==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-10 3ALG . COMPND 2 MOLECULE: CHITINASE, CLASS V; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR T.NUMATA,T.OSAWA,T.OHNUMA,T.FUKAMIZO . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 1 0 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 5 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 PARALLEL BRIDGES PER LADDER . 1 2 2 1 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 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 1 A Q 0 0 109 0, 0.0 347,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.1 34.0 24.7 -4.2 2 2 A N - 0 0 34 345,-2.9 2,-0.5 1,-0.0 320,-0.2 -0.442 360.0-116.1 -74.9 159.5 35.1 27.7 -2.0 3 3 A V E +a 322 0A 1 318,-1.9 320,-2.1 -2,-0.1 2,-0.5 -0.881 30.3 175.9-108.8 123.5 35.2 27.2 1.7 4 4 A K E -a 323 0A 16 -2,-0.5 21,-2.6 318,-0.2 22,-1.5 -0.884 32.2-173.3-116.4 92.5 33.0 29.1 4.2 5 5 A G E -ab 324 26A 0 318,-3.0 320,-1.7 -2,-0.5 2,-0.3 -0.577 19.1-178.0-100.2 151.8 34.0 27.3 7.3 6 6 A G E -ab 325 27A 0 20,-1.6 22,-3.0 318,-0.2 2,-0.3 -0.976 14.1-146.9-147.9 132.7 32.9 27.4 10.9 7 7 A Y E - b 0 28A 3 318,-2.4 321,-2.9 -2,-0.3 320,-0.5 -0.775 17.3-177.1 -96.5 144.3 34.1 25.6 14.1 8 8 A W E - b 0 29A 5 20,-2.5 22,-2.7 -2,-0.3 2,-0.3 -0.993 7.2-173.9-137.6 143.0 31.8 24.5 16.9 9 9 A F E > - b 0 30A 51 -2,-0.3 3,-1.7 20,-0.2 5,-0.4 -0.981 32.6-120.9-134.6 151.2 32.4 22.9 20.3 10 10 A K G > S+ 0 0 61 20,-0.5 3,-1.1 -2,-0.3 4,-0.3 0.884 109.2 55.4 -56.3 -45.7 29.8 21.6 22.8 11 11 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.372 82.2 93.3 -73.6 7.2 30.9 23.9 25.7 12 12 A S G < S- 0 0 25 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.1 0.574 96.9-118.6 -77.8 -11.9 30.5 27.0 23.6 13 13 A G S < S+ 0 0 75 -3,-1.1 2,-0.5 1,-0.2 -2,-0.1 0.665 78.7 114.3 80.4 15.2 26.9 27.6 24.8 14 14 A L - 0 0 33 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 -0.988 68.1-125.2-113.2 123.4 25.3 27.3 21.4 15 15 A A > - 0 0 52 -2,-0.5 3,-1.9 1,-0.1 4,-0.2 -0.399 17.8-123.2 -64.4 139.0 22.9 24.3 21.0 16 16 A L G > S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.893 112.7 55.5 -45.2 -48.3 23.8 22.0 18.1 17 17 A N G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.624 102.4 58.5 -64.8 -15.2 20.3 22.5 16.6 18 18 A N G < S+ 0 0 97 -3,-1.9 2,-0.5 2,-0.1 -1,-0.3 0.306 72.1 116.2-102.4 7.1 20.8 26.3 16.7 19 19 A I < - 0 0 2 -3,-1.7 2,-1.7 -4,-0.2 42,-0.1 -0.670 66.9-135.9 -71.2 121.5 23.8 26.4 14.4 20 20 A D > + 0 0 31 -2,-0.5 3,-1.6 1,-0.2 -1,-0.1 -0.629 28.2 178.1 -81.8 86.0 22.7 28.3 11.3 21 21 A S G > + 0 0 0 -2,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.532 66.0 80.4 -70.3 -6.4 24.3 26.0 8.8 22 22 A T G 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.662 