==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-03 1HKM . COMPND 2 MOLECULE: CHITOTRIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,S.SAKUDA, . 365 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 26.6 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 0 2 1 1 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 2 4 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 . 2 1 3 2 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 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 97 0, 0.0 2,-0.2 0, 0.0 332,-0.2 0.000 360.0 360.0 360.0 148.8 20.1 66.3 19.4 2 23 A K E -a 333 0A 63 330,-2.9 332,-2.5 29,-0.1 2,-0.4 -0.601 360.0-169.9 -90.2 149.1 16.8 66.2 17.6 3 24 A L E -a 334 0A 5 -2,-0.2 29,-1.8 330,-0.2 28,-1.5 -0.844 14.6-170.5-137.4 93.0 15.4 63.4 15.5 4 25 A V E -ab 335 32A 0 330,-2.6 332,-2.5 -2,-0.4 2,-0.4 -0.812 6.1-172.3 -90.8 113.0 12.3 64.8 13.8 5 26 A a E -ab 336 33A 0 27,-2.8 29,-2.6 -2,-0.6 2,-0.5 -0.916 14.7-136.4-115.1 137.2 10.3 62.1 12.1 6 27 A Y E -ab 337 34A 2 330,-2.2 333,-1.9 -2,-0.4 334,-0.7 -0.769 11.1-164.9 -96.0 129.9 7.3 62.5 9.7 7 28 A F E - b 0 35A 1 27,-2.8 29,-2.8 -2,-0.5 2,-0.4 -0.785 12.8-150.3-101.6 146.3 4.2 60.4 9.9 8 29 A T E > - b 0 36A 1 -2,-0.3 3,-1.4 27,-0.2 4,-0.3 -0.988 10.7-145.9-126.3 128.5 1.9 60.5 6.9 9 30 A N T 3 S+ 0 0 2 27,-3.3 28,-0.1 -2,-0.4 46,-0.0 0.170 94.9 57.8 -77.2 19.5 -1.9 60.1 7.2 10 31 A W T > S+ 0 0 97 26,-0.2 3,-1.2 2,-0.1 -1,-0.2 0.335 80.1 82.8-123.9 -2.9 -2.3 58.3 3.8 11 32 A A G X S+ 0 0 0 -3,-1.4 3,-1.7 1,-0.3 9,-1.3 0.734 76.9 76.9 -71.6 -20.7 0.1 55.5 4.5 12 33 A Q G 3 S+ 0 0 2 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.684 88.4 57.2 -61.6 -19.6 -2.9 53.9 6.2 13 34 A Y G < S+ 0 0 98 -3,-1.2 -1,-0.3 5,-0.1 -2,-0.2 0.478 79.0 112.3 -94.0 -3.4 -4.3 53.1 2.8 14 35 A R S < S- 0 0 37 -3,-1.7 2,-0.2 4,-0.2 5,-0.1 -0.274 73.4-101.4 -66.4 158.8 -1.4 51.0 1.5 15 36 A Q > - 0 0 133 258,-0.3 3,-1.8 3,-0.1 4,-0.1 -0.528 67.9 -31.2 -87.4 147.5 -2.0 47.3 1.0 16 37 A G G > S+ 0 0 55 1,-0.3 3,-2.2 -2,-0.2 -2,-0.0 -0.121 127.5 0.0 54.4-138.0 -0.9 44.5 3.4 17 38 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 330,-0.1 330,-0.1 0.567 126.3 69.1 -61.9 -8.9 2.2 44.8 5.5 18 39 A A G < S+ 0 0 0 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.2 0.664 72.5 109.9 -84.8 -18.0 2.7 48.2 3.9 19 40 A R < - 0 0 116 -3,-2.2 2,-0.4 -4,-0.1 -7,-0.3 -0.360 53.2-163.4 -61.4 133.9 -0.3 49.7 5.7 20 41 A F + 0 0 0 -9,-1.3 -6,-0.1 -12,-0.1 -9,-0.1 -0.976 18.0 159.1-130.2 124.8 0.7 52.2 8.4 21 42 A L > - 0 0 20 -2,-0.4 3,-2.4 -10,-0.1 4,-0.2 -0.790 58.4 -87.4-129.3 170.8 -1.3 53.5 11.3 22 43 A P G > S+ 0 0 3 0, 0.0 