S < S- 0 0 26 -4,-0.9 5,-0.0 -3,-0.3 31,-0.0 -0.424 89.1 -85.5 -96.0 168.0 35.2 -12.9 126.0 265 270 A N > - 0 0 19 -2,-0.1 4,-2.3 1,-0.1 -1,-0.2 -0.150 43.1-104.2 -64.3 159.7 32.8 -15.6 124.8 266 271 A R H > S+ 0 0 41 -101,-0.5 4,-1.9 2,-0.2 -101,-0.2 0.915 124.4 41.5 -50.6 -47.2 32.5 -16.6 121.2 267 272 A S H > S+ 0 0 0 -103,-0.9 4,-2.0 62,-0.3 5,-0.2 0.986 112.3 50.8 -65.1 -59.6 29.3 -14.7 121.0 268 273 A R H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.788 108.6 58.9 -50.0 -26.1 30.4 -11.6 123.0 269 274 A Q H >X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 3,-1.8 0.991 102.3 48.3 -65.9 -61.4 33.3 -11.7 120.6 270 275 A M H 3X S+ 0 0 14 -4,-1.9 4,-3.5 1,-0.3 5,-0.3 0.849 102.2 64.3 -46.1 -43.8 31.2 -11.3 117.4 271 276 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.892 109.1 41.3 -49.8 -40.1 29.3 -8.4 119.1 272 277 A L H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 3,-1.9 0.991 107.9 54.7 -55.6 -60.2 33.6 -7.8 115.6 274 279 A N H 3X S+ 0 0 0 -4,-3.5 4,-1.5 1,-0.3 -2,-0.2 0.870 106.8 49.2 -35.0 -62.6 30.2 -6.6 114.3 275 280 A M H 3X S+ 0 0 7 -4,-1.6 4,-3.0 -5,-0.3 -1,-0.3 0.796 112.8 51.1 -51.2 -31.4 30.8 -3.0 115.7 276 281 A A H X - 0 0 32 -4,-3.7 4,-1.9 -5,-0.3 3,-1.5 0.305 32.2 -83.0 86.6 146.1 36.2 0.3 112.3 281 286 A V H 3> S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.835 133.3 49.3 -50.3 -37.5 38.6 -1.1 115.0 282 287 A G H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.741 106.4 58.8 -75.5 -21.0 39.6 2.5 115.8 283 288 A G H X4 S+ 0 0 29 -3,-1.5 3,-0.6 -4,-0.1 -2,-0.2 0.911 109.1 40.7 -72.9 -43.9 35.9 3.3 116.0 284 289 A V H >< S+ 0 0 6 -4,-1.9 3,-2.6 1,-0.2 2,-1.1 0.893 101.2 70.6 -71.1 -41.4 35.1 0.8 118.8 285 290 A A T 3< S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.142 89.1 68.4 -65.7 27.1 38.3 1.5 120.7 286 291 A K T < S+ 0 0 68 -2,-1.1 2,-1.5 -3,-0.6 -1,-0.3 0.479 72.5 87.3-119.2 -13.1 36.7 4.9 121.6 287 292 A F X> + 0 0 44 -3,-2.6 4,-1.5 1,-0.2 3,-0.8 -0.437 59.3 175.9 -87.8 60.8 34.0 3.6 123.8 288 293 A N H >> + 0 0 101 -2,-1.5 4,-2.0 1,-0.2 3,-1.0 0.816 69.6 45.0 -26.1 -92.6 36.1 3.6 127.0 289 294 A T H 3> S+ 0 0 88 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.716 110.4 57.2 -29.2 -44.6 33.7 2.6 129.7 290 295 A M H <> S+ 0 0 4 -3,-0.8 4,-2.6 2,-0.2 -1,-0.3 0.960 111.2 37.9 -61.1 -54.9 32.2 -0.3 127.6 291 296 A L H S+ 0 0 10 -4,-3.1 5,-2.5 1,-0.2 -1,-0.2 0.832 115.5 55.9 -52.0 -34.9 33.4 -2.6 132.0 294 299 A M H ><5S+ 0 0 10 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.951 106.0 47.9 -64.4 -50.4 33.5 -5.5 129.5 295 300 A L H 3<5S+ 0 0 67 -4,-3.5 2,-1.0 1,-0.3 -2,-0.2 0.965 107.0 57.3 -52.4 -56.4 36.9 -6.7 130.5 296 301 A A T 3<5S- 0 0 81 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.121 116.4-117.5 -64.3 24.3 35.9 -6.6 134.2 297 302 A G T < 5S+ 0 0 40 -3,-1.5 2,-1.1 -2,-1.0 -3,-0.2 0.681 72.0 137.8 44.1 26.0 33.1 -8.9 133.2 298 303 A D >< + 0 0 77 -5,-2.5 4,-1.7 -6,-0.2 5,-0.2 -0.656 25.4 176.3-100.4 76.3 30.5 -6.4 134.3 299 304 A W H > S+ 0 0 81 -2,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.551 70.6 64.1 -58.2 -9.4 28.1 -6.9 131.3 300 305 A E H > S+ 0 0 58 2,-0.2 4,-2.7 3,-0.1 3,-0.4 0.964 105.3 36.6 -77.6 -75.3 25.7 -4.4 132.9 301 306 A K H > S+ 0 0 38 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.802 118.7 55.0 -45.8 -34.6 27.6 -1.1 132.8 302 307 A A H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -1,-0.3 0.961 109.5 45.0 -64.5 -51.8 29.1 -2.3 129.5 303 308 A Y H X S+ 0 0 55 -4,-1.3 4,-0.7 -3,-0.4 -2,-0.2 0.938 115.4 47.4 -56.1 -52.5 25.6 -2.8 128.0 304 309 A K H >X S+ 0 0 55 -4,-2.7 4,-1.8 1,-0.2 3,-1.7 0.965 114.6 46.3 -55.0 -54.8 24.4 0.5 129.4 305 310 A A H 3< S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.878 107.5 56.8 -56.2 -42.0 27.5 2.3 128.1 306 311 A G H 3< S+ 0 0 2 -4,-3.1 -1,-0.3 1,-0.2 3,-0.2 0.654 113.1 42.8 -66.3 -12.0 27.2 0.7 124.7 307 312 A R H << S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.7 6,-0.3 0.686 96.3 72.0-104.1 -25.2 23.7 2.1 124.5 308 313 A D S < S+ 0 0 146 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 -0.018 86.9 109.6 -78.8 32.9 24.5 5.6 125.9 309 314 A S S >> S- 0 0 34 -2,-0.3 4,-2.5 -3,-0.2 3,-0.6 -0.887 80.0-129.4-120.7 146.8 26.2 6.2 122.5 310 315 A L H 3> S+ 0 0 119 -2,-0.4 4,-3.0 1,-0.3 5,-0.3 0.911 113.5 62.5 -48.4 -44.2 25.6 8.2 119.4 311 316 A W H 3> S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.914 107.6 40.6 -47.0 -52.1 26.2 4.8 117.6 312 317 A Y H X> S+ 0 0 43 -3,-0.6 4,-3.5 2,-0.2 3,-0.6 0.987 110.6 56.5 -61.8 -60.4 23.2 3.3 119.4 313 318 A Q H 3< S+ 0 0 142 -4,-2.5 -2,-0.2 -6,-0.3 -1,-0.2 0.865 122.0 29.2 -38.0 -49.4 21.0 6.4 119.0 314 319 A Q H 3< S+ 0 0 56 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.644 121.1 49.4 -92.1 -16.6 21.6 6.2 115.2 315 320 A T H X< S+ 0 0 24 -4,-2.3 3,-1.4 -3,-0.6 4,-0.3 0.705 81.1 167.9 -93.5 -19.4 22.1 2.5 114.7 316 321 A K T 3< + 0 0 115 -4,-3.5 2,-0.8 1,-0.2 139,-0.3 0.648 60.3 17.2 10.6 123.2 19.0 1.6 116.7 317 322 A G T 3> S+ 0 0 14 137,-0.8 4,-0.9 1,-0.2 -1,-0.2 -0.355 124.3 53.1 96.4 -59.6 17.8 -2.0 116.3 318 323 A R H <> S+ 0 0 25 -3,-1.4 4,-0.8 -2,-0.8 -2,-0.2 0.880 114.6 44.2 -76.8 -37.9 21.0 -3.5 115.0 319 324 A A H >>>S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 3,-2.2 0.970 109.6 55.1 -66.7 -52.1 22.8 -2.0 117.9 320 325 A S H 3>5S+ 0 0 17 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.781 105.9 55.1 -51.4 -27.5 20.1 -3.1 120.3 321 326 A R H 3<5S+ 0 0 59 -4,-0.9 4,-0.4 2,-0.1 -1,-0.3 0.744 114.1 38.6 -78.3 -24.0 20.7 -6.5 118.9 322 327 A V H XX5S+ 0 0 0 -3,-2.2 4,-2.6 -4,-0.8 3,-1.2 0.890 110.6 52.3 -93.8 -48.6 24.4 -6.4 119.7 323 328 A T H 3<5S+ 0 0 1 -4,-2.6 4,-0.3 1,-0.3 -3,-0.2 0.862 105.4 62.7 -54.8 -28.3 24.6 -4.6 123.1 324 329 A M T 3X S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.4 -2,-0.2 0.957 107.8 54.7 -71.1 -52.6 24.9 -9.8 123.1 326 331 A I H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -23,-0.2 0.553 117.5 44.6 -60.2 -0.6 27.6 -7.8 125.0 327 332 A L H 4 S+ 0 0 27 -3,-0.4 -2,-0.2 -5,-0.4 -1,-0.2 0.797 123.5 24.9-107.7 -47.9 25.0 -8.2 127.8 328 333 A T H < S- 0 0 17 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.808 90.7-125.9 -92.1 -33.9 23.8 -11.8 127.7 329 334 A G S < S+ 0 0 0 -4,-2.1 -165,-3.3 1,-0.4 -62,-0.3 0.715 75.5 88.3 93.4 21.7 26.6 -13.7 126.1 330 335 A N S S- 0 0 3 -167,-0.3 3,-0.4 -6,-0.2 -1,-0.4 -0.936 77.2-121.1-144.7 168.5 24.5 -15.4 123.4 331 336 A L S >S+ 0 0 0 5,-0.3 5,-1.3 -2,-0.3 3,-0.1 -0.343 72.4 115.4-107.5 50.0 23.3 -14.7 119.8 332 337 A E T > 5 + 0 0 15 3,-0.2 3,-3.3 1,-0.2 -1,-0.2 0.710 60.3 75.7 -87.9 -22.2 19.6 -14.9 120.5 333 338 A S T 3 5S+ 0 0 7 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.805 101.3 45.6 -56.2 -27.7 19.2 -11.2 119.6 334 339 A Y T 3 5S- 0 0 27 -3,-0.1 -1,-0.3 -13,-0.1 -2,-0.2 0.163 130.8-101.0-101.5 17.4 19.5 -12.6 116.1 335 340 A G T < 5S+ 0 0 15 -3,-3.3 2,-0.8 1,-0.2 -3,-0.2 0.846 74.3 144.0 69.1 36.7 17.1 -15.5 116.9 336 341 A V < - 0 0 24 -5,-1.3 -5,-0.3 32,-0.1 -1,-0.2 -0.782 43.8-143.7-109.4 87.1 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