87.8 58.1 -71.8 -15.6 23.0 28.0 5.9 23 23 A L G < S+ 0 0 11 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.309 105.8 56.7 -96.2 8.5 25.9 30.5 6.4 24 24 A F < - 0 0 7 -3,-1.1 -19,-0.2 1,-0.1 3,-0.1 -0.945 52.4-161.2-139.2 154.8 28.6 27.8 5.9 25 25 A T S S+ 0 0 12 -21,-2.6 41,-2.4 1,-0.3 2,-0.4 0.663 90.5 27.5 -99.7 -29.7 29.8 25.2 3.4 26 26 A H E -bc 5 66A 3 -22,-1.5 -20,-1.6 39,-0.2 2,-0.4 -0.998 65.9-163.8-138.8 129.4 31.8 23.2 6.0 27 27 A L E -bc 6 67A 0 39,-2.5 41,-2.8 -2,-0.4 2,-0.5 -0.961 10.4-149.0-117.5 134.5 31.3 22.9 9.7 28 28 A F E -bc 7 68A 0 -22,-3.0 -20,-2.5 -2,-0.4 2,-0.7 -0.892 4.1-151.7-108.3 121.4 34.0 21.5 12.0 29 29 A C E -bc 8 69A 0 39,-3.1 41,-2.7 -2,-0.5 2,-0.4 -0.847 30.6-122.1 -96.9 114.8 33.0 19.6 15.1 30 30 A A E +b 9 0A 2 -22,-2.7 -20,-0.5 -2,-0.7 41,-0.1 -0.900 61.0 7.8-118.8 135.5 35.6 20.0 17.8 31 31 A F E + 0 0 40 39,-0.4 13,-0.3 -2,-0.4 40,-0.3 0.554 39.4 172.1-131.0 144.6 37.2 18.0 19.3 32 32 A A E - c 0 71A 0 38,-3.4 40,-2.4 -3,-0.3 2,-0.3 -0.560 36.3-136.1 -76.5 155.0 37.8 14.3 19.0 33 33 A D E -I 42 0B 56 9,-2.7 9,-3.1 -2,-0.2 2,-0.6 -0.754 6.5-115.5-118.5 159.2 40.6 13.0 21.2 34 34 A L E -I 41 0B 18 -2,-0.3 7,-0.2 7,-0.2 43,-0.1 -0.854 18.9-146.9 -93.8 120.8 43.5 10.6 21.1 35 35 A N E >> -I 40 0B 36 5,-2.9 4,-2.1 -2,-0.6 5,-1.1 -0.813 11.9-161.3 -79.4 111.0 43.3 7.6 23.3 36 36 A P T 45S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.702 84.9 55.8 -76.6 -19.7 47.0 7.1 24.2 37 37 A Q T 45S+ 0 0 170 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.940 123.4 24.8 -69.8 -49.2 46.6 3.5 25.3 38 38 A L T 45S- 0 0 81 2,-0.2 -1,-0.1 55,-0.0 3,-0.1 0.635 94.9-134.0 -88.7 -17.3 45.1 2.4 22.0 39 39 A N T <5 + 0 0 26 -4,-2.1 2,-0.3 1,-0.2 58,-0.2 0.933 64.7 130.7 50.6 47.2 46.6 5.2 19.7 40 40 A Q E < -I 35 0B 59 -5,-1.1 -5,-2.9 57,-0.1 2,-0.4 -0.931 66.1-108.5-124.6 152.6 43.1 5.5 18.3 41 41 A L E +I 34 0B 7 53,-0.4 2,-0.3 52,-0.3 -7,-0.2 -0.668 47.6 170.6 -77.5 131.7 40.8 8.5 17.7 42 42 A I E -I 33 0B 61 -9,-3.1 -9,-2.7 -2,-0.4 2,-0.4 -0.857 32.8-125.4-135.6 169.7 37.9 8.5 20.2 43 43 A I - 0 0 24 -2,-0.3 -11,-0.1 -11,-0.2 5,-0.1 -0.988 34.1-117.9-120.0 130.9 35.1 10.8 21.3 44 44 A S > - 0 0 24 -2,-0.4 4,-1.5 -13,-0.3 3,-0.5 -0.186 24.0-111.5 -63.9 155.5 34.8 11.6 25.0 45 45 A P H > S+ 0 0 119 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.880 119.7 53.4 -53.1 -38.9 31.7 10.6 27.0 46 46 A E H 4 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.813 114.7 40.1 -66.8 -32.5 30.7 14.3 27.3 47 47 A N H > S+ 0 0 24 -3,-0.5 4,-2.8 1,-0.1 5,-0.3 0.613 92.7 90.4 -89.2 -15.6 30.9 14.8 23.5 48 48 A Q H X S+ 0 0 72 -4,-1.5 4,-2.1 -3,-0.2 5,-0.2 0.885 84.9 46.7 -53.1 -53.9 29.3 11.5 22.5 49 49 A D H X S+ 0 0 128 -4,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.892 119.7 38.3 -60.8 -43.8 25.6 12.5 22.3 50 50 A S H > S+ 0 0 19 -4,-0.3 4,-1.0 2,-0.2 3,-0.4 0.908 114.1 53.4 -75.7 -41.4 26.2 15.7 20.3 51 51 A F H X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 3,-0.3 0.871 106.4 53.8 -62.6 -38.2 29.0 14.4 18.0 52 52 A R H < S+ 0 0 120 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.811 118.0 36.1 -64.6 -30.4 26.8 11.5 16.9 53 53 A Q H X S+ 0 0 98 -4,-0.8 4,-2.6 -3,-0.4 5,-0.3 0.480 91.2 98.8 -99.8 -3.8 24.0 13.8 15.9 54 54 A F H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.3 5,-0.3 0.912 86.0 39.3 -51.8 -56.5 26.2 16.7 14.6 55 55 A T H X S+ 0 0 7 -4,-0.5 4,-2.0 50,-0.4 -1,-0.2 0.942 117.8 45.2 -65.3 -53.3 26.0 15.9 10.9 56 56 A S H > S+ 0 0 54 -4,-0.3 4,-0.6 49,-0.2 -1,-0.2 0.886 115.4 49.7 -59.3 -38.5 22.3 14.9 10.6 57 57 A T H >X S+ 0 0 7 -4,-2.6 3,-1.4 1,-0.2 4,-0.7 0.961 112.2 43.6 -67.3 -52.5 21.3 17.9 12.8 58 58 A V H 3X S+ 0 0 2 -4,-2.5 4,-1.3 -5,-0.3 3,-0.5 0.822 109.2 60.2 -64.6 -27.4 23.2 20.6 10.9 59 59 A Q H 3< S+ 0 0 73 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.637 90.0 70.9 -75.5 -13.6 22.1 19.1 7.6 60 60 A R H << S+ 0 0 158 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.906 107.0 36.0 -64.9 -41.8 18.4 19.6 8.6 61 61 A K H < S+ 0 0 110 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.767 139.7 15.6 -81.7 -28.5 18.9 23.4 8.1 62 62 A N >< - 0 0 24 -4,-1.3 3,-1.7 1,-0.1 -1,-0.3 -0.733 60.6-172.4-149.1 95.7 21.3 22.9 5.1 63 63 A P T 3 S+ 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.687 87.9 59.1 -61.8 -18.1 21.4 19.6 3.4 64 64 A S T 3 S+ 0 0 78 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.552 79.3 109.2 -89.4 -10.6 24.4 20.8 1.3 65 65 A V < - 0 0 0 -3,-1.7 2,-0.3 -7,-0.2 -39,-0.2 -0.407 58.7-147.1 -67.2 140.3 26.6 21.5 4.3 66 66 A K E -c 26 0A 60 -41,-2.4 -39,-2.5 -2,-0.1 2,-0.3 -0.842 11.1-142.1-109.2 150.0 29.6 19.2 4.8 67 67 A T E -c 27 0A 1 -2,-0.3 41,-1.8 39,-0.3 42,-1.1 -0.864 9.6-161.2-119.9 147.2 31.0 18.3 8.2 68 68 A F E -cd 28 109A 1 -41,-2.8 -39,-3.1 -2,-0.3 2,-0.7 -0.948 16.9-139.0-118.5 143.2 34.4 17.7 9.6 69 69 A L E -cd 29 110A 0 40,-2.3 42,-2.3 -2,-0.4 2,-0.2 -0.932 28.7-149.0 -95.2 113.6 35.5 15.9 12.8 70 70 A S E - d 0 111A 0 -41,-2.7 -38,-3.4 -2,-0.7 -39,-0.4 -0.619 9.9-146.2 -87.5 149.2 38.2 18.0 14.2 71 71 A I E -cd 32 112A 0 40,-2.5 42,-2.2 -40,-0.3 2,-1.0 -0.926 51.4 -19.5-127.4 136.2 41.0 16.4 16.3 72 72 A A E - d 0 113A 7 -40,-2.4 3,-0.3 -2,-0.4 42,-0.2 -0.622 69.5-179.4 80.5 -97.5 43.2 17.4 19.3 73 73 A G > - 0 0 1 40,-2.5 3,-1.5 -2,-1.0 42,-0.5 -0.247 50.0 -43.1 88.7-177.3 43.0 21.2 19.6 74 74 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 40,-0.1 40,-0.0 0.674 133.4 48.1 -63.8 -22.7 44.7 23.7 22.0 