3,-2.0 0, 0.0 33,-0.0 0.801 121.3 68.5 -53.2 -27.8 -0.3 55.2 14.6 23 44 A K G 3 S+ 0 0 151 1,-0.3 -3,-0.0 3,-0.0 36,-0.0 0.678 92.6 59.8 -64.5 -17.4 -0.1 51.7 16.3 24 45 A D G < S+ 0 0 36 -3,-2.4 -1,-0.3 2,-0.1 2,-0.2 0.438 87.6 104.5 -89.9 0.3 3.0 51.1 14.1 25 46 A L < - 0 0 8 -3,-2.0 3,-0.0 -4,-0.2 -18,-0.0 -0.528 66.7-142.0 -82.0 147.0 4.6 54.1 15.7 26 47 A D >> - 0 0 29 -2,-0.2 3,-1.0 1,-0.1 4,-0.5 -0.955 7.2-151.2-109.6 112.4 7.4 53.7 18.3 27 48 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.747 93.4 42.9 -55.5 -25.6 6.9 56.4 20.9 28 49 A S T 34 S+ 0 0 50 1,-0.1 -3,-0.0 41,-0.0 38,-0.0 0.534 87.2 86.5-101.3 -8.4 10.7 56.5 21.7 29 50 A L T <4 S+ 0 0 2 -3,-1.0 2,-0.3 2,-0.0 -1,-0.1 0.901 95.6 30.0 -60.8 -42.5 12.3 56.3 18.2 30 51 A a < - 0 0 7 -4,-0.5 -26,-0.2 1,-0.1 3,-0.1 -0.778 63.1-139.8-120.6 162.2 12.3 60.1 17.7 31 52 A T S S+ 0 0 52 -28,-1.5 39,-1.9 1,-0.3 2,-0.4 0.790 96.0 27.4 -84.3 -34.3 12.4 63.3 19.7 32 53 A H E -bc 4 70A 19 -29,-1.8 -27,-2.8 37,-0.2 2,-0.5 -0.997 67.3-160.4-134.4 130.7 9.8 65.0 17.6 33 54 A L E -bc 5 71A 3 37,-2.5 39,-2.4 -2,-0.4 2,-0.5 -0.940 8.5-161.3-112.8 129.5 6.9 63.5 15.5 34 55 A I E -bc 6 72A 0 -29,-2.6 -27,-2.8 -2,-0.5 2,-0.7 -0.951 11.4-140.1-116.5 125.5 5.3 65.5 12.8 35 56 A Y E -bc 7 73A 0 37,-3.0 39,-2.5 -2,-0.5 2,-0.5 -0.725 24.3-130.8 -88.2 110.5 1.9 64.7 11.4 36 57 A A E +bc 8 74A 0 -29,-2.8 -27,-3.3 -2,-0.7 -26,-0.2 -0.910 65.0 14.7-106.4 128.3 1.6 65.1 7.6 37 58 A F E + 0 0 29 37,-0.5 2,-0.4 -2,-0.5 -1,-0.2 0.666 45.4 158.6-136.5 162.8 -0.6 66.6 6.4 38 59 A A E - c 0 75A 1 36,-2.2 38,-1.5 -3,-0.2 9,-0.2 -0.930 28.3-155.6-118.0 143.8 -3.3 68.9 7.5 39 60 A G E -I 46 0B 6 7,-1.7 7,-1.6 -2,-0.4 2,-0.3 -0.017 13.6-103.6-101.4-152.7 -5.0 71.2 4.9 40 61 A M E +I 45 0B 5 5,-0.2 2,-0.4 7,-0.1 5,-0.2 -0.995 23.9 179.2-145.1 135.4 -6.9 74.5 4.9 41 62 A T E > S-I 44 0B 74 3,-2.1 3,-0.6 -2,-0.3 -2,-0.0 -0.972 79.2 -12.0-137.7 117.0 -10.5 75.5 4.6 42 63 A N T 3 S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.967 129.8 -52.2 56.3 55.7 -11.6 79.1 4.7 43 64 A H T 3 S+ 0 0 49 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.699 117.7 112.6 56.7 21.5 -8.2 80.3 5.9 44 65 A Q E < S-I 41 0B 84 -3,-0.6 -3,-2.1 57,-0.1 2,-0.2 -0.898 75.3-102.0-127.2 157.6 -8.3 77.7 8.8 45 66 A L E +I 40 0B 7 53,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.540 52.1 166.5 -72.8 133.9 -6.4 74.6 9.7 46 67 A S E -I 39 0B 25 -7,-1.6 -7,-1.7 -2,-0.2 56,-0.0 -0.961 34.9 -95.7-147.5 165.4 -8.4 71.5 8.9 47 68 A T - 0 0 57 -2,-0.3 -8,-0.2 -9,-0.2 -9,-0.1 -0.068 17.7-163.6 -73.0 177.4 -8.2 67.7 8.6 48 69 A T + 0 0 60 1,-0.2 2,-0.3 -11,-0.1 -1,-0.1 0.347 68.5 57.4-142.6 -4.5 -7.7 65.8 5.3 49 70 A E S > S- 0 0 49 1,-0.0 3,-1.8 0, 0.0 4,-0.3 -0.964 84.4-115.6-131.8 150.5 -8.7 62.2 6.2 50 71 A W T 3 S+ 0 0 199 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.681 115.4 38.9 -57.3 -18.0 -12.0 60.9 7.5 51 72 A N T 3> S+ 0 0 12 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.078 71.7 120.3-124.4 28.4 -10.2 59.8 10.7 52 73 A D H <> S+ 0 0 1 -3,-1.8 4,-4.1 1,-0.2 5,-0.2 0.888 76.8 55.2 -60.8 -37.6 -7.8 62.5 11.5 53 74 A E H > S+ 0 0 105 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.893 110.8 45.2 -63.0 -37.9 -9.3 63.2 14.9 54 75 A T H > S+ 0 0 78 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.923 117.3 44.6 -70.0 -42.2 -8.9 59.5 15.9 55 76 A L H X S+ 0 0 1 -4,-2.4 4,-3.6 2,-0.2 5,-0.2 0.934 108.6 56.9 -66.7 -46.2 -5.4 59.5 14.5 56 77 A Y H X S+ 0 0 0 -4,-4.1 4,-2.9 1,-0.2 5,-0.3 0.914 109.5 47.3 -49.4 -46.8 -4.6 62.8 16.1 57 78 A Q H X S+ 0 0 139 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.880 115.1 42.6 -65.2 -42.8 -5.6 61.3 19.5 58 79 A E H X S+ 0 0 84 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.898 114.9 53.2 -69.3 -41.3 -3.6 58.1 19.1 59 80 A F H >< S+ 0 0 0 -4,-3.6 3,-0.8 1,-0.2 -2,-0.2 0.962 119.0 32.6 -57.0 -56.7 -0.7 60.1 17.7 60 81 A N H >< S+ 0 0 9 -4,-2.9 3,-1.9 -5,-0.2 -1,-0.2 0.736 106.2 71.3 -76.3 -21.9 -0.5 62.5 20.6 61 82 A G H >< S+ 0 0 16 -4,-1.8 3,-2.2 1,-0.3 4,-0.4 0.740 80.4 79.3 -64.6 -19.8 -1.6 59.8 23.1 62 83 A L G XX S+ 0 0 14 -3,-0.8 3,-1.1 -4,-0.8 4,-0.9 0.729 77.2 71.3 -59.4 -21.8 1.8 58.4 22.5 63 84 A K G <4 S+ 0 0 37 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.567 83.7 67.9 -72.7 -8.4 3.1 61.1 24.9 64 85 A K G <4 S+ 0 0 169 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.776 107.5 39.2 -79.0 -26.4 1.5 59.2 27.8 65 86 A M T <4 S+ 0 0 133 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.639 134.9 23.1 -94.7 -17.0 4.1 56.5 27.1 66 87 A N >< - 0 0 35 -4,-0.9 3,-1.7 3,-0.1 -1,-0.3 -0.611 62.1-179.4-152.7 85.9 6.8 59.1 26.4 67 88 A P T 3 S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.485 82.5 65.7 -62.4 -7.0 6.2 62.5 28.0 68 89 A K T 3 S+ 0 0 180 2,-0.0 -5,-0.1 -36,-0.0 2,-0.1 0.698 79.6 101.9 -90.3 -19.4 9.5 63.7 26.4 69 90 A L < - 0 0 2 -3,-1.7 2,-0.5 -7,-0.1 -37,-0.2 -0.339 59.5-153.7 -65.9 139.4 8.1 63.4 22.9 70 91 A K E -c 32 0A 40 -39,-1.9 -37,-2.5 -2,-0.1 2,-0.3 -0.974 8.5-161.1-117.8 127.6 7.0 66.6 21.1 71 92 A T E -c 33 0A 0 -2,-0.5 41,-2.0 -39,-0.2 42,-0.6 -0.829 8.2-176.3-109.7 148.2 4.4 66.3 18.3 72 93 A L E -cd 34 113A 0 -39,-2.4 -37,-3.0 -2,-0.3 2,-0.5 -0.958 22.0-129.8-138.7 157.1 3.7 68.9 15.6 73 94 A L E -cd 35 114A 0 40,-2.4 42,-2.9 -2,-0.3 2,-0.5 -0.943 