==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-02 1GUV . COMPND 2 MOLECULE: CHITOTRIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.VON MOELLER,D.HOUSTON,R.G.BOOT,J.M.F.G.AERTS, . 361 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.6 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 0.6 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 . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 2 0 0 0 1 0 0 1 0 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 0 103 0, 0.0 2,-0.4 0, 0.0 330,-0.3 0.000 360.0 360.0 360.0 153.2 20.5 65.1 20.1 2 23 A K E -a 331 0A 53 328,-1.7 330,-2.7 29,-0.0 2,-0.5 -0.862 360.0-165.5-110.4 141.7 17.1 64.9 18.3 3 24 A L E -a 332 0A 5 -2,-0.4 29,-2.3 328,-0.2 28,-1.6 -0.928 16.0-172.3-127.3 102.1 15.6 62.1 16.3 4 25 A V E -ab 333 32A 0 328,-2.9 330,-3.4 -2,-0.5 2,-0.4 -0.860 2.8-173.3 -98.7 124.6 12.7 63.5 14.3 5 26 A a E -ab 334 33A 0 27,-2.5 29,-2.9 -2,-0.5 2,-0.6 -0.958 18.0-134.7-124.9 137.7 10.6 61.0 12.5 6 27 A Y E - b 0 34A 1 328,-2.6 331,-2.3 -2,-0.4 330,-0.5 -0.777 12.7-155.9 -94.3 122.9 7.8 61.6 10.0 7 28 A F E - b 0 35A 0 27,-4.1 29,-2.5 -2,-0.6 2,-0.5 -0.740 12.3-145.6 -91.5 145.8 4.6 59.6 10.4 8 29 A T E > - b 0 36A 1 -2,-0.3 3,-0.7 27,-0.2 4,-0.3 -0.953 7.8-156.9-117.8 121.6 2.5 59.3 7.2 9 30 A N T 3 S+ 0 0 4 27,-3.1 28,-0.1 -2,-0.5 -1,-0.1 0.408 92.3 52.6 -82.3 7.9 -1.3 59.2 7.3 10 31 A W T > S+ 0 0 93 26,-0.2 3,-2.3 1,-0.1 -1,-0.2 0.535 83.9 85.8-111.1 -11.3 -1.8 57.5 4.0 11 32 A A G X S+ 0 0 0 -3,-0.7 3,-1.7 1,-0.3 9,-1.7 0.708 71.9 79.3 -59.9 -18.8 0.6 54.6 4.9 12 33 A Q G 3 S+ 0 0 1 -4,-0.3 -1,-0.3 1,-0.3 7,-0.1 0.622 86.4 59.9 -65.5 -8.5 -2.5 53.1 6.6 13 34 A Y G < S+ 0 0 112 -3,-2.3 -1,-0.3 7,-0.1 -2,-0.2 0.411 73.6 115.3-101.9 3.2 -3.6 52.0 3.1 14 35 A R S < S- 0 0 32 -3,-1.7 5,-0.2 4,-0.2 258,-0.1 -0.479 71.4-110.2 -70.5 141.8 -0.5 49.8 2.3 15 36 A Q > - 0 0 47 256,-0.3 3,-2.3 3,-0.2 4,-0.5 -0.250 67.6 -19.4 -75.7 162.7 -1.6 46.2 1.9 16 37 A G G > S- 0 0 65 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 -0.067 131.6 -4.8 45.1-133.0 -0.8 43.3 4.2 17 38 A E G 3 S+ 0 0 123 1,-0.3 -1,-0.3 328,-0.1 326,-0.1 0.410 125.7 70.0 -73.1 1.8 2.1 43.8 6.5 18 39 A A G < + 0 0 0 -3,-2.3 -1,-0.3 324,-0.1 -4,-0.2 0.713 69.5 116.0 -88.8 -22.1 3.0 47.2 5.0 19 40 A R < - 0 0 109 -3,-1.3 2,-0.5 -4,-0.5 -7,-0.3 -0.178 52.2-161.7 -47.4 128.7 -0.1 48.8 6.5 20 41 A F + 0 0 0 -9,-1.7 -7,-0.1 -12,-0.1 -6,-0.1 -0.939 20.3 156.9-128.7 115.5 1.0 51.4 9.0 21 42 A L > - 0 0 16 -2,-0.5 3,-2.0 -10,-0.1 4,-0.1 -0.688 59.1 -87.9-119.4 175.4 -1.2 52.9 11.7 22 43 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 33,-0.0 0.773 120.4 68.7 -56.9 -27.6 -0.3 54.6 15.0 23 44 A K G 3 S+ 0 0 156 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.656 91.1 61.6 -68.6 -13.2 -0.2 51.3 16.9 24 45 A D G < S+ 0 0 39 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.382 84.8 111.6 -91.2 3.8 2.9 50.4 14.8 25 46 A L < - 0 0 10 -3,-1.9 -18,-0.0 -4,-0.1 -4,-0.0 -0.555 63.3-143.6 -81.6 141.7 4.7 53.4 16.4 26 47 A D >> - 0 0 26 -2,-0.2 3,-1.1 1,-0.1 4,-0.7 -0.909 9.9-157.5-105.1 106.1 7.5 52.9 18.9 27 48 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.633 90.6 40.2 -59.9 -18.9 7.1 55.7 21.5 28 49 A S T 34 S+ 0 0 52 1,-0.1 -2,-0.0 41,-0.0 3,-0.0 0.459 95.2 84.3-108.4 -5.4 10.8 55.7 22.7 29 50 A L T <4 S+ 0 0 2 -3,-1.1 2,-0.3 2,-0.0 -1,-0.1 0.910 97.4 26.2 -61.9 -49.3 12.2 55.3 19.2 30 51 A a < - 0 0 3 -4,-0.7 -26,-0.2 1,-0.1 3,-0.1 -0.810 63.9-143.2-115.5 157.3 12.2 59.0 18.2 31 52 A T S S+ 0 0 54 -28,-1.6 39,-2.2 -2,-0.3 2,-0.4 0.783 93.6 29.8 -88.4 -28.8 12.4 62.1 20.4 32 53 A H E -bc 4 70A 18 -29,-2.3 -27,-2.5 37,-0.2 2,-0.5 -0.998 67.2-164.6-133.2 132.8 10.0 63.9 18.0 33 54 A L E -bc 5 71A 1 37,-2.1 39,-2.1 -2,-0.4 2,-0.5 -0.978 7.4-161.8-119.3 128.1 7.2 62.5 15.9 34 55 A I E -bc 6 72A 0 -29,-2.9 -27,-4.1 -2,-0.5 2,-0.6 -0.939 11.1-141.5-114.5 130.1 5.7 64.6 13.1 35 56 A Y E -bc 7 73A 0 37,-2.2 39,-3.0 -2,-0.5 2,-0.5 -0.812 23.8-127.8 -93.1 117.1 2.4 63.8 11.6 36 57 A A E +bc 8 74A 0 -29,-2.5 -27,-3.1 -2,-0.6 -26,-0.2 -0.952 66.9 17.5-112.2 131.5 2.1 64.3 7.8 37 58 A F E + 0 0 28 37,-0.6 2,-0.3 -2,-0.5 38,-0.2 0.611 45.0 168.9-134.8 159.4 -0.0 65.9 6.7 38 59 A A E - c 0 75A 1 36,-2.7 38,-1.8 -3,-0.2 9,-0.2 -0.688 27.3-149.1 -97.5 154.2 -2.6 68.4 7.8 39 60 A G E -I 46 0B 4 7,-3.9 7,-1.7 -2,-0.3 2,-0.3 -0.264 8.1-116.4-111.0-161.1 -4.7 70.4 5.3 40 61 A M E +I 45 0B 7 5,-0.3 2,-0.5 -2,-0.1 5,-0.2 -0.914 22.7 175.3-151.1 119.0 -6.3 73.8 5.0 41 62 A T E > S-I 44 0B 76 3,-1.9 3,-1.1 -2,-0.3 6,-0.0 -0.978 80.5 -11.1-125.8 114.9 -10.0 74.7 4.6 42 63 A N T 3 S- 0 0 121 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.891 128.3 -56.5 62.6 43.6 -11.0 78.5 4.6 43 64 A H T 3 S+ 0 0 51 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.490 117.6 114.4 68.1 5.0 -7.5 79.4 5.8 44 65 