==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-09 3FY1 . COMPND 2 MOLECULE: ACIDIC MAMMALIAN CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND . 750 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 0.1 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 . 38 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 0 0 0 6 0 5 3 0 0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 7 5 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 PARALLEL BRIDGES PER LADDER . 2 0 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 2 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 Y 0 0 108 0, 0.0 2,-0.3 0, 0.0 334,-0.3 0.000 360.0 360.0 360.0 148.9 10.3 50.7 89.4 2 23 A Q E -a 335 0A 45 332,-2.2 334,-2.5 29,-0.0 2,-0.4 -0.734 360.0-161.6 -90.6 146.5 11.0 50.6 85.6 3 24 A L E -a 336 0A 0 -2,-0.3 28,-2.2 332,-0.2 29,-1.8 -0.910 17.0-173.9-126.6 102.9 9.4 53.2 83.3 4 25 A T E -ab 337 32A 2 332,-3.0 334,-2.4 -2,-0.4 2,-0.5 -0.865 2.4-166.9-108.1 123.6 9.6 51.7 79.9 5 26 A a E -ab 338 33A 0 27,-2.7 29,-2.5 -2,-0.5 2,-0.4 -0.936 11.6-140.7-121.5 128.9 8.6 53.9 76.9 6 27 A Y E -ab 339 34A 5 332,-2.7 335,-2.7 -2,-0.5 334,-0.5 -0.719 11.2-163.0 -89.0 132.2 8.0 52.8 73.3 7 28 A F E - b 0 35A 1 27,-3.0 29,-3.2 -2,-0.4 2,-0.4 -0.916 12.0-145.3-108.1 139.2 9.0 54.9 70.3 8 29 A T E > - b 0 36A 1 -2,-0.4 3,-1.2 27,-0.2 4,-0.3 -0.897 10.6-144.1-114.2 134.0 7.5 54.2 66.9 9 30 A N T 3 S+ 0 0 1 27,-2.8 28,-0.1 -2,-0.4 -1,-0.1 0.354 97.8 59.1 -78.1 6.1 9.3 54.6 63.6 10 31 A W T > S+ 0 0 81 26,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.476 78.9 85.1-106.6 -7.8 6.2 55.8 61.7 11 32 A A G X S+ 0 0 0 -3,-1.2 3,-1.4 1,-0.3 9,-1.1 0.748 76.4 74.6 -62.0 -23.0 5.6 58.9 64.0 12 33 A Q G 3 S+ 0 0 10 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.669 89.0 58.4 -62.1 -20.4 8.1 60.6 61.7 13 34 A Y G < S+ 0 0 34 -3,-1.7 -1,-0.2 7,-0.1 -2,-0.2 0.444 77.8 113.1 -93.8 -1.4 5.5 60.9 59.0 14 35 A R S < S- 0 0 15 -3,-1.4 5,-0.2 4,-0.2 260,-0.1 -0.443 72.0-106.8 -74.7 144.3 2.9 62.8 61.0 15 36 A P > - 0 0 40 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.354 66.2 -35.1 -72.9 149.6 2.2 66.4 59.8 16 37 A G G > S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 -0.068 132.3 8.5 52.2-128.0 3.3 69.5 61.6 17 38 A L G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 330,-0.2 0.577 123.2 67.5 -65.3 -12.2 3.4 69.3 65.4 18 39 A G G < S+ 0 0 0 -3,-2.3 -1,-0.3 254,-0.1 -4,-0.2 0.744 70.9 111.3 -79.2 -24.8 2.7 65.6 65.2 19 40 A R < - 0 0 122 -3,-1.5 2,-0.4 -4,-0.3 -7,-0.2 -0.283 48.5-174.6 -55.3 125.5 6.1 64.8 63.7 20 41 A F + 0 0 0 -9,-1.1 -6,-0.1 -12,-0.1 -7,-0.1 -0.979 7.4 176.8-134.6 122.0 8.1 62.9 66.3 21 42 A M > - 0 0 34 -2,-0.4 3,-2.1 -10,-0.1 4,-0.3 -0.709 46.8 -98.2-115.9 164.5 11.8 61.8 65.9 22 43 A P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 0.855 121.4 59.6 -52.2 -37.7 14.2 60.1 68.3 23 44 A D G 3 S+ 0 0 111 1,-0.3 36,-0.0 3,-0.0 -3,-0.0 0.540 92.0 68.9 -72.7 -5.3 15.8 63.5 69.3 24 45 A D G < S+ 0 0 69 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.545 79.3 101.4 -84.5 -8.2 12.3 64.6 70.5 25 46 A I S < S- 0 0 4 -3,-1.8 317,-0.0 -4,-0.3 -18,-0.0 -0.645 77.4-130.3 -78.7 126.6 12.6 