==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-02 1LQ0 . COMPND 2 MOLECULE: CHITOTRIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.FUSETTI,H.J.ROZEBOOM,B.W.DIJKSTRA . 365 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 1 2 0 0 3 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 3 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 . 1 0 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 22 A A 0 0 101 0, 0.0 332,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 134.3 74.4 26.5 24.7 2 23 A K E -a 333 0A 65 330,-3.1 332,-2.5 29,-0.1 2,-0.4 -0.594 360.0-165.7 -95.2 151.9 74.7 29.8 26.5 3 24 A L E -a 334 0A 6 -2,-0.2 29,-2.1 330,-0.2 28,-1.8 -0.895 16.9-169.3-132.0 98.6 77.6 31.3 28.4 4 25 A V E -ab 335 32A 0 330,-2.8 332,-2.5 -2,-0.4 2,-0.4 -0.846 5.2-169.5 -93.8 120.6 76.2 34.2 30.3 5 26 A a E -ab 336 33A 0 27,-3.1 29,-2.5 -2,-0.6 2,-0.4 -0.944 13.2-139.0-120.9 132.2 78.9 36.4 32.0 6 27 A Y E - b 0 34A 1 330,-2.4 333,-2.5 -2,-0.4 332,-0.4 -0.710 10.2-163.6 -92.2 130.0 78.4 39.2 34.5 7 28 A F E - b 0 35A 2 27,-2.6 29,-2.5 -2,-0.4 2,-0.4 -0.869 18.2-137.8-104.6 139.2 80.4 42.5 34.3 8 29 A T E > - b 0 36A 1 -2,-0.4 3,-0.9 27,-0.2 4,-0.3 -0.879 8.8-143.2-111.5 137.6 80.5 44.6 37.4 9 30 A N T 3 S+ 0 0 3 27,-3.0 3,-0.3 -2,-0.4 28,-0.2 0.698 99.9 44.5 -57.0 -31.2 80.1 48.4 37.7 10 31 A W T > S+ 0 0 94 26,-0.2 3,-1.9 1,-0.2 -1,-0.2 0.459 81.4 91.6-101.5 -3.2 82.6 48.7 40.6 11 32 A A G X S+ 0 0 0 -3,-0.9 9,-1.8 1,-0.3 3,-1.5 0.713 73.5 76.2 -64.8 -17.7 85.5 46.4 39.5 12 33 A Q G 3 S+ 0 0 4 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.698 90.9 56.0 -66.0 -17.3 87.0 49.5 37.9 13 34 A Y G < S+ 0 0 110 -3,-1.9 -1,-0.3 7,-0.1 -2,-0.2 0.461 75.8 114.7 -94.9 -3.9 88.0 50.6 41.4 14 35 A R S < S- 0 0 28 -3,-1.5 2,-0.1 4,-0.2 5,-0.1 -0.415 72.0-111.8 -63.0 145.1 90.0 47.5 42.3 15 36 A Q > - 0 0 51 258,-0.3 3,-1.6 257,-0.1 4,-0.2 -0.422 61.1 -23.7 -86.7 157.9 93.6 48.5 42.7 16 37 A G G > S+ 0 0 65 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 -0.153 129.5 0.3 52.0-130.3 96.7 47.8 40.6 17 38 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 330,-0.1 330,-0.1 0.754 127.6 64.1 -62.6 -25.7 96.5 44.6 38.5 18 39 A A G < S+ 0 0 0 -3,-1.6 -1,-0.3 -5,-0.1 -4,-0.2 0.611 72.0 121.1 -76.7 -13.1 93.0 43.8 39.6 19 40 A R < - 0 0 128 -3,-1.4 2,-0.4 -4,-0.2 -7,-0.2 -0.223 46.5-162.5 -53.2 136.7 91.4 46.9 38.1 20 41 A F + 0 0 0 -9,-1.8 -6,-0.1 -6,-0.1 -7,-0.1 -0.962 20.1 155.7-136.2 123.0 88.7 46.0 35.5 21 42 A L > - 0 0 27 -2,-0.4 3,-2.4 -10,-0.1 4,-0.1 -0.800 58.9 -89.0-130.7 170.3 87.1 48.1 32.8 22 43 A P G > S+ 0 0 6 0, 0.0 3,-2.5 0, 0.0 33,-0.0 0.811 120.7 69.6 -52.9 -32.6 85.4 47.1 29.5 23 44 A K G 3 S+ 0 0 164 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.749 93.2 61.7 -58.9 -19.3 88.7 