20.6-146.4-111.4 126.5 1.1 69.2 12.8 74 95 A A E -cd 36 115A 0 -39,-2.5 -36,-2.2 -2,-0.5 -37,-0.5 -0.802 9.4-159.7 -96.0 129.7 2.4 69.9 9.3 75 96 A I E +cd 38 116A 0 40,-2.0 42,-2.3 -2,-0.5 2,-0.5 -0.910 57.3 7.9-108.6 136.0 0.3 72.1 7.0 76 97 A G E - d 0 117A 6 -38,-1.5 42,-0.2 -2,-0.4 2,-0.1 -0.885 59.9-173.7 111.6-130.1 0.8 72.0 3.2 77 98 A G >> - 0 0 2 40,-3.0 3,-1.1 -2,-0.5 4,-0.8 -0.330 49.6 -67.5 111.1 166.2 3.0 69.7 1.3 78 99 A W G >4 S+ 0 0 136 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.970 132.2 44.4 -53.9 -60.2 4.1 69.4 -2.3 79 100 A N G 34 S+ 0 0 153 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.457 97.0 79.5 -66.6 -0.8 0.7 68.5 -3.7 80 101 A F G <4 S- 0 0 56 -3,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.930 85.8-152.1 -73.2 -44.9 -1.0 71.2 -1.6 81 102 A G << - 0 0 30 -3,-0.9 38,-0.5 -4,-0.8 -1,-0.2 -0.505 21.1 -93.0 102.4-173.2 -0.1 74.0 -3.9 82 103 A T S >> S+ 0 0 10 42,-0.3 4,-2.5 -2,-0.2 3,-1.0 0.653 96.4 88.2-113.9 -27.7 0.5 77.7 -3.2 83 104 A Q H 3> S+ 0 0 169 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.877 91.4 42.4 -37.6 -70.5 -3.0 79.2 -3.9 84 105 A K H 3> S+ 0 0 111 -4,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.698 115.6 51.1 -56.3 -25.1 -4.5 78.9 -0.4 85 106 A F H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.951 110.6 46.2 -75.9 -53.1 -1.3 80.0 1.3 86 107 A T H < S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.2 4,-0.2 0.823 116.5 47.0 -56.7 -36.5 -0.9 83.2 -0.8 87 108 A D H < S+ 0 0 88 -4,-2.2 4,-0.5 -5,-0.3 3,-0.3 0.803 110.6 51.3 -77.2 -32.9 -4.5 84.0 -0.2 88 109 A M H < S+ 0 0 0 -4,-1.1 3,-0.3 -5,-0.2 -2,-0.2 0.836 113.4 43.6 -74.7 -32.8 -4.4 83.3 3.5 89 110 A V S < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.417 93.6 86.0 -92.5 2.3 -1.4 85.5 4.1 90 111 A A S S+ 0 0 31 -3,-0.3 2,-0.4 -5,-0.2 -1,-0.2 0.876 93.0 34.8 -69.5 -40.8 -2.8 88.3 1.9 91 112 A T S >> S- 0 0 65 -4,-0.5 4,-2.7 -3,-0.3 3,-0.9 -0.944 72.0-132.0-123.9 142.6 -4.9 90.0 4.6 92 113 A A H 3> S+ 0 0 57 -2,-0.4 4,-3.4 1,-0.3 5,-0.3 0.924 111.1 57.0 -49.2 -51.4 -4.4 90.5 8.3 93 114 A N H 3> S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.824 110.9 44.1 -51.0 -36.5 -7.9 89.3 8.9 94 115 A N H <> S+ 0 0 18 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.929 112.9 48.5 -76.3 -48.9 -7.0 86.1 7.1 95 116 A R H X S+ 0 0 49 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.948 114.9 47.0 -55.1 -49.3 -3.6 85.6 8.8 96 117 A Q H X S+ 0 0 128 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.817 110.0 53.2 -62.8 -32.4 -5.3 86.2 12.2 97 118 A T H X S+ 0 0 48 -4,-1.1 4,-1.2 -5,-0.3 -1,-0.2 0.893 113.3 44.0 -69.0 -40.5 -8.1 83.8 