62.1 73.3 26 47 A N >> - 0 0 71 -2,-0.4 3,-1.8 1,-0.1 4,-0.5 -0.714 15.8-150.9 -71.2 112.8 13.6 63.5 76.7 27 48 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.622 92.6 53.4 -65.0 -11.4 16.5 61.1 77.7 28 49 A b T 34 S+ 0 0 40 1,-0.1 343,-0.1 345,-0.1 -2,-0.0 0.380 90.4 77.8-102.0 -0.5 15.7 61.7 81.4 29 50 A L T <4 S+ 0 0 4 -3,-1.8 2,-0.3 1,-0.0 -1,-0.1 0.912 95.7 30.2 -80.9 -46.4 12.0 60.8 81.2 30 51 A a < - 0 0 6 -4,-0.5 -26,-0.2 1,-0.1 3,-0.1 -0.754 61.9-139.8-115.3 159.5 12.0 57.0 81.1 31 52 A T S S+ 0 0 29 -28,-2.2 39,-1.6 -2,-0.3 2,-0.4 0.790 93.6 25.6 -83.7 -33.7 14.4 54.3 82.4 32 53 A H E -bc 4 70A 15 -29,-1.8 -27,-2.7 37,-0.2 2,-0.4 -0.985 66.3-160.0-132.4 140.7 14.1 52.2 79.3 33 54 A L E -bc 5 71A 1 37,-2.2 39,-2.4 -2,-0.4 2,-0.4 -0.987 8.7-160.7-120.0 134.5 13.3 53.1 75.7 34 55 A I E -bc 6 72A 0 -29,-2.5 -27,-3.0 -2,-0.4 2,-0.6 -0.965 10.9-139.8-121.8 129.7 12.0 50.5 73.2 35 56 A Y E -bc 7 73A 0 37,-2.8 39,-2.9 -2,-0.4 2,-0.5 -0.765 23.1-128.1 -92.1 117.5 12.2 51.0 69.4 36 57 A A E +bc 8 74A 0 -29,-3.2 -27,-2.8 -2,-0.6 -26,-0.2 -0.945 66.6 17.0-110.5 123.3 9.1 49.7 67.4 37 58 A F E + 0 0 22 37,-0.6 11,-0.3 -2,-0.5 2,-0.2 0.625 41.1 162.3-139.3 157.3 9.6 47.9 65.1 38 59 A A E - c 0 75A 1 36,-3.0 38,-2.1 -3,-0.3 9,-0.2 -0.668 28.7-155.6 -89.8 159.6 12.2 45.6 63.6 39 60 A G E -I 46 0B 2 7,-3.2 7,-1.8 -2,-0.2 2,-0.3 -0.333 9.7-113.8-117.0-159.3 11.1 43.0 61.0 40 61 A M E +I 45 0B 20 5,-0.3 2,-0.3 -2,-0.1 5,-0.2 -0.996 22.6 176.0-147.8 139.5 12.3 39.7 59.7 41 62 A Q E > S-I 44 0B 119 3,-2.6 3,-1.5 -2,-0.3 -2,-0.0 -0.968 77.7 -9.1-144.6 128.5 13.7 38.3 56.4 42 63 A N T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.894 129.1 -55.5 49.1 46.3 15.0 34.8 55.8 43 64 A N T 3 S+ 0 0 35 1,-0.2 2,-0.4 41,-0.0 -1,-0.3 0.629 117.2 110.9 64.4 19.1 14.9 34.1 59.6 44 65 A E E < S-I 41 0B 96 -3,-1.5 -3,-2.6 57,-0.1 -1,-0.2 -0.940 74.1-106.1-123.0 145.2 17.1 37.1 60.4 45 66 A I E +I 40 0B 9 53,-0.4 2,-0.3 -2,-0.4 -5,-0.3 -0.409 46.9 173.3 -67.5 141.2 16.2 40.4 62.1 46 67 A T E -I 39 0B 42 -7,-1.8 -7,-3.2 -2,-0.1 2,-0.1 -0.940 33.7 -99.1-143.7 165.1 15.9 43.4 59.8 47 68 A T - 0 0 55 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.315 22.2-166.1 -72.4 166.2 15.0 47.1 59.5 48 69 A I + 0 0 86 -11,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.575 66.7 62.4-128.4 -28.5 11.5 48.1 58.1 49 70 A E S > S- 0 0 33 -12,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.810 84.3-121.0-100.9 147.6 11.8 51.8 57.4 50 71 A W T 3 S+ 0 0 92 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.788 112.1 40.0 -55.6 -32.9 14.3 53.2 54.9 51 72 A N T 3> S+ 0 0 18 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.120 76.0 118.9-106.8 20.2 16.0 55.4 57.5 52 73 A D H <> S+ 0 0 1 -3,-2.0 4,-3.2 1,-0.2 5,-0.2 0.866 73.6 55.2 -55.7 -40.0 16.0 53.0 60.5 53 74 A V H > S+ 0 0 62 -3,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.933 110.3 45.4 -61.0 -45.8 19.8 52.9 60.7 54 75 A T H > S+ 0 0 92 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 115.3 48.2 -59.4 -45.0 19.9 56.7 61.0 55 76 A L H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.876 107.7 54.3 -66.0 -38.1 17.1 56.6 63.5 56 77 A Y