47.2 27.7 24 45 A D G < S+ 0 0 35 -3,-2.4 -1,-0.3 2,-0.1 2,-0.2 0.334 82.8 105.8 -89.1 5.7 89.5 44.1 29.7 25 46 A L < - 0 0 9 -3,-2.5 3,-0.0 -4,-0.1 -18,-0.0 -0.563 65.6-139.0 -86.4 151.8 86.6 42.1 28.2 26 47 A D >> - 0 0 29 -2,-0.2 3,-1.1 1,-0.1 4,-0.6 -0.957 13.5-152.3-107.1 110.8 87.1 39.3 25.6 27 48 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.622 91.7 40.1 -61.8 -13.8 84.3 39.8 23.1 28 49 A S T 34 S+ 0 0 53 1,-0.1 -3,-0.0 41,-0.0 38,-0.0 0.458 90.5 89.0-112.8 -3.7 84.1 36.1 22.1 29 50 A L T <4 S+ 0 0 4 -3,-1.1 2,-0.2 2,-0.0 -1,-0.1 0.925 96.1 25.3 -58.3 -47.5 84.6 34.6 25.5 30 51 A a < - 0 0 5 -4,-0.6 -26,-0.2 1,-0.1 3,-0.1 -0.738 64.8-137.9-118.0 164.6 80.9 34.5 26.3 31 52 A T S S+ 0 0 53 -28,-1.8 39,-2.3 1,-0.3 2,-0.4 0.766 94.8 28.5 -90.0 -30.2 77.6 34.4 24.3 32 53 A H E -bc 4 70A 21 -29,-2.1 -27,-3.1 37,-0.2 2,-0.5 -0.998 65.6-162.2-135.4 133.2 75.9 37.0 26.6 33 54 A L E -bc 5 71A 3 37,-2.5 39,-2.3 -2,-0.4 2,-0.5 -0.957 8.2-162.3-114.1 129.7 77.4 39.9 28.6 34 55 A I E -bc 6 72A 0 -29,-2.5 -27,-2.6 -2,-0.5 2,-0.5 -0.954 11.2-142.9-118.8 116.2 75.3 41.4 31.4 35 56 A Y E -bc 7 73A 0 37,-2.6 39,-3.7 -2,-0.5 2,-0.4 -0.645 27.0-127.7 -78.3 119.0 76.3 44.8 32.8 36 57 A A E +bc 8 74A 0 -29,-2.5 -27,-3.0 -2,-0.5 -26,-0.2 -0.969 63.6 12.1-119.4 133.8 75.7 45.0 36.6 37 58 A F E + 0 0 26 37,-0.7 2,-0.3 -2,-0.4 38,-0.3 0.638 46.4 169.2-131.5 159.4 74.2 47.1 37.9 38 59 A A E - c 0 75A 1 36,-2.8 38,-2.0 -3,-0.2 9,-0.2 -0.735 25.9-148.5-103.6 156.5 71.8 49.9 36.8 39 60 A G E -I 46 0B 4 7,-3.5 7,-2.1 -2,-0.3 2,-0.3 -0.222 9.6-113.8-108.6-158.4 69.8 51.8 39.3 40 61 A M E -I 45 0B 4 5,-0.3 2,-0.4 -2,-0.1 5,-0.2 -0.992 20.5-177.7-147.1 133.0 66.4 53.5 39.4 41 62 A T E > S-I 44 0B 73 3,-2.7 3,-1.1 -2,-0.3 6,-0.0 -0.982 79.8 -14.7-133.7 119.8 65.4 57.2 39.8 42 63 A N T 3 S- 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.925 130.5 -51.7 51.3 50.5 61.7 58.3 39.9 43 64 A H T 3 S+ 0 0 50 1,-0.2 2,-0.4 41,-0.0 -1,-0.3 0.651 116.2 118.1 62.6 20.1 60.7 54.8 38.6 44 65 A Q E < S-I 41 0B 97 -3,-1.1 -3,-2.7 57,-0.1 -1,-0.2 -0.931 73.8-105.6-121.7 142.6 63.1 55.0 35.7 45 66 A L E +I 40 0B 7 -2,-0.4 2,-0.3 53,-0.4 -5,-0.3 -0.376 54.0 168.5 -59.5 133.7 66.1 53.0 34.8 46 67 A S E -I 39 0B 18 -7,-2.1 -7,-3.5 -2,-0.1 -1,-0.0 -0.964 34.2 -93.8-149.6 165.1 69.2 55.0 35.6 47 68 A T - 0 0 53 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.174 17.7-167.4 -74.6 169.5 73.0 54.9 35.9 48 69 A T S S+ 0 0 71 1,-0.3 2,-0.4 -11,-0.2 -1,-0.1 0.409 70.1 58.0-135.0 -10.9 74.9 54.3 39.2 49 70 A E S > S- 0 0 48 1,-0.1 3,-2.5 0, 0.0 4,-0.3 -0.986 83.9-119.6-127.9 139.4 78.5 55.3 38.3 50 71 A W T 3 S+ 0 0 202 -2,-0.4 3,-0.2 1,-0.3 4,-0.1 0.719 112.9 40.0 -44.8 -28.7 79.7 58.6 36.9 51 72 A N T 3> S+ 0 0 13 1,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.151 