75 75 A R T 3 S+ 0 0 236 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.412 87.2 112.5 -99.8 0.0 44.0 21.7 25.2 76 76 A A S < S- 0 0 34 -3,-1.5 2,-1.0 1,-0.1 3,-0.1 -0.270 78.1-104.1 -74.2 158.9 45.3 18.3 23.9 77 77 A N >> - 0 0 120 1,-0.2 3,-1.1 -43,-0.1 4,-1.0 -0.749 29.4-164.0 -85.2 103.0 48.4 16.5 25.1 78 78 A S H 3> S+ 0 0 17 -2,-1.0 4,-2.2 1,-0.2 3,-0.3 0.825 84.1 62.8 -59.1 -34.0 50.9 17.1 22.4 79 79 A T H 3> S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.824 97.7 57.4 -61.7 -31.5 53.3 14.3 23.7 80 80 A A H <> S+ 0 0 15 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.892 108.5 46.0 -65.5 -39.1 50.6 11.7 23.0 81 81 A Y H X S+ 0 0 5 -4,-1.0 4,-2.6 -3,-0.3 -2,-0.2 0.871 110.1 53.9 -70.0 -38.9 50.5 12.8 19.4 82 82 A G H X S+ 0 0 8 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.909 111.0 46.4 -58.9 -44.9 54.3 12.8 19.2 83 83 A I H >< S+ 0 0 79 -4,-2.4 3,-0.9 2,-0.2 4,-0.5 0.938 112.8 49.7 -60.9 -48.9 54.2 9.2 20.5 84 84 A M H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.909 111.9 47.5 -57.9 -44.2 51.5 8.2 18.0 85 85 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.619 95.4 78.9 -74.8 -13.5 53.3 9.7 15.1 86 86 A R T << S+ 0 0 133 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.747 94.5 39.0 -67.9 -29.9 56.6 8.0 16.0 87 87 A Q S <> S- 0 0 70 -3,-0.8 4,-2.1 -4,-0.5 5,-0.2 -0.921 72.3-126.9-131.2 147.4 55.9 4.5 14.7 88 88 A P H > S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.887 109.7 52.8 -54.8 -41.7 54.2 2.9 11.7 89 89 A N H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.892 112.0 42.4 -67.9 -40.2 52.0 0.7 13.9 90 90 A S H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.820 113.6 53.0 -76.9 -32.0 50.6 3.6 16.0 91 91 A R H X S+ 0 0 17 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.930 109.4 50.7 -62.3 -43.6 50.1 5.8 13.0 92 92 A K H X S+ 0 0 126 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.903 109.5 48.0 -63.7 -43.7 48.1 3.0 11.4 93 93 A S H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -52,-0.3 0.881 114.8 47.1 -66.3 -36.6 45.8 2.5 14.3 94 94 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 -54,-0.2 -53,-0.4 0.951 114.9 45.6 -65.4 -50.7 45.2 6.2 14.5 95 95 A I H X S+ 0 0 5 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.944 115.2 46.5 -57.9 -51.7 44.6 6.5 10.7 96 96 A D H X S+ 0 0 51 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.908 113.6 47.6 -61.2 -45.0 42.3 3.5 10.6 97 97 A S H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.863 109.7 53.8 -65.8 -35.9 40.2 4.5 13.6 98 98 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 110.8 45.3 -65.5 -43.7 39.8 8.1 12.4 99 99 A I H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.922 114.3 48.8 -64.7 -45.9 38.4 6.9 