H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.4 0.902 107.7 52.3 -57.8 -44.3 18.8 53.8 65.6 57 78 A Q H X S+ 0 0 139 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.894 113.6 40.8 -60.8 -44.7 21.8 56.0 65.8 58 79 A A H X S+ 0 0 23 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.888 117.2 51.0 -69.0 -40.0 19.9 59.0 67.1 59 80 A F H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.2 0.962 115.9 37.8 -64.0 -57.1 17.8 56.8 69.4 60 81 A N H >< S+ 0 0 5 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.786 105.9 70.2 -69.1 -24.7 20.7 54.9 71.0 61 82 A G H >< S+ 0 0 24 -4,-1.3 3,-1.7 -5,-0.4 -1,-0.3 0.677 79.2 77.5 -62.7 -20.0 22.6 58.2 71.0 62 83 A L G X< S+ 0 0 3 -3,-1.3 3,-1.9 -4,-0.5 4,-0.5 0.781 80.6 69.8 -58.1 -27.3 20.2 59.4 73.7 63 84 A K G < S+ 0 0 37 -3,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.720 84.1 69.3 -64.7 -21.0 22.3 57.2 76.1 64 85 A N G < S+ 0 0 113 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.535 103.8 43.4 -70.0 -7.4 25.1 59.8 75.6 65 86 A K S < S+ 0 0 127 -3,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.456 121.2 37.7-114.6 -10.2 22.9 62.1 77.6 66 87 A N > - 0 0 9 -4,-0.5 3,-1.2 -3,-0.4 -1,-0.3 -0.826 63.7-163.2-147.4 104.4 21.7 59.7 80.3 67 88 A S T 3 S+ 0 0 48 307,-3.1 308,-0.1 -2,-0.3 306,-0.1 0.636 91.9 48.9 -63.0 -18.7 24.3 57.1 81.6 68 89 A Q T 3 S+ 0 0 127 304,-0.3 -1,-0.3 306,-0.2 -5,-0.1 0.593 84.0 113.7 -98.6 -15.3 21.6 54.9 83.2 69 90 A L < - 0 0 3 -3,-1.2 2,-0.3 -6,-0.2 -37,-0.2 -0.311 47.1-164.4 -62.8 136.8 19.3 54.8 80.1 70 91 A K E -c 32 0A 85 -39,-1.6 -37,-2.2 -2,-0.0 2,-0.3 -0.941 1.9-155.5-122.4 148.1 18.9 51.4 78.4 71 92 A T E -c 33 0A 0 -2,-0.3 41,-2.3 -39,-0.2 42,-0.4 -0.931 7.9-172.6-125.3 145.6 17.4 50.7 75.0 72 93 A L E -c 34 0A 2 -39,-2.4 -37,-2.8 -2,-0.3 2,-0.5 -0.935 19.6-132.7-131.6 157.9 15.7 47.7 73.4 73 94 A L E -cd 35 114A 0 40,-2.1 42,-2.7 -2,-0.3 2,-0.4 -0.962 19.4-145.5-110.3 124.5 14.5 46.9 69.9 74 95 A A E -cd 36 115A 0 -39,-2.9 -36,-3.0 -2,-0.5 -37,-0.6 -0.760 10.3-156.5 -89.2 131.6 11.1 45.4 69.5 75 96 A I E +cd 38 116A 0 40,-2.4 42,-2.3 -2,-0.4 2,-0.6 -0.929 57.8 1.0-108.1 131.1 10.5 42.9 66.8 76 97 A G E - d 0 117A 6 -38,-2.1 42,-0.2 -2,-0.5 3,-0.1 -0.881 62.0-169.3 111.8-117.5 7.1 42.2 65.3 77 98 A G >> - 0 0 2 40,-2.9 3,-0.8 -2,-0.6 4,-0.7 -0.285 49.0 -64.8 103.7 166.8 3.9 44.1 66.3 78 99 A W G >4 S+ 0 0 130 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.926 132.5 47.8 -53.1 -51.4 0.2 43.5 65.6 79 100 A N G 34 S+ 0 0 141 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.653 99.4 69.5 -70.1 -16.0 0.5 44.2 61.8 80 101 A F G <4 S- 0 0 52 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.799 87.0-165.9 -70.6 -28.2 3.5 41.9 61.5 81 102 A G << - 0 0 18 -3,-1.2 38,-0.5 -4,-0.7 -1,-0.2 -0.287 32.4 -78.8 67.7-158.1 1.2 38.9 62.2 82 103 A T S >> S+ 0 0 8 42,-0.5 4,-2.7 36,-0.1 3,-0.5 0.627 96.1 96.6-117.2 -20.3 2.7 35.4 63.0 83 104 A A H 3> S+ 0 0 31 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.846 89.5 43.6 -49.5 -51.0 3.8 33.8 59.8 84 105 A P H 3> S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.866 115.1 50.5 -64.8 -33.7 7.6 34.8 60.0 85 106 A F H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.939 