A Q E < S-I 41 0B 92 -3,-1.1 -3,-1.9 57,-0.1 2,-0.3 -0.708 75.9-100.2-106.0 158.9 -7.9 77.2 8.8 45 66 A L E +I 40 0B 8 53,-0.3 2,-0.3 -2,-0.3 -5,-0.3 -0.593 51.5 169.6 -76.9 132.4 -6.0 74.0 9.7 46 67 A S E -I 39 0B 22 -7,-1.7 -7,-3.9 -2,-0.3 56,-0.0 -0.934 33.5 -98.2-142.8 165.6 -8.0 70.8 8.9 47 68 A T - 0 0 60 -2,-0.3 -7,-0.1 -9,-0.2 -9,-0.1 -0.174 17.8-162.3 -74.8 169.9 -7.7 67.1 8.6 48 69 A T S S+ 0 0 73 1,-0.3 2,-0.4 -11,-0.2 -1,-0.1 0.476 70.4 53.7-132.5 -10.7 -7.1 65.2 5.3 49 70 A E S > S- 0 0 51 1,-0.1 3,-2.3 0, 0.0 4,-0.3 -0.969 84.5-116.7-128.6 144.9 -8.2 61.6 6.1 50 71 A W T 3 S+ 0 0 198 -2,-0.4 3,-0.2 1,-0.3 4,-0.2 0.739 113.6 41.8 -51.8 -28.8 -11.5 60.4 7.6 51 72 A N T 3> S+ 0 0 12 1,-0.2 4,-3.4 2,-0.1 -1,-0.3 0.186 75.3 114.5-108.4 22.4 -9.8 59.1 10.7 52 73 A D H <> S+ 0 0 0 -3,-2.3 4,-3.9 1,-0.2 5,-0.2 0.927 78.2 51.7 -56.8 -46.4 -7.3 61.9 11.5 53 74 A E H > S+ 0 0 106 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.921 115.1 43.7 -56.7 -41.7 -9.1 62.8 14.7 54 75 A T H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.935 115.9 46.4 -69.6 -45.1 -8.9 59.2 15.8 55 76 A L H X S+ 0 0 4 -4,-3.4 4,-3.1 1,-0.2 3,-0.4 0.938 107.8 57.8 -62.3 -45.2 -5.3 58.7 14.6 56 77 A Y H X S+ 0 0 0 -4,-3.9 4,-3.0 -5,-0.3 5,-0.4 0.897 105.3 51.6 -49.9 -45.4 -4.3 62.0 16.3 57 78 A Q H X S+ 0 0 138 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.842 113.1 41.1 -65.3 -37.7 -5.5 60.7 19.7 58 79 A E H X S+ 0 0 75 -4,-1.4 4,-0.5 -3,-0.4 -1,-0.2 0.903 115.3 56.5 -74.7 -38.7 -3.6 57.4 19.6 59 80 A F H >< S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.945 117.5 29.3 -54.6 -59.2 -0.6 59.4 18.1 60 81 A N H >< S+ 0 0 8 -4,-3.0 3,-2.0 1,-0.2 4,-0.3 0.704 106.0 76.9 -78.7 -18.2 -0.3 61.9 20.9 61 82 A G H >< S+ 0 0 38 -4,-1.0 3,-1.2 -5,-0.4 4,-0.3 0.656 78.2 76.6 -65.0 -12.9 -1.7 59.4 23.4 62 83 A L G XX S+ 0 0 25 -3,-0.9 4,-1.6 -4,-0.5 3,-1.4 0.763 78.2 71.1 -67.5 -24.8 1.8 57.9 23.2 63 84 A K G <4 S+ 0 0 37 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.756 83.4 70.1 -64.6 -21.2 3.0 60.7 25.4 64 85 A K G <4 S+ 0 0 90 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.825 108.2 36.1 -64.9 -27.8 1.2 59.0 28.3 65 86 A M T <4 S+ 0 0 153 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.746 133.0 28.6 -92.7 -27.6 3.8 56.3 28.1 66 87 A N >< - 0 0 35 -4,-1.6 3,-1.4 1,-0.1 -1,-0.3 -0.754 63.0-177.6-137.8 87.1 6.6 58.6 27.2 67 88 A P T 3 S+ 0 0 105 