9.0 100 100 A R H X S+ 0 0 136 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.911 113.1 47.6 -58.3 -45.0 36.1 4.4 10.7 101 101 A L H X S+ 0 0 24 -4,-2.4 4,-1.9 2,-0.2 6,-0.3 0.889 110.3 50.8 -68.4 -42.1 34.8 7.0 13.1 102 102 A A H X>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 4,-0.8 0.947 114.7 43.9 -58.5 -49.7 34.2 9.6 10.5 103 103 A R H ><5S+ 0 0 40 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.916 111.6 54.1 -62.7 -44.3 32.2 7.2 8.4 104 104 A Q H 3<5S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 116.1 37.8 -56.3 -40.2 30.3 5.8 11.4 105 105 A L H 3<5S- 0 0 18 -4,-1.9 -50,-0.4 -5,-0.1 -49,-0.2 0.392 114.8-109.9-100.8 1.4 29.2 9.3 12.4 106 106 A G T <<5 + 0 0 40 -3,-0.8 -39,-0.3 -4,-0.8 -3,-0.2 0.532 61.2 155.0 86.4 8.4 28.6 10.7 8.9 107 107 A F < - 0 0 2 -5,-1.8 -1,-0.3 -6,-0.3 -39,-0.2 -0.469 35.5-155.1 -69.5 138.7 31.5 13.2 8.8 108 108 A H S S+ 0 0 53 -41,-1.8 42,-2.5 -2,-0.2 2,-0.3 0.519 72.5 17.4 -89.9 -8.7 32.7 14.0 5.3 109 109 A G E -de 68 150A 0 -42,-1.1 -40,-2.3 40,-0.3 2,-0.4 -0.991 61.9-129.3-159.6 163.2 36.2 14.9 6.5 110 110 A L E -de 69 151A 0 40,-2.6 42,-2.5 -2,-0.3 2,-0.5 -0.961 18.8-163.5-119.1 137.0 38.9 14.8 9.2 111 111 A D E -de 70 152A 0 -42,-2.3 -40,-2.5 -2,-0.4 2,-0.6 -0.964 8.3-150.8-127.2 111.9 40.6 17.9 10.4 112 112 A L E +de 71 153A 4 40,-2.7 42,-1.9 -2,-0.5 2,-0.3 -0.752 15.2 178.6 -87.7 120.6 43.9 17.6 12.4 113 113 A D E +d 72 0A 3 -42,-2.2 -40,-2.5 -2,-0.6 2,-0.8 -0.551 10.8 167.6-118.9 62.3 44.5 20.4 14.9 114 114 A W - 0 0 8 -2,-0.3 2,-0.5 40,-0.2 -40,-0.1 -0.708 24.1-152.2 -82.2 109.0 47.8 19.3 16.5 115 115 A Q - 0 0 52 -2,-0.8 -37,-0.2 -42,-0.5 -39,-0.1 -0.780 68.5 -13.4-126.4 85.2 48.9 22.4 18.4 116 116 A Y - 0 0 54 -2,-0.5 -1,-0.3 -38,-0.1 -38,-0.0 0.671 50.1-140.3-142.8 162.5 51.8 21.8 18.2 117 117 A P - 0 0 1 0, 0.0 47,-0.1 0, 0.0 -38,-0.1 -0.349 32.3-145.1 -51.4 137.6 54.4 19.2 17.4 118 118 A L + 0 0 102 -40,-0.2 2,-0.3 -3,-0.0 -39,-0.1 0.625 67.5 22.7 -92.5 -16.3 57.1 19.6 20.0 119 119 A S S > S- 0 0 43 1,-0.1 4,-1.9 45,-0.0 5,-0.1 -0.912 80.2-103.8-142.5 168.2 60.3 18.9 18.1 120 120 A A H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.883 122.9 55.7 -59.0 -39.2 61.7 18.8 14.6 121 121 A A H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 105.9 50.5 -60.1 -41.8 61.4 15.0 14.8 122 122 A D H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.4 51.5 -63.1 -40.3 57.7 15.3 15.6 123 123 A M H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.922 110.2 48.3 -62.2 -45.6 57.3 17.7 12.6 124 124 A T H X S+ 0 0 92 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.923 112.3 49.5 -58.1 -45.3 59.0 15.1 10.3 125 125 A N H X S+ 0 0 36 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.827 104.9 57.2 -67.4 -33.4 56.7 12.4 11.7 126 126 A L H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.921 105.5 52.8 -56.9 -44.1 53.7 14.6 11.1 127 127 A G H X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.910 110.7 45.6 -56.9 -46.1 54.8 14.6 7.4 128 128 A T H X S+ 0 0 43 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.904 110.2 54.9 -63.6 -44.5 55.0 10.8 7.4 129 129 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.924 108.6 47.7 -55.2 -48.6 51.6 10.6 9.1 130 130 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.860 108.8 55.0 -64.6 -36.2 49.9 12.8 6.5 131 131 A N H X S+ 0 0 78 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.959 115.4 38.6 -55.6 -52.1 51.5 10.7 3.7 132 132 A E H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.843 113.5 55.1 -71.7 -36.1 50.1 7.5 5.1 133 133 A W H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.915 108.7 48.6 -62.3 -46.4 46.7 9.1 6.1 134 134 A R H X S+ 0 0 31 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.937 111.0 50.0 -59.6 -49.3 46.2 10.3 2.5 135 135 A T H X S+ 0 0 88 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.911 112.5 47.4 -55.5 -44.5 47.0 6.9 1.1 136 136 A A H X S+ 0 0 24 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.872 111.6 50.1 -68.4 -37.8 44.6 5.2 3.5 137 137 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 12,-0.3 0.931 112.3 47.5 -63.3 -46.5 41.8 7.7 2.7 138 138 A N H X S+ 0 0 65 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.894 112.3 50.2 -61.4 -41.3 42.3 7.2 -1.1 139 139 A T H X S+ 0 0 47 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.904 109.2 50.4 -64.7 -43.5 42.2 3.4 -0.6 140 140 A E H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 6,-0.4 0.876 110.6 50.5 -62.3 -39.2 39.0 3.5 1.5 141 141 A A H X>S+ 0 0 14 -4,-2.1 4,-1.6 2,-0.2 5,-0.6 0.942 113.4 45.2 -61.9 -48.8 37.4 5.7 -1.2 142 142 A R H <5S+ 0 0 166 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.6 45.2 -59.7 -46.6 38.5 3.1 -3.9 143 143 A N H <5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 119.8 38.9 -71.5 -31.8 37.4 0.1 -1.9 144 144 A S H <5S- 0 0 55 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.616 100.1-128.1 -93.9 -16.1 34.0 1.5 -0.8 145 145 A G T <5 + 0 0 71 -4,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.514 69.0 125.7 76.5 7.4 33.1 3.2 -4.1 146 146 A R S -J 164 0C 11 3,-2.9 3,-2.2 -2,-0.5 -45,-0.0 -0.998 65.9 -9.3-131.4 131.8 56.1 27.7 14.9 162 162 A N T 3 S- 0 0 130 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.840 130.6 -54.4 51.3 37.4 58.1 27.7 18.2 163 163 A G T 3 S+ 0 0 47 1,-0.2 2,-0.4 -44,-0.0 -1,-0.3 0.559 117.0 114.5 75.8 10.4 61.3 27.6 16.1 164 164 A L E < -J 161 0C 29 -3,-2.2 -3,-2.9 -47,-0.1 2,-0.4 -0.921 60.3-135.3-117.9 137.7 60.1 