11.3 98 119 A F H X S+ 0 0 0 -4,-2.5 4,-3.3 -10,-0.2 -53,-0.4 0.957 112.8 50.4 -67.2 -54.1 -5.6 81.1 10.5 99 120 A V H X S+ 0 0 6 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.927 111.1 48.2 -50.1 -55.0 -3.4 81.7 13.5 100 121 A N H X S+ 0 0 91 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.829 114.5 46.9 -58.8 -33.8 -6.3 81.6 16.0 101 122 A S H X S+ 0 0 14 -4,-1.2 4,-2.9 -3,-0.2 5,-0.3 0.892 109.7 53.8 -75.5 -39.1 -7.5 78.4 14.3 102 123 A A H X S+ 0 0 0 -4,-3.3 4,-3.8 2,-0.2 5,-0.3 0.983 112.5 43.9 -55.3 -59.3 -4.0 76.9 14.4 103 124 A I H X S+ 0 0 25 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.956 117.6 43.5 -49.5 -62.4 -3.7 77.5 18.1 104 125 A R H X S+ 0 0 171 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.825 117.3 48.3 -55.7 -33.7 -7.2 76.3 19.0 105 126 A F H X S+ 0 0 27 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.947 112.8 45.9 -71.3 -50.9 -6.8 73.3 16.6 106 127 A L H X>S+ 0 0 0 -4,-3.8 5,-3.2 -5,-0.3 4,-0.7 0.920 116.6 45.3 -59.5 -45.8 -3.3 72.3 18.0 107 128 A R H ><5S+ 0 0 45 -4,-2.8 3,-1.0 -5,-0.3 -1,-0.2 0.936 109.2 54.9 -65.3 -46.4 -4.5 72.6 21.6 108 129 A K H 3<5S+ 0 0 116 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.899 118.1 35.0 -54.2 -43.4 -7.8 70.8 21.1 109 130 A Y H 3<5S- 0 0 36 -4,-2.1 -1,-0.3 -5,-0.1 -49,-0.2 0.415 114.9-111.3 -94.4 1.8 -5.9 67.8 19.6 110 131 A S T <<5 + 0 0 70 -3,-1.0 2,-0.3 -4,-0.7 -3,-0.2 0.831 58.2 157.6 74.0 36.3 -2.8 68.0 21.9 111 132 A F < - 0 0 1 -5,-3.2 -1,-0.2 -6,-0.2 -39,-0.2 -0.699 35.6-150.7 -89.7 144.1 -0.3 69.0 19.3 112 133 A D - 0 0 18 -41,-2.0 46,-2.3 -2,-0.3 2,-0.3 0.611 68.6 -16.4 -90.3 -12.5 2.8 70.7 20.6 113 134 A G E -de 72 158A 0 -42,-0.6 -40,-2.4 44,-0.3 2,-0.4 -0.982 61.5 -99.2-172.3-178.0 3.5 72.7 17.5 114 135 A L E -de 73 159A 0 44,-2.8 46,-2.5 -2,-0.3 2,-0.7 -0.980 17.4-156.7-127.6 132.4 3.0 73.5 13.9 115 136 A D E -de 74 160A 0 -42,-2.9 -40,-2.0 -2,-0.4 2,-0.4 -0.915 16.6-145.2-110.7 109.4 5.3 72.7 11.0 116 137 A L E +de 75 161A 2 44,-3.4 46,-2.7 -2,-0.7 2,-0.2 -0.596 21.2 175.0 -76.0 126.7 4.8 75.0 8.0 117 138 A D E +d 76 0A 4 -42,-2.3 -40,-3.0 -2,-0.4 2,-0.7 -0.625 9.8 160.9-134.2 72.5 5.2 73.2 4.6 118 139 A W - 0 0 4 44,-0.3 2,-0.7 -42,-0.2 -36,-0.1 -0.865 37.0-135.3 -95.3 114.1 4.4 75.8 1.9 119 140 A E S S- 0 0 16 -2,-0.7 -38,-0.2 -42,-0.5 44,-0.0 -0.745 78.1 -22.4-114.5 89.5 5.9 74.6 -1.3 120 141 A Y > - 0 0 29 -2,-0.7 3,-1.4 -38,-0.1 2,-0.4 0.633 50.6-156.9-143.2 154.9 6.9 77.1 -2.0 121 142 A P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.564 96.6 29.8 -69.7 123.2 6.4 80.8 -1.2 122 143 A G T 3 S+ 0 0 11 -2,-0.4 2,-0.3 1,-0.3 6,-0.2 0.530 120.7 34.8 107.4 7.8 7.9 82.7 -4.2 123 144 A S S < S+ 0 0 25 -3,-1.4 -1,-0.3 4,-0.1 3,-0.0 -0.971 77.9 64.8-172.4 178.1 7.4 80.2 -7.0 124 145 A Q S S- 0 0 100 -2,-0.3 -42,-0.3 1,-0.2 -1,-0.1 0.847 139.8 -32.3 59.9 34.2 5.1 77.5 -8.4 125 146 A G S S+ 0 0 72 1,-0.3 -1,-0.2 -43,-0.1 -5,-0.0 0.503 112.3 128.0 100.5 6.0 2.5 80.2 -8.9 126 147 A S - 0 0 10 -6,-0.2 -1,-0.3 2,-0.0 2,-0.1 -0.865 59.1-127.0-101.5 123.8 3.6 82.3 -5.9 127 148 A P > - 0 0 61 0, 0.0 3,-3.1 0, 0.0 4,-0.2 -0.422 25.7-113.4 -65.7 138.7 4.3 86.0 -6.5 128 149 A A T > S+ 0 0 78 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.633 114.3 74.4 -50.2 -12.6 7.7 87.1 -5.3 129 150 A V T >> S+ 0 0 66 1,-0.2 3,-1.8 2,-0.2 4,-1.4 0.867 80.5 70.3 -68.8 -33.2 5.7 89.2 -2.8 130 151 A D H <> S+ 0 0 0 -3,-3.1 4,-1.2 1,-0.3 -1,-0.2 0.549 80.7 77.6 -60.3 -7.8 5.0 86.0 -0.9 131 152 A K H <> S+ 0 0 50 -3,-1.2 4,-0.9 -4,-0.2 44,-0.4 0.885 105.9 29.4 -69.9 -37.3 8.6 86.0 0.1 132 153 A E H <> S+ 0 0 113 -3,-1.8 4,-1.7 -4,-0.3 -2,-0.2 0.690 115.1 60.7 -94.8 -22.7 8.0 88.7 2.7 133 154 A R H X S+ 0 0 81 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.794 103.2 54.1 -72.9 -26.8 4.4 87.7 3.4 134 155 A F H X S+ 0 0 3 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.950 105.9 51.2 -68.8 -49.7 5.8 84.3 4.5 135 156 A T H X S+ 0 0 7 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.874 110.1 49.9 -54.4 -40.3 8.1 86.0 6.9 136 157 A T H X S+ 0 0 52 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.915 108.1 53.1 -66.0 -42.9 5.2 87.9 8.3 137 158 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.922 109.8 49.2 -57.1 -46.8 3.2 84.7 8.7 138 159 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.959 112.0 46.9 -58.9 -53.4 6.0 83.2 10.6 139 160 A Q H X S+ 0 0 84 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.895 111.2 53.0 -56.9 -40.8 6.3 86.2 12.9 140 161 A D H X S+ 0 0 54 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.921 112.1 44.1 -60.4 -46.4 2.6 86.2 13.5 141 162 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.926 114.4 49.3 -63.2 -48.4 2.5 82.6 14.5 142 163 A A H X S+ 0 0 14 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.924 114.0 46.2 -56.7 -48.5 5.6 83.0 16.7 143 164 A N H X S+ 0 0 90 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.915 114.8 45.2 -62.6 -47.4 4.1 86.0 18.4 144 165 A A H X S+ 0 0 24 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.888 112.9 52.8 -64.7 -38.4 0.7 84.5 18.9 145 166 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 12,-0.4 0.908 110.8 46.3 -62.7 -44.3 2.3 81.3 20.2 146 167 A Q H X S+ 0 0 103 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.915 114.8 46.5 -65.3 -44.8 4.4 83.2 22.7 147 168 A