109.8 50.0 -65.4 -46.6 7.7 33.9 63.8 86 107 A T H X S+ 0 0 28 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.935 113.2 45.8 -56.8 -48.2 6.1 30.4 63.1 87 108 A A H < S+ 0 0 47 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.884 112.3 52.4 -63.4 -38.7 8.6 29.7 60.4 88 109 A M H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.883 114.3 39.5 -68.0 -40.4 11.5 30.9 62.5 89 110 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.638 93.5 88.6 -82.6 -12.5 10.8 28.7 65.5 90 111 A S T 3< S+ 0 0 68 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.725 95.8 28.6 -63.2 -26.5 9.7 25.7 63.5 91 112 A T S <> S- 0 0 44 -3,-0.5 4,-2.0 -4,-0.4 5,-0.2 -0.988 73.0-129.7-134.4 147.7 13.3 24.3 63.3 92 113 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.851 111.7 56.9 -61.4 -33.6 16.3 24.6 65.7 93 114 A E H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.895 106.6 48.1 -64.4 -41.9 18.4 25.7 62.7 94 115 A N H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 111.0 51.0 -64.8 -39.8 16.1 28.6 61.9 95 116 A R H X S+ 0 0 19 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.910 110.6 49.1 -63.7 -43.0 16.2 29.7 65.6 96 117 A Q H X S+ 0 0 112 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.925 109.7 51.3 -60.7 -46.9 20.0 29.6 65.6 97 118 A T H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.933 114.3 45.5 -54.6 -46.1 20.0 31.7 62.4 98 119 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -53,-0.4 0.940 112.5 48.0 -63.5 -50.9 17.7 34.2 64.1 99 120 A I H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.933 111.8 50.6 -59.0 -48.2 19.5 34.4 67.4 100 121 A T H X S+ 0 0 79 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.917 111.4 48.6 -53.5 -46.7 22.9 34.8 65.7 101 122 A S H X S+ 0 0 14 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.878 110.1 52.3 -63.8 -38.1 21.5 37.7 63.6 102 123 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.928 108.1 49.4 -65.6 -46.7 19.9 39.3 66.7 103 124 A I H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.945 115.3 45.2 -56.2 -48.0 23.2 39.4 68.6 104 125 A K H X S+ 0 0 150 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.924 114.8 47.7 -60.2 -46.8 25.0 40.9 65.6 105 126 A F H X S+ 0 0 23 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 113.1 45.9 -63.2 -51.0 22.2 43.4 65.0 106 127 A L H X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-1.0 0.895 116.3 45.2 -62.7 -43.5 21.9 44.7 68.6 107 128 A R H <5S+ 0 0 68 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.905 113.0 51.6 -66.3 -42.3 25.6 45.0 69.0 108 129 A Q H <5S+ 0 0 113 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.899 119.1 34.5 -60.1 -44.0 26.1 46.7 65.7 109 130 A Y H <5S- 0 0 51 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.434 112.9-113.5 -99.8 0.2 23.4 49.3 66.3 110 131 A E T <5 + 0 0 136 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.850 58.3 152.8 73.9 41.2 24.0 49.7 70.0 111 132 A F < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 -39,-0.2 -0.733 42.2-142.8 -91.8 149.6 20.8 48.4 71.5 112 133 A D S S- 0 0 34 -41,-2.3 46,-2.7 -2,-0.3 2,-0.3 0.433 71.4 -24.3 -94.1 -0.0 20.8 46.8 75.0 113 134 A G E - e 0 158A 0 -42,-0.4 -40,-2.1 