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.653 83.6 63.4 -59.0 -16.1 6.2 62.2 28.7 68 89 A K T 3 S+ 0 0 176 -3,-0.1 -5,-0.1 -5,-0.1 -40,-0.0 0.819 78.3 103.6 -80.3 -30.2 9.4 63.2 27.0 69 90 A L < - 0 0 2 -3,-1.4 2,-0.4 -7,-0.1 -37,-0.2 -0.210 58.3-155.8 -53.6 135.4 8.1 62.6 23.4 70 91 A K E -c 32 0A 51 -39,-2.2 -37,-2.1 41,-0.0 2,-0.4 -0.962 6.8-162.0-117.2 137.0 7.2 65.7 21.5 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.5 -39,-0.2 42,-0.6 -0.934 7.5-176.6-121.2 143.1 4.7 65.7 18.7 72 93 A L E -cd 34 113A 0 -39,-2.1 -37,-2.2 -2,-0.4 2,-0.5 -0.917 23.6-127.3-131.5 160.1 4.1 68.2 15.9 73 94 A L E -cd 35 114A 0 40,-2.1 42,-3.1 -2,-0.3 2,-0.5 -0.930 21.2-147.3-109.1 127.0 1.6 68.4 13.1 74 95 A A E -cd 36 115A 0 -39,-3.0 -36,-2.7 -2,-0.5 -37,-0.6 -0.846 12.4-162.8 -98.5 127.5 3.0 68.9 9.6 75 96 A I E +cd 38 116A 0 40,-2.3 42,-2.5 -2,-0.5 2,-0.5 -0.897 53.2 14.5-110.7 138.9 0.9 71.0 7.2 76 97 A G E + d 0 117A 4 -38,-1.8 42,-0.2 -2,-0.4 4,-0.2 -0.907 57.1 174.3 112.8-134.6 1.4 71.0 3.5 77 98 A G > - 0 0 1 40,-2.3 4,-0.8 -2,-0.5 42,-0.5 -0.402 54.4 -67.0 108.1 172.8 3.4 68.5 1.5 78 99 A W T >4 S+ 0 0 173 1,-0.2 3,-2.0 2,-0.2 -1,-0.1 0.987 131.6 47.9 -62.5 -60.5 3.9 68.0 -2.3 79 100 A N T 34 S+ 0 0 156 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.838 103.2 65.9 -50.5 -34.9 0.3 66.9 -3.1 80 101 A F T 34 S- 0 0 41 -4,-0.2 4,-0.3 1,-0.1 -1,-0.3 0.806 92.9-158.0 -59.8 -29.5 -1.0 69.9 -1.1 81 102 A G << - 0 0 14 -3,-2.0 38,-0.4 -4,-0.8 -1,-0.1 -0.198 24.6 -94.3 77.7-176.7 0.5 72.4 -3.5 82 103 A T S >> S+ 0 0 2 42,-0.2 4,-1.8 36,-0.1 3,-1.6 0.655 96.7 91.7-112.1 -24.3 1.3 76.0 -2.8 83 104 A Q H 3> S+ 0 0 115 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.807 87.8 47.7 -42.2 -46.0 -1.8 77.8 -3.9 84 105 A K H 3> S+ 0 0 95 -4,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.744 108.4 54.6 -73.7 -21.3 -3.6 77.8 -0.5 85 106 A F H <> S+ 0 0 0 -3,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.868 106.4 53.2 -75.9 -38.0 -0.5 78.9 1.4 86 107 A T H < S+ 0 0 29 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 110.1 45.8 -60.9 -50.4 -0.3 81.9 -0.9 87 108 A D H < S+ 0 0 91 -4,-1.7 4,-0.4 1,-0.2 3,-0.4 0.763 115.0 49.4 -66.1 -25.5 -3.9 82.9 -0.2 88 109 A M H < S+ 0 0 0 -4,-1.0 3,-0.5 1,-0.2 -2,-0.2 0.951 115.6 38.8 -78.6 -52.2 -3.4 82.4 3.5 89 110 A V S < S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.085 95.3 97.4 -84.3 22.9 -0.2 84.4 4.0 90 