73.7 114.5-115.1 23.9 80.9 56.9 33.7 52 73 A D H <> S+ 0 0 1 -3,-2.5 4,-3.7 1,-0.2 5,-0.2 0.896 77.9 55.7 -59.6 -39.2 78.3 54.3 32.9 53 74 A E H > S+ 0 0 110 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.935 112.0 42.3 -59.6 -46.2 77.3 56.2 29.7 54 75 A T H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.938 117.8 46.7 -65.0 -46.1 80.9 56.0 28.4 55 76 A L H X S+ 0 0 4 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.875 106.2 59.0 -65.1 -36.3 81.3 52.4 29.6 56 77 A Y H X S+ 0 0 0 -4,-3.7 4,-2.9 -5,-0.2 5,-0.3 0.943 105.8 49.3 -56.7 -47.7 78.0 51.4 28.1 57 78 A Q H X S+ 0 0 134 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.917 113.7 45.1 -57.5 -47.8 79.2 52.5 24.7 58 79 A E H X S+ 0 0 82 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.944 113.8 51.1 -60.6 -49.7 82.5 50.5 25.1 59 80 A F H >< S+ 0 0 0 -4,-3.3 3,-1.0 1,-0.2 -2,-0.2 0.950 119.1 33.8 -51.3 -61.7 80.5 47.5 26.4 60 81 A N H >< S+ 0 0 6 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.672 103.6 76.5 -73.5 -15.4 78.0 47.3 23.6 61 82 A G H >< S+ 0 0 23 -4,-1.6 3,-1.9 -5,-0.3 4,-0.4 0.782 79.3 73.9 -65.4 -23.2 80.6 48.5 21.1 62 83 A L G XX S+ 0 0 20 -3,-1.0 3,-1.1 -4,-0.8 4,-0.8 0.753 78.8 73.9 -61.2 -24.6 82.1 45.0 21.2 63 84 A K G <4 S+ 0 0 38 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 85.0 65.5 -63.5 -20.2 79.1 43.8 19.1 64 85 A K G <4 S+ 0 0 191 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.846 106.6 41.2 -70.0 -32.0 80.7 45.5 16.1 65 86 A M T <4 S+ 0 0 132 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.555 133.2 23.3 -90.3 -9.8 83.6 43.0 16.3 66 87 A N >< - 0 0 37 -4,-0.8 3,-1.7 3,-0.1 -1,-0.3 -0.586 66.1-174.5-157.7 82.9 81.3 40.0 17.1 67 88 A P T 3 S+ 0 0 100 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.722 82.9 63.7 -53.6 -25.8 77.7 40.6 15.9 68 89 A K T 3 S+ 0 0 168 2,-0.1 -5,-0.1 -5,-0.0 2,-0.0 0.749 78.1 104.6 -73.9 -25.4 76.5 37.4 17.5 69 90 A L < - 0 0 2 -3,-1.7 2,-0.4 -7,-0.1 -37,-0.2 -0.330 59.7-152.7 -59.4 133.2 77.3 38.6 21.1 70 91 A K E -c 32 0A 56 -39,-2.3 -37,-2.5 -40,-0.0 2,-0.4 -0.933 8.7-164.8-114.2 132.5 74.3 39.6 23.1 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.9 -39,-0.2 42,-0.6 -0.923 7.1-179.1-119.0 143.5 74.3 42.2 25.9 72 93 A L E -cd 34 113A 0 -39,-2.3 -37,-2.6 -2,-0.4 2,-0.5 -0.888 23.5-129.0-132.0 160.4 71.8 43.0 28.6 73 94 A L E -cd 35 114A 0 40,-1.9 42,-2.5 -2,-0.3 2,-0.6 -0.972 20.9-142.6-113.6 129.0 71.8 45.6 31.4 74 95 A A E -cd 36 115A 0 -39,-3.7 -36,-2.8 -2,-0.5 -37,-0.7 -0.832 11.6-161.5 -97.8 119.1 71.1 44.3 34.9 75 96 A I E +cd 38 116A 0 40,-2.1 42,-2.7 -2,-0.6 2,-0.5 -0.791 58.3 16.3 -97.1 137.1 69.0 46.5 37.3 76 97 A G E + d 0 117A 4 -38,-2.0 4,-0.3 -2,-0.4 42,-0.2 -0.918 56.9 173.8 115.5-130.9 69.1 45.9 41.0 77 98 A G > - 0 0 0 40,-3.3 4,-0.7 -2,-0.5 42,-0.5 -0.399 54.9 -67.6 102.9 174.7 71.7 43.9 42.9 78 99 A W T >4 S+ 0 0 128 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.967 129.0 48.1 -69.3 -54.6 72.1 43.5 46.7 79 100 A N T 34 S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.892 101.4 67.8 -53.7 -42.4 73.1 47.1 47.7 80 101 A F T 34 S- 0 0 50 -4,-0.3 4,-0.3 1,-0.1 -1,-0.2 0.800 91.5-158.9 -48.8 -38.2 70.2 48.5 45.6 81 102 A G << - 0 0 26 -3,-1.2 38,-0.4 -4,-0.7 4,-0.1 -0.234 23.7 -85.6 86.4-174.8 67.6 47.0 48.0 82 103 A T S >> S+ 0 0 10 42,-0.4 4,-2.9 36,-0.1 3,-0.7 0.706 98.6 83.8-108.8 -27.5 63.9 46.3 47.5 83 104 A Q H 3> S+ 0 0 106 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.872 91.1 49.5 -48.8 -50.0 61.9 49.5 48.2 84 105 A K H 3> S+ 0 0 107 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.838 114.3 46.2 -62.2 -32.8 62.3 51.1 44.7 85 106 A F H <> S+ 0 0 1 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.940 112.7 52.5 -70.0 -46.7 61.2 47.9 43.1 86 107 A T H < S+ 0 0 10 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.907 112.9 40.8 -53.8 -52.3 58.3 47.7 45.5 87 108 A D H >< S+ 0 0 80 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.849 112.9 56.0 -69.4 -33.9 57.0 51.2 45.0 88 109 A M H >< S+ 0 0 0 -4,-1.5 3,-0.7 -5,-0.3 -2,-0.2 0.906 108.9 44.5 -65.8 -41.6 57.5 51.0 41.2 89 110 A V T 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.456 91.5 86.1 -84.3 0.2 55.4 47.8 40.7 90 111 A A T < S+ 0 0 48 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.2 0.753 93.9 36.9 -72.2 -25.6 52.6 49.0 43.0 91 112 A T S <> S- 0 0 58 -3,-0.7 4,-2.3 -4,-0.4 5,-0.2 -0.953 70.9-134.2-130.2 150.6 50.8 50.9 40.2 92 113 A A H > S+ 0 0 61 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.818 109.1 58.6 -67.2 -29.2 50.3 50.3 36.5 93 114 A N H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 109.4 40.3 -67.8 -42.4 51.3 54.0 36.0 94 115 A N H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.879 114.1 53.9 -74.9 -38.2 54.7 53.6 37.5 95 116 A R H X S+ 0 0 41 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.953 109.7 47.6 -60.5 -45.4 55.2 50.2 35.9 96 117 A Q H X S+ 0 0 86 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.886 110.2 53.3 -63.9 -34.1 54.5 51.7 32.5 97 118 A T H X S+ 0 0 45 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.957 112.6 44.1 -63.1 -47.6 56.9 54.6 33.4 98 119 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -53,-0.4 0.901 113.8 49.8 -63.0 -43.6 59.6 52.0 34.2 99 120 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.947 111.9 47.6 -61.8 -48.7 58.9 49.9 31.1 100 121 A N H X S+ 0 0 89 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.897 112.7 48.2 -62.6 -38.7 59.0 52.9 28.8 101 122 A S H X S+ 0 0 14 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.914 