44,-0.3 2,-0.4 -0.984 62.0 -90.5 174.7 179.5 18.3 44.1 74.2 114 135 A L E -de 73 159A 0 44,-2.4 46,-2.7 -2,-0.3 2,-0.6 -0.958 20.3-157.9-118.0 133.7 15.4 42.6 72.3 115 136 A D E -de 74 160A 0 -42,-2.7 -40,-2.4 -2,-0.4 2,-0.5 -0.952 18.0-142.5-107.3 111.9 11.7 42.9 73.0 116 137 A F E +de 75 161A 0 44,-3.0 46,-3.1 -2,-0.6 -40,-0.1 -0.649 21.4 177.8 -72.3 125.1 9.7 40.1 71.4 117 138 A D E +d 76 0A 4 -42,-2.3 -40,-2.9 -2,-0.5 2,-0.7 -0.467 15.5 157.2-125.0 60.8 6.4 41.4 70.1 118 139 A W - 0 0 3 44,-0.3 2,-0.6 -42,-0.2 -36,-0.1 -0.778 38.5-138.1 -84.3 115.7 4.9 38.2 68.6 119 140 A E S S- 0 0 14 -2,-0.7 -38,-0.1 -38,-0.5 44,-0.1 -0.826 74.5 -19.2-117.7 91.3 1.2 38.7 68.5 120 141 A Y > - 0 0 27 -2,-0.6 3,-1.7 1,-0.1 6,-0.3 0.695 48.1-148.0-143.0 159.4 0.7 35.9 69.3 121 142 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.398 101.5 15.2 -58.3 138.9 2.0 32.4 69.7 122 143 A G T 3 S+ 0 0 17 5,-0.5 2,-0.3 1,-0.2 3,-0.1 0.448 121.9 66.0 76.2 1.1 -0.9 29.9 69.3 123 144 A S S X S+ 0 0 19 -3,-1.7 3,-1.8 1,-0.1 -1,-0.2 -0.889 77.3 41.2-143.5 174.9 -3.3 32.4 67.7 124 145 A R T 3 S- 0 0 84 1,-0.3 -42,-0.5 -2,-0.3 337,-0.2 0.879 139.4 -38.0 51.8 43.6 -3.7 34.6 64.6 125 146 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.155 109.1 126.6 98.2 -19.6 -2.6 31.7 62.3 126 147 A S < - 0 0 7 -3,-1.8 -1,-0.3 -6,-0.3 -43,-0.1 -0.611 59.5-125.9 -75.1 124.5 0.1 30.5 64.7 127 148 A P > - 0 0 33 0, 0.0 3,-2.0 0, 0.0 -5,-0.5 -0.217 24.4-100.5 -74.1 163.6 -0.3 26.7 65.4 128 149 A P T > S+ 0 0 110 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.774 116.4 64.9 -57.1 -32.4 -0.6 25.1 68.9 129 150 A Q T 3> S+ 0 0 111 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.686 86.1 74.7 -64.1 -19.6 3.1 23.9 69.0 130 151 A D H <> S+ 0 0 2 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.720 81.6 68.9 -67.2 -23.6 4.2 27.6 68.9 131 152 A K H <> S+ 0 0 67 -3,-1.5 4,-1.1 -4,-0.3 44,-0.4 0.964 111.6 31.3 -57.2 -53.3 3.2 28.0 72.6 132 153 A H H > S+ 0 0 98 -4,-0.5 4,-2.2 -3,-0.3 3,-0.2 0.895 116.1 58.3 -72.5 -40.5 6.0 25.7 73.6 133 154 A L H X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.828 101.4 57.3 -61.6 -30.2 8.3 26.7 70.8 134 155 A F H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.923 106.1 49.0 -62.8 -44.8 8.1 30.4 72.0 135 156 A T H X S+ 0 0 6 -4,-1.1 4,-2.7 -3,-0.2 -2,-0.2 0.930 112.3 49.2 -56.8 -47.1 9.4 29.2 75.5 136 157 A V H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.922 110.6 49.8 -59.2 -47.3 12.2 27.4 73.7 137 158 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.916 112.7 46.8 -56.8 -47.8 13.1 30.4 71.5 138 159 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 112.9 48.5 -65.7 -44.2 13.2 32.7 74.6 139 160 A Q H X S+ 0 0 59 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.934 112.4 48.5 -60.2 -48.0 15.3 30.3 76.6 140 161 A E H X S+ 0 0 65 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.883 113.3 48.0 -60.8 -39.6 17.8 29.8 73.7 141 162 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.929 111.5 49.5 -64.8 -48.3 18.0 33.6 73.3 142 163 A R H X S+ 0 0 39 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.929 114.4 45.1 -56.5 -46.8 18.6 34.2 77.0 143 164 A E H X S+ 0 0 89 