111 A A S S+ 0 0 70 -3,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 0.968 94.5 6.3 -74.2 -57.6 -1.7 86.9 1.5 91 112 A T S S- 0 0 75 -3,-0.5 -3,-0.0 -4,-0.4 0, 0.0 0.070 78.2-115.1-101.6-147.3 -3.1 89.4 4.0 92 113 A A S > S+ 0 0 62 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.571 106.9 61.5-124.8 -38.9 -2.7 89.5 7.8 93 114 A N H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.883 107.8 47.5 -58.0 -39.4 -6.3 89.0 8.9 94 115 A N H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 107.7 54.0 -71.1 -37.5 -6.2 85.6 7.1 95 116 A R H > S+ 0 0 32 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.901 108.5 50.9 -63.1 -38.2 -2.9 84.6 8.7 96 117 A Q H X S+ 0 0 42 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.883 105.6 55.5 -64.5 -38.2 -4.5 85.4 12.0 97 118 A T H X S+ 0 0 48 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.892 115.3 39.6 -60.8 -39.4 -7.4 83.1 11.0 98 119 A F H X S+ 0 0 0 -4,-2.0 4,-4.2 2,-0.2 -53,-0.3 0.964 115.5 48.2 -73.9 -57.4 -4.9 80.4 10.4 99 120 A V H X S+ 0 0 8 -4,-3.6 4,-2.4 1,-0.3 -2,-0.2 0.910 115.1 47.2 -51.5 -44.6 -2.6 81.0 13.4 100 121 A N H X S+ 0 0 106 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.3 0.855 115.0 45.8 -68.7 -30.3 -5.6 81.2 15.7 101 122 A S H X S+ 0 0 14 -4,-1.1 4,-2.9 -5,-0.3 5,-0.2 0.901 110.0 54.1 -76.2 -41.3 -7.0 78.0 14.1 102 123 A A H X S+ 0 0 0 -4,-4.2 4,-3.5 1,-0.2 5,-0.3 0.967 109.8 48.7 -54.1 -53.6 -3.6 76.3 14.4 103 124 A I H X S+ 0 0 26 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.916 114.2 43.3 -53.3 -50.0 -3.5 77.1 18.1 104 125 A R H X S+ 0 0 198 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.891 117.2 48.3 -63.9 -39.2 -7.0 75.8 18.8 105 126 A F H X S+ 0 0 26 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.882 112.2 46.2 -69.5 -44.8 -6.4 72.7 16.6 106 127 A L H X>S+ 0 0 0 -4,-3.5 5,-3.0 -5,-0.2 4,-0.5 0.949 116.8 45.0 -65.6 -46.9 -3.1 71.7 18.1 107 128 A R H ><5S+ 0 0 42 -4,-2.2 3,-0.7 -5,-0.3 -2,-0.2 0.875 109.3 57.0 -63.4 -38.9 -4.3 72.2 21.6 108 129 A K H 3<5S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.963 117.0 32.8 -57.7 -51.1 -7.5 70.4 20.9 109 130 A Y H 3<5S- 0 0 32 -4,-2.0 -1,-0.2 -5,-0.1 -49,-0.2 0.300 115.2-108.9 -91.6 8.6 -5.7 67.2 19.8 110 131 A S T <<5 + 0 0 71 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.902 59.9 157.1 67.9 44.3 -2.7 67.5 22.1 111 132 A F < - 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