Q H X S+ 0 0 115 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.933 111.2 51.3 -63.4 -47.4 1.4 85.2 23.9 148 169 A E H X S+ 0 0 22 -4,-2.9 4,-3.7 1,-0.2 5,-0.4 0.901 103.2 58.8 -57.5 -44.2 -0.9 82.2 24.2 149 170 A A H X>S+ 0 0 13 -4,-1.9 4,-1.6 1,-0.2 5,-0.9 0.894 107.6 47.2 -52.5 -45.0 1.6 80.2 26.2 150 171 A Q H <5S+ 0 0 127 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.917 117.3 41.1 -66.4 -43.5 1.6 82.9 28.9 151 172 A T H <5S+ 0 0 118 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.947 122.8 38.9 -71.5 -45.8 -2.2 83.2 29.0 152 173 A S H <5S- 0 0 46 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.666 99.7-136.5 -77.2 -17.9 -2.9 79.5 28.8 153 174 A G T <5 + 0 0 65 -4,-1.6 2,-0.2 -5,-0.4 -3,-0.2 0.866 60.8 122.7 63.6 37.6 0.0 78.6 31.1 154 175 A K S - 0 0 29 1,-0.1 4,-1.9 54,-0.1 3,-0.3 -0.256 66.3-139.5 -59.9 135.7 17.6 74.5 -4.1 167 188 A Q H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 102.7 57.4 -59.7 -39.1 19.5 77.8 -4.4 168 189 A T H > S+ 0 0 107 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.851 108.8 43.7 -62.4 -37.1 16.8 79.1 -6.7 169 190 A Y H > S+ 0 0 79 -3,-0.3 4,-2.0 2,-0.2 5,-0.4 0.855 110.4 52.7 -79.4 -37.4 13.9 78.5 -4.3 170 191 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 6,-0.2 0.946 113.0 45.3 -63.8 -46.4 15.6 79.9 -1.2 171 192 A D H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.9 54.0 -62.4 -39.4 16.5 83.2 -3.0 172 193 A A H < S- 0 0 32 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.807 130.1 -0.2 -69.0 -33.2 12.9 83.3 -4.4 173 194 A G H < S+ 0 0 0 -4,-2.0 2,-0.5 -3,-0.2 -2,-0.2 0.521 102.8 89.0-140.7 1.9 10.9 83.0 -1.2 174 195 A Y < - 0 0 7 -4,-2.3 2,-1.5 -5,-0.4 3,-0.2 -0.908 43.7-164.8-116.4 122.9 12.9 82.7 2.0 175 196 A E >> - 0 0 39 -2,-0.5 4,-2.3 -44,-0.4 3,-0.8 -0.616 28.0-177.0 -91.4 68.7 14.2 85.6 4.2 176 197 A V H >> S+ 0 0 6 -2,-1.5 4,-2.9 1,-0.3 3,-0.6 0.858 72.2 46.6 -33.2 -73.6 16.5 83.0 5.9 177 198 A D H 3> S+ 0 0 93 55,-0.9 4,-0.7 1,-0.2 -1,-0.3 0.823 117.1 46.4 -44.2 -40.1 18.1 85.2 8.5 178 199 A K H <4 S+ 0 0 114 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.849 114.3 43.3 -77.6 -36.2 14.7 86.6 9.5 179 200 A I H XX S+ 0 0 1 -4,-2.3 4,-1.8 -3,-0.6 3,-1.7 0.866 104.8 64.7 -78.1 -33.3 12.7 83.4 9.7 180 201 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.795 96.4 58.7 -56.9 -30.1 15.4 81.6 11.5 181 202 A Q T 3< S+ 0 0 136 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.746 115.4 34.9 -72.3 -22.1 15.0 84.0 14.4 182 203 A N T <4 S+ 0 0 37 -3,-1.7 2,-0.5 -4,-0.4 -2,-0.2 0.556 99.5 85.7-108.4 -12.6 11.3 82.9 14.7 183 204 A L < - 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