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.887 112.0 51.2 -69.9 -38.1 21.3 31.5 77.1 144 165 A A H X S+ 0 0 26 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.907 110.9 50.1 -60.6 -43.1 22.9 32.8 73.9 145 166 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 12,-0.3 0.892 109.4 50.9 -61.0 -43.1 22.9 36.3 75.5 146 167 A E H X S+ 0 0 80 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.929 113.3 45.2 -59.7 -46.3 24.5 35.0 78.7 147 168 A Q H X S+ 0 0 132 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.900 112.6 50.3 -66.9 -42.2 27.3 33.2 76.7 148 169 A E H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.892 104.0 59.2 -63.2 -41.0 27.9 36.3 74.4 149 170 A A H X>S+ 0 0 11 -4,-2.2 5,-1.9 1,-0.2 4,-0.7 0.885 110.2 42.7 -55.6 -41.7 28.2 38.6 77.4 150 171 A K H <5S+ 0 0 179 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.824 110.3 55.1 -76.2 -33.4 31.1 36.6 78.8 151 172 A Q H <5S+ 0 0 150 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 121.0 30.0 -71.3 -31.0 32.9 36.1 75.5 152 173 A I H <5S- 0 0 70 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.427 105.1-126.2-105.9 -2.3 33.1 39.8 74.8 153 174 A N T <5 + 0 0 151 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.916 66.7 120.9 57.0 49.5 33.2 40.9 78.4 154 175 A K S S- 0 0 27 1,-0.1 4,-2.5 54,-0.1 5,-0.2 -0.570 72.4-139.8 -73.1 128.1 -6.8 38.6 76.5 167 188 A I H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 101.5 49.2 -59.4 -46.2 -7.3 35.5 78.6 168 189 A S H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.9 48.8 -57.1 -44.5 -7.9 33.1 75.6 169 190 A N H > S+ 0 0 51 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.872 111.2 49.7 -62.8 -40.7 -4.8 34.5 73.9 170 191 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 3,-0.5 0.931 110.9 49.8 -62.6 -47.6 -2.7 34.0 77.1 171 192 A Q H < S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.863 118.3 37.2 -63.1 -38.8 -3.9 30.4 77.6 172 193 A S H < S+ 0 0 44 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.556 123.1 45.9 -87.2 -7.3 -3.1 29.4 74.0 173 194 A G H < S+ 0 0 0 -4,-0.8 2,-0.4 -3,-0.5 -2,-0.2 0.795 101.6 45.8-107.1 -35.4 0.1 31.5 73.9 174 195 A Y < - 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0 0 8 -3,-2.0 -1,-0.3 -6,-0.3 -43,-0.1 -0.607 59.3-124.9 -73.7 124.5 -0.3 29.8 53.9 505 148 B P > - 0 0 32 0, 0.0 3,-2.0 0, 0.0 -5,-0.5 -0.225 24.7-100.1 -72.1 162.1 0.0 25.9 53.8 506 149 B P T > S+ 0 0 112 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.741 116.7 65.4 -53.6 -32.7 0.2 23.8 50.6 507 150 B Q T 3> S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.711 85.7 74.0 -66.4 -20.1 -3.5 22.8 50.7 508 151 B D H <> S+ 0 0 2 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.713 81.7 69.1 -66.6 -23.7 -4.6 26.4 50.2 509 152 B K H <> S+ 0 0 69 -3,-1.3 4,-1.0 -4,-0.3 44,-0.5 0.967 112.0 31.0 -57.1 -51.6 -3.5 26.2 46.5 510 153 B H H > S+ 0 0 98 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.885 116.2 58.8 -73.1 -39.5 -6.5 23.9 45.9 511 154 B L H X S+ 0 0 33 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.808 100.6 57.3 -62.7 -29.5 -8.7 25.4 48.6 512 155 B F H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.931 106.3 