24.5 14.1 165 165 A N E -J 160 0C 97 -2,-0.4 -5,-0.2 -5,-0.2 -42,-0.0 -0.749 21.9-124.8 -88.6 133.6 59.2 24.2 10.4 166 166 A Y - 0 0 11 -7,-2.8 2,-2.2 -2,-0.4 3,-0.2 -0.334 33.1-102.4 -62.7 154.5 56.1 22.4 9.4 167 167 A P > + 0 0 24 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.525 53.3 176.1 -75.7 74.2 56.5 19.5 6.9 168 168 A V H > + 0 0 34 -2,-2.2 4,-2.5 1,-0.3 5,-0.2 0.785 68.8 54.9 -61.1 -34.0 55.3 21.9 4.2 169 169 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.924 111.0 46.2 -63.6 -44.2 55.7 19.5 1.2 170 170 A S H > S+ 0 0 11 -3,-0.5 4,-2.4 2,-0.2 5,-0.3 0.890 112.3 50.5 -66.3 -40.3 53.6 16.9 3.0 171 171 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.945 113.2 46.1 -59.9 -48.9 50.9 19.4 3.9 172 172 A A H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 119.3 40.0 -62.1 -40.3 50.7 20.7 0.3 173 173 A R H < S+ 0 0 181 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.856 123.9 33.4 -79.0 -36.6 50.6 17.2 -1.2 174 174 A N H < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.678 100.7 76.4-100.6 -23.7 48.3 15.4 1.2 175 175 A L < - 0 0 3 -4,-1.9 -23,-0.2 -5,-0.3 3,-0.1 -0.695 64.6-143.3 -97.0 145.7 45.8 17.9 2.5 176 176 A D S S- 0 0 54 -25,-3.0 2,-0.3 1,-0.3 -24,-0.2 0.876 85.7 -28.5 -69.2 -37.5 42.8 19.2 0.7 177 177 A W E -f 152 0A 13 -26,-0.7 -24,-0.9 -3,-0.0 2,-0.4 -0.971 59.6-116.8-162.8 169.4 43.5 22.5 2.4 178 178 A I E -fg 153 227A 2 48,-2.9 50,-2.1 -2,-0.3 2,-0.9 -0.954 19.1-138.0-113.0 137.1 45.0 24.1 5.5 179 179 A N E -fg 154 228A 0 -26,-3.1 -24,-2.4 -2,-0.4 2,-0.5 -0.835 23.2-144.7 -90.9 105.0 43.1 26.2 8.0 180 180 A L E -fg 155 229A 0 48,-3.0 50,-2.0 -2,-0.9 2,-2.0 -0.612 3.0-144.1 -78.3 118.2 45.3 29.1 8.8 181 181 A M E +f 156 0A 13 -26,-2.8 2,-1.9 -2,-0.5 -24,-0.6 -0.528 27.4 173.3 -82.0 76.5 45.0 30.2 12.5 182 182 A A + 0 0 1 -2,-2.0 2,-0.3 -26,-0.1 28,-0.2 -0.411 52.4 68.4 -85.3 59.4 45.4 33.9 11.7 183 183 A Y + 0 0 18 -2,-1.9 -26,-0.2 48,-0.1 16,-0.2 -0.922 63.7 59.9-161.2 178.0 44.6 34.9 15.3 184 184 A D + 0 0 60 -2,-0.3 15,-0.2 2,-0.2 3,-0.1 0.750 57.4 141.2 59.9 27.5 46.1 34.7 18.8 185 185 A F S S+ 0 0 27 13,-2.8 2,-0.3 1,-0.2 13,-0.1 0.888 77.7 10.4 -62.0 -38.6 49.1 36.7 17.6 186 186 A Y S S+ 0 0 32 12,-0.1 -1,-0.2 10,-0.1 -2,-0.2 -0.964 75.0 156.0-138.9 150.8 49.0 38.5 21.0 187 187 A G >> - 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0 0 3 -5,-2.3 -95,-0.2 1,-0.1 -1,-0.2 -0.315 53.4-114.1 -67.6 161.7 42.6 31.8 -1.5 321 321 A L - 0 0 26 -94,-2.0 -318,-1.9 -97,-0.7 2,-0.3 0.804 69.4 -80.7 -70.0 -32.9 40.2 28.9 -1.1 322 322 A G E -ah 3 228A 0 -95,-1.0 -93,-2.3 -320,-0.2 2,-0.3 -0.980 45.7 -80.1 167.0-150.3 38.1 30.7 1.5 323 323 A Y E -ah 4 229A 3 -320,-2.1 -318,-3.0 -2,-0.3 2,-0.3 -0.901 24.2-156.5-139.0 165.8 37.8 