==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-98 2HIS . COMPND 2 MOLECULE: CELLULOMONAS FIMI FAMILY 10 BETA-1,4-GLYCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR V.NOTENBOOM,C.BIRSAN,M.NITZ,D.R.ROSE,R.A.J.WARREN,S.G.WITHER . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 0 1 0 1 2 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 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 A 0 0 95 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0-162.3 42.8 50.7 46.5 2 2 A T + 0 0 106 1,-0.2 2,-0.3 0, 0.0 3,-0.0 0.644 360.0 24.0-109.8 -26.0 39.7 49.1 48.1 3 3 A T S > S- 0 0 20 1,-0.1 4,-1.7 306,-0.0 -1,-0.2 -0.868 76.4-113.7-135.8 168.5 37.1 51.8 47.3 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.786 116.2 64.7 -75.3 -24.6 36.5 54.6 44.9 5 5 A K H > S+ 0 0 67 30,-0.4 4,-3.3 1,-0.2 -1,-0.2 0.966 106.3 40.6 -61.1 -46.1 36.9 56.9 47.9 6 6 A E H > S+ 0 0 97 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.853 112.9 54.6 -71.3 -33.8 40.6 55.8 48.3 7 7 A A H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.964 116.4 37.9 -62.9 -52.0 41.3 55.8 44.6 8 8 A A H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.7 0.921 114.8 55.4 -64.5 -44.7 40.1 59.5 44.4 9 9 A D H ><5S+ 0 0 80 -4,-3.3 3,-1.4 -5,-0.3 -2,-0.2 0.935 107.5 49.1 -53.6 -50.7 41.7 60.3 47.7 10 10 A G H 3<5S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 110.1 51.5 -61.4 -28.4 45.0 59.1 46.5 11 11 A A H 3<5S- 0 0 27 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.504 112.3-119.6 -86.6 -5.5 44.7 61.1 43.3 12 12 A G T <<5S+ 0 0 66 -3,-1.4 2,-0.2 -4,-0.7 -3,-0.2 0.818 74.9 120.0 71.3 29.0 43.9 64.3 45.3 13 13 A R < - 0 0 35 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.757 63.4-113.3-121.2 169.9 40.6 64.5 43.6 14 14 A D E -a 269 0A 23 254,-2.0 256,-2.5 -2,-0.2 2,-0.4 -0.787 20.5-173.9-101.8 147.4 36.9 64.5 44.6 15 15 A F E +a 270 0A 0 -2,-0.3 23,-2.0 254,-0.2 24,-0.9 -0.888 23.9 172.3-139.9 102.5 34.5 61.8 43.7 16 16 A G E -ab 271 39A 0 254,-2.1 256,-2.7 -2,-0.4 2,-0.3 -0.479 21.4-151.3-110.9-178.5 31.0 62.7 44.8 17 17 A F E -ab 272 40A 0 22,-0.8 24,-2.0 254,-0.2 2,-0.7 -0.985 28.6-105.3-149.6 156.3 27.4 61.6 44.6 18 18 A A E - b 0 41A 1 254,-1.1 2,-0.3 -2,-0.3 24,-0.2 -0.752 41.2-146.8 -87.6 114.4 23.9 63.2 44.6 19 19 A L E - b 0 42A 1 22,-3.2 24,-2.5 -2,-0.7 25,-0.5 -0.660 19.4-168.4 -89.6 136.0 22.3 62.5 48.0 20 20 A D > - 0 0 43 -2,-0.3 3,-1.9 22,-0.2 4,-0.2 -0.984 16.6-153.7-117.7 107.9 18.7 61.9 48.7 21 21 A P G > S+ 0 0 20 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.755 89.1 66.7 -53.8 -33.5 18.5 62.1 52.5 22 22 A N G > S+ 0 0 125 1,-0.2 3,-0.6 2,-0.1 -3,-0.0 0.698 94.8 60.2 -64.8 -18.4 15.4 59.9 52.6 23 23 A R G X S+ 0 0 87 -3,-1.9 3,-2.1 1,-0.2 7,-0.3 0.557 76.1 87.2 -88.0 -8.7 17.5 57.0 51.4 24 24 A L G < S+ 0 0 17 