49.3 -63.0 -46.2 -8.4 28.8 46.8 513 156 B T H X S+ 0 0 7 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.923 111.3 49.9 -55.4 -46.7 -9.9 27.1 43.7 514 157 B V H X S+ 0 0 21 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.936 110.3 49.8 -59.0 -49.0 -12.7 25.6 45.8 515 158 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.924 113.1 45.9 -54.5 -49.8 -13.5 29.0 47.4 516 159 B V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.914 113.1 49.9 -64.6 -43.9 -13.7 30.7 44.0 517 160 B Q H X S+ 0 0 60 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.943 112.9 46.4 -57.3 -50.4 -15.8 27.9 42.5 518 161 B E H X S+ 0 0 54 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.880 114.3 48.2 -62.1 -39.5 -18.2 28.0 45.4 519 162 B M H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.949 112.0 48.4 -65.2 -49.6 -18.4 31.8 45.3 520 163 B R H X S+ 0 0 44 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.926 114.9 45.8 -55.1 -48.0 -18.9 31.9 41.5 521 164 B E H X S+ 0 0 79 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.868 112.0 51.3 -65.3 -37.2 -21.7 29.2 41.8 522 165 B A H X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.849 109.2 51.2 -67.0 -35.7 -23.2 31.1 44.8 523 166 B F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 12,-0.2 0.889 108.6 51.4 -66.4 -41.5 -23.3 34.3 42.7 524 167 B E H X S+ 0 0 69 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.880 113.0 45.2 -61.7 -40.5 -25.0 32.4 39.8 525 168 B Q H X S+ 0 0 101 -4,-1.9 4,-1.8 2,-0.2 3,-0.2 0.880 110.6 52.8 -71.8 -40.7 -27.7 31.1 42.3 526 169 B E H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.862 104.1 58.2 -61.2 -38.2 -28.1 34.6 43.9 527 170 B A H X>S+ 0 0 16 -4,-2.0 5,-1.5 1,-0.2 4,-0.8 0.861 107.5 47.1 -58.6 -38.8 -28.7 36.0 40.4 528 171 B K H <5S+ 0 0 162 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.862 110.1 53.0 -71.2 -39.5 -31.6 33.6 40.0 529 172 B Q H <5S+ 0 0 153 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.972 122.0 27.0 -57.9 -57.5 -33.1 34.4 43.4 530 173 B I H <5S- 0 0 75 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.412 104.5-122.9 -92.8 -2.4 -33.3 38.1 43.0 531 174 B N T <5 + 0 0 143 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.982 68.6 115.0 53.6 68.8 -33.6 38.3 39.2 532 175 B K S S- 0 0 28 1,-0.1 4,-2.4 54,-0.1 5,-0.2 -0.594 72.1-140.2 -73.5 128.7 6.6 35.8 41.0 545 188 B I H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.894 100.8 49.8 -62.1 -43.3 7.0 32.3 39.3 546 189 B S H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 112.9 47.9 -56.9 -47.3 7.6 30.5 42.6 547 190 B N H > S+ 0 0 47 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.860 112.2 49.4 -62.6 -38.6 4.5 32.2 44.1 548 191 B I H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.932 110.9 49.5 -65.2 -47.9 2.4 31.3 41.1 549 192 B Q H < S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.1 37.0 -60.3 -40.8 3.5 27.6 41.1 550 193 B S H < S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.574 122.1 47.5 -87.8 -7.8 2.8 27.2 44.8 551 194 B G H < S+ 0 0 0 -4,-0.9 2,-0.4 -3,-0.3 -2,-0.2 0.800 101.7 45.2-103.4 -34.6 -0.3 29.4 44.7 552 195 B Y < - 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