109.2 54.1 -68.5 -39.4 62.2 54.2 30.3 102 123 A A H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.957 109.1 48.6 -57.5 -51.7 63.8 50.8 30.1 103 124 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.935 115.9 42.1 -53.0 -53.1 63.0 50.6 26.4 104 125 A R H X S+ 0 0 193 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.926 117.2 48.5 -61.2 -45.7 64.4 54.1 25.6 105 126 A F H X S+ 0 0 26 -4,-3.4 4,-2.0 2,-0.2 5,-0.2 0.960 113.3 45.6 -58.4 -57.7 67.4 53.5 27.8 106 127 A L H X>S+ 0 0 0 -4,-3.5 5,-2.6 -5,-0.2 4,-1.0 0.941 116.7 43.6 -54.2 -53.2 68.3 50.1 26.4 107 128 A R H <5S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.836 110.0 59.3 -63.2 -32.3 67.9 51.2 22.7 108 129 A K H <5S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.890 115.9 30.9 -63.5 -43.1 69.7 54.4 23.5 109 130 A Y H <5S- 0 0 35 -4,-2.0 -1,-0.2 -3,-0.2 -49,-0.2 0.419 115.5-110.0 -98.2 1.5 72.9 52.7 24.6 110 131 A S T <5 + 0 0 67 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.901 58.2 159.0 72.5 45.6 72.5 49.6 22.4 111 132 A F < - 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0 0 8 -3,-3.3 -1,-0.3 -6,-0.3 -43,-0.0 -0.670 62.1-117.6 -81.5 127.6 59.7 43.4 50.3 127 148 A P > - 0 0 57 0, 0.0 3,-2.4 0, 0.0 -5,-0.5 -0.264 20.0-116.3 -62.3 149.1 56.0 42.6 51.1 128 149 A A T > S+ 0 0 81 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.680 112.7 72.4 -61.6 -17.5 54.7 39.1 50.1 129 150 A V T >> S+ 0 0 72 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.735 81.0 74.3 -69.1 -19.8 52.3 40.9 47.7 130 151 A D H <> S+ 0 0 0 -3,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.604 77.9 77.0 -67.9 -11.6 55.4 41.5 45.6 131 152 A K H <> S+ 0 0 69 -3,-1.5 4,-1.2 2,-0.2 44,-0.4 0.957 104.8 30.8 -64.0 -51.6 55.4 37.9 44.6 132 153 A E H <> S+ 0 0 122 -3,-0.6 4,-2.5 -4,-0.4 -2,-0.2 0.860 116.7 58.1 -76.2 -33.8 52.5 38.4 42.1 133 154 A R H X S+ 0 0 98 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.845 102.8 54.9 -65.8 -29.7 53.5 41.9 41.3 134 155 A F H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.931 107.1 50.4 -66.2 -43.4 56.9 40.7 40.2 135 156 A T H X S+ 0 0 16 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.936 110.7 49.4 -57.7 -45.7 55.1 38.3 37.8 136 157 A T H X S+ 0 0 46 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.855 109.1 52.1 -62.8 -35.9 53.1 41.3 36.6 137 158 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.948 109.5 49.6 -63.6 -49.5 56.3 43.2 36.1 138 159 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.905 113.0 47.3 -55.1 -44.6 57.8 40.4 34.1 139 160 A Q H X S+ 0 0 90 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.911 110.1 51.2 -65.0 -47.3 54.6 40.2 31.9 140 161 A D H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.918 111.9 47.4 -57.4 -45.2 54.5 44.0 31.3 141 