31.5 5.2 324 324 A F E -ah 5 230A 0 -95,-2.3 -93,-2.3 -2,-0.3 2,-0.4 -0.983 13.0-132.5-142.4 158.7 36.7 29.9 8.4 325 325 A A E -ah 6 231A 2 -320,-1.7 -318,-2.4 -2,-0.3 2,-0.5 -0.933 13.0-132.7-113.5 130.9 35.5 31.2 11.8 326 326 A W E S+ h 0 232A 52 -95,-2.0 -93,-2.8 -2,-0.4 -92,-0.2 -0.976 86.7 0.4-110.6 113.5 36.6 30.2 15.3 327 327 A H > - 0 0 15 -2,-0.5 3,-1.8 -320,-0.5 4,-0.3 0.732 53.1-157.4-132.8 162.8 34.0 29.8 16.6 328 328 A V G > S+ 0 0 2 -321,-2.9 3,-1.5 -3,-0.4 6,-0.2 0.810 95.8 59.5 -59.4 -36.3 30.4 30.0 15.6 329 329 A A G 3 S+ 0 0 24 -322,-0.3 -1,-0.3 1,-0.3 -60,-0.1 0.704 93.9 69.1 -63.6 -20.6 28.9 30.6 19.0 330 330 A G G < S+ 0 0 0 -3,-1.8 -61,-2.2 -62,-0.1 -1,-0.3 0.667 79.9 99.8 -72.7 -17.9 31.0 33.7 19.4 331 331 A D S < S- 0 0 11 -3,-1.5 2,-0.7 -4,-0.3 -62,-0.1 -0.207 76.5-122.1 -68.1 158.9 29.0 35.6 16.8 332 332 A Q S > S- 0 0 56 1,-0.2 3,-2.2 -63,-0.1 4,-0.1 -0.917 85.3 -33.5-105.1 107.5 26.2 38.1 17.6 333 333 A N T 3 S- 0 0 146 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.860 112.9 -64.1 46.4 43.5 23.0 37.0 16.0 334 334 A W T 3> S+ 0 0 38 -6,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.626 100.4 138.3 60.5 18.5 24.9 35.5 13.0 335 335 A G H <> S+ 0 0 29 -3,-2.2 4,-2.2 1,-0.2 5,-0.1 0.928 71.6 36.1 -60.1 -54.1 26.1 39.0 12.1 336 336 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.866 116.0 55.9 -70.2 -35.6 29.7 38.3 11.3 337 337 A S H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 111.6 43.1 -62.0 -43.1 28.9 35.0 9.7 338 338 A R H X S+ 0 0 95 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.893 112.5 53.2 -70.4 -41.4 26.4 36.6 7.3 339 339 A T H X S+ 0 0 24 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.955 112.4 45.3 -55.7 -50.5 28.8 39.5 6.6 340 340 A A H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.932 115.9 45.4 -60.3 -48.8 31.6 37.0 5.7 341 341 A S H X S+ 0 0 16 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.932 116.7 43.1 -62.7 -49.2 29.3 34.8 3.6 342 342 A Q H < S+ 0 0 140 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.816 111.5 54.9 -70.7 -32.1 27.6 37.6 1.6 343 343 A T H < S+ 0 0 24 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.943 113.0 42.7 -63.7 -47.5 30.9 39.5 1.2 344 344 A W H < S+ 0 0 11 -4,-2.3 2,-0.3 -5,-0.2 -2,-0.2 0.955 94.4 178.3 -59.6 -50.8 32.4 36.3 -0.4 345 345 A G < + 0 0 30 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.645 48.2 36.6 84.6-137.2 29.2 35.7 -2.4 346 346 A V S S- 0 0 104 -2,-0.3 -4,-0.0 1,-0.1 0, 0.0 -0.256 71.5-146.0 -57.2 132.2 29.0 32.8 -4.8 347 347 A S 0 0 31 -345,-0.1 -345,-2.9 -346,-0.0 -1,-0.1 0.028 360.0 360.0 -99.6 25.3 30.9 29.8 -3.3 348 348 A F 0 0 189 -347,-0.3 -2,-0.0 -345,-0.0 -345,-0.0 -0.984 360.0 360.0-151.8 360.0 32.3 28.2 -6.4