162 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.898 113.5 48.9 -62.0 -42.1 58.1 44.0 30.2 142 163 A A H X S+ 0 0 18 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.953 113.2 45.5 -64.3 -50.6 57.5 41.0 27.9 143 164 A N H X S+ 0 0 85 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.956 115.0 47.5 -57.8 -50.9 54.4 42.5 26.4 144 165 A A H X S+ 0 0 16 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.909 111.9 49.6 -57.3 -44.9 56.0 45.9 25.9 145 166 A F H X S+ 0 0 1 -4,-2.5 4,-1.2 -5,-0.2 12,-0.3 0.870 108.2 55.8 -62.6 -36.3 59.2 44.3 24.4 146 167 A Q H X S+ 0 0 100 -4,-2.3 4,-0.7 -5,-0.2 3,-0.3 0.951 113.3 39.3 -58.8 -51.4 56.9 42.3 22.0 147 168 A Q H >X S+ 0 0 108 -4,-2.2 4,-2.0 1,-0.2 3,-1.1 0.907 108.6 60.3 -67.1 -44.5 55.2 45.4 20.7 148 169 A E H 3X S+ 0 0 18 -4,-2.8 4,-1.5 1,-0.3 6,-0.4 0.793 96.0 65.1 -56.1 -28.6 58.4 47.5 20.5 149 170 A A H 3X S+ 0 0 21 -4,-1.2 4,-1.9 -3,-0.3 5,-0.4 0.875 107.4 38.5 -63.4 -39.7 59.9 44.9 18.1 150 171 A Q H << S+ 0 0 136 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.874 115.5 52.4 -79.0 -38.4 57.3 45.7 15.4 151 172 A T H < S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.707 123.5 29.0 -70.0 -21.3 57.3 49.5 16.1 152 173 A S H < S- 0 0 48 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.698 91.9-134.7-110.7 -28.0 61.1 49.6 15.8 153 174 A G < + 0 0 68 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.691 65.9 121.1 78.8 15.6 62.0 46.8 13.4 154 175 A K S S- 0 0 116 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.2 -0.646 77.4 -74.7-106.1 168.3 64.8 45.8 15.7 155 176 A E - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.373 63.9 -93.2 -60.9 136.2 65.4 42.4 17.4 156 177 A R - 0 0 92 1,-0.1 -1,-0.1 -2,-0.1 -10,-0.1 -0.284 47.3-106.4 -53.0 128.1 63.0 42.0 20.3 157 178 A L - 0 0 1 -12,-0.3 -44,-0.3 -3,-0.1 2,-0.2 -0.274 38.1-119.8 -56.3 141.9 64.7 43.1 23.5 158 179 A L E -e 113 0A 29 -46,-3.1 -44,-2.9 -87,-0.2 2,-0.4 -0.504 21.7-157.6 -86.6 153.9 65.7 40.2 25.7 159 180 A L E +e 114 0A 1 -46,-0.2 25,-2.4 -2,-0.2 26,-0.9 -0.985 22.0 153.5-135.8 123.2 64.4 39.7 29.3 160 181 A S E -ef 115 185A 0 -46,-2.3 -44,-2.4 -2,-0.4 2,-0.3 -0.848 23.4-148.2-137.4 174.9 66.1 37.6 31.9 161 182 A A E -ef 116 186A 1 24,-1.0 26,-1.6 -2,-0.3 2,-0.6 -0.985 15.3-132.1-151.8 138.8 66.3 37.5 35.7 162 183 A A E - f 0 187A 4 -46,-2.2 26,-0.2 -2,-0.3 -44,-0.1 -0.822 37.5-166.1 -89.9 123.1 68.9 36.5 38.2 163 184 A V E - f 0 188A 0 24,-2.0 26,-2.8 -2,-0.6 -44,-0.1 -0.865 17.4-115.4-119.5 149.4 67.2 34.2 40.7 164 185 A P - 0 0 4 0, 0.0 26,-0.1 0, 0.0 -1,-0.0 -0.282 10.7-146.1 -73.9 161.9 68.0 32.8 44.2 165 186 A A + 0 0 10 24,-0.4 25,-0.1 26,-0.2 63,-0.1 0.842 65.7 101.1 -95.0 -42.8 68.6 29.1 44.9 166 187 A G > - 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