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.602 81.7 65.4 -67.1 -7.1 20.0 57.0 54.2 25 25 A S G < S+ 0 0 112 -3,-0.6 2,-0.8 -4,-0.2 -1,-0.3 0.427 80.1 85.9 -92.7 -4.2 17.5 54.7 56.0 26 26 A E S <> S- 0 0 57 -3,-2.1 4,-2.0 1,-0.2 3,-0.4 -0.916 77.8-146.9 -96.3 112.5 18.1 51.9 53.4 27 27 A A H > S+ 0 0 81 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.858 91.9 52.1 -49.7 -46.7 21.1 50.1 54.8 28 28 A Q H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 109.6 50.2 -61.1 -39.3 22.7 49.1 51.5 29 29 A Y H > S+ 0 0 7 -3,-0.4 4,-3.2 -6,-0.2 -2,-0.2 0.925 112.3 46.3 -65.0 -45.2 22.5 52.7 50.2 30 30 A K H X S+ 0 0 71 -4,-2.0 4,-3.3 -7,-0.3 5,-0.2 0.900 107.7 57.1 -65.9 -41.6 24.1 54.2 53.3 31 31 A A H X S+ 0 0 47 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.914 114.6 38.0 -54.8 -47.3 26.9 51.5 53.3 32 32 A I H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.947 115.2 53.0 -70.3 -48.7 27.9 52.5 49.8 33 33 A A H X S+ 0 0 0 -4,-3.2 4,-0.5 1,-0.2 -2,-0.2 0.890 112.0 47.8 -53.6 -41.3 27.3 56.2 50.4 34 34 A D H < S+ 0 0 53 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.930 122.0 29.7 -65.8 -47.7 29.6 56.0 53.5 35 35 A S H < S+ 0 0 50 -4,-1.9 -30,-0.4 -5,-0.2 -2,-0.2 0.720 114.9 49.8 -91.4 -23.9 32.5 54.1 51.9 36 36 A E H < S+ 0 0 12 -4,-2.5 2,-0.3 -32,-0.1 -1,-0.1 0.474 101.5 56.6 -98.8 -1.7 32.8 54.9 48.2 37 37 A F < - 0 0 0 -4,-0.5 -21,-0.2 -5,-0.3 -32,-0.1 -0.866 43.4-169.9-131.1 161.5 32.7 58.7 48.1 38 38 A N S S+ 0 0 18 -23,-2.0 38,-2.5 -2,-0.3 2,-0.3 0.322 78.9 44.6-126.5 1.7 34.5 61.8 49.5 39 39 A L E -bc 16 76A 0 -24,-0.9 -22,-0.8 36,-0.3 2,-0.3 -0.971 61.6-166.3-144.3 154.7 32.1 64.5 48.5 40 40 A V E -bc 17 77A 0 36,-2.0 38,-2.5 -2,-0.3 2,-0.3 -0.998 4.9-172.8-146.0 145.1 28.3 64.9 48.5 41 41 A V E -bc 18 78A 2 -24,-2.0 -22,-3.2 -2,-0.3 2,-0.5 -0.942 36.1-106.4-133.0 150.2 25.8 67.3 46.9 42 42 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.3 -22,-0.2 -0.711 21.7-152.3 -78.5 126.0 22.1 67.5 47.6 43 43 A E S S- 0 0 27 -24,-2.5 -1,-0.2 -2,-0.5 -23,-0.1 0.945 87.3 -17.3 -62.9 -46.8 20.2 66.0 44.7 44 44 A N S > S+ 0 0 87 -25,-0.5 3,-1.4 -3,-0.1 6,-0.3 0.539 114.3 92.5-133.0 -20.1 17.1 68.2 45.3 45 45 A A T 3 S+ 0 0 9 -26,-0.4 18,-0.4 1,-0.2 17,-0.1 0.636 89.7 42.6 -56.4 -25.8 17.3 69.5 48.9 46 46 A M T 3 S+ 0 0 1 34,-0.5 -1,-0.2 -4,-0.2 2,-0.0 0.296 85.0 113.4-109.6 12.0 19.1 72.8 48.2 47 47 A K S <> S- 0 0 19 -3,-1.4 4,-2.3 1,-0.1 3,-0.4 -0.311 80.7-102.2 -76.4 167.0 17.2 74.0 45.1 48 48 A W H > S+ 0 0 8 33,-0.3 4,-3.6 1,-0.2 40,-0.1 0.915 119.5 49.2 -56.9 -49.1 15.0 77.2 45.1 49 49 A D H 4 S+ 0 0 75 38,-0.9 -1,-0.2 1,-0.2 39,-0.1 0.773 114.8 45.3 -64.4 -28.6 11.7 75.3 45.3 50 50 A A H 4 S+ 0 0 35 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.838 122.0 37.7 -82.9 -34.0 12.9 73.1 48.1 51 51 A T H < S+ 0 0 0 -4,-2.3 8,-2.2 1,-0.2 -2,-0.2 0.777 127.6 26.6 -89.9 -31.2 14.4 76.0 50.0 52 52 A E < + 0 0 0 -4,-3.6 -1,-0.2 6,-0.2 6,-0.2 -0.581 61.3 160.8-137.5 76.2 12.0 78.9 49.5 53 53 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.696 77.7 22.8 -62.3 -33.8 8.4 77.5 48.8 54 54 A S B > S-I 57 0B 72 3,-0.8 3,-1.4 36,-0.1 2,-0.2 -0.876 112.3 -76.3-127.8 161.4 6.7 80.8 49.7 55 55 A Q T 3 S- 0 0 98 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.453 113.3 -6.2 -67.9 127.3 8.4 84.2 49.5 56 56 A N T 3 S+ 0 0 95 -2,-0.2 2,-0.8 1,-0.2 -1,-0.3 0.574 103.7 114.1 67.7 7.7 10.8 84.8 52.4 57 57 A S B < -I 54 0B 69 -3,-1.4 -3,-0.8 2,-0.0 2,-0.2 -0.898 53.7-165.6-109.8 95.4 9.6 81.6 54.1 58 58 A F - 0 0 51 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.2 -0.566 15.5-163.9 -86.4 148.7 12.7 79.4 54.0 59 59 A S + 0 0 64 -8,-2.2 4,-0.3 -2,-0.2 3,-0.2 -0.822 17.3 165.0-134.7 93.5 12.8 75.6 54.7 60 60 A F > + 0 0 34 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 0.343 43.6 109.6 -93.4 11.2 16.3 74.3 55.4 61 61 A G H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.915 86.1 32.2 -50.3 -61.5 15.2 70.9 56.8 62 62 A A H > S+ 0 0 52 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 118.4 56.9 -66.6 -38.5 16.3 68.7 54.0 63 63 A G H > S+ 0 0 0 -18,-0.4 4,-2.1 -4,-0.3 3,-0.3 0.945 107.5 46.9 -57.8 -49.2 19.2 70.9 53.2 64 64 A D H X S+ 0 0 54 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.827 106.5 58.8 -61.8 -36.5 20.6 70.7 56.8 65 65 A R H X S+ 0 0 103 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.887 109.2 43.9 -60.2 -42.2 20.2 66.9 56.8 66 66 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.906 114.7 49.7 -68.6 -44.0 22.5 66.6 53.8 67 67 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.852 110.8 49.5 -63.7 -37.1 24.9 69.1 55.3 68 68 A S H X S+ 0 0 56 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.902 107.9 54.3 -69.5 -39.5 24.9 67.2 58.6 69 69 A Y H X S+ 0 0 4 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.864 108.8 49.3 -60.8 -39.3 25.5 63.9 56.7 70 70 A A H X>S+ 0 0 3 -4,-1.8 5,-2.3 2,-0.2 4,-1.4 0.944 113.6 43.8 -64.9 -50.8 28.6 65.5 55.1 71 71 A A H <5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.849 112.7 53.4 -64.5 -35.5 30.1 66.8 58.4 72 72 A D H <5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.776 117.7 35.1 -71.1 -28.7 29.4 63.6 60.2 73 73 A T H <5S- 0 0 43 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.548 111.8-113.3-103.8 -7.4 31.1 61.4 57.7 74 74 A G T <5 + 0 0 67 -4,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.812 64.9 142.9 80.7 33.9 33.9 63.8 56.8 75 75 A K < - 0 0 14 -5,-2.3 -36,-0.3 -6,-0.2 -1,-0.2 -0.688 54.8-105.1-105.8 156.0 32.9 64.5 53.2 76 76 A E E -c 39 0A 61 -38,-2.5 -36,-2.0 -2,-0.2 2,-0.5 -0.484 33.7-132.0 -75.3 152.0 33.2 67.7 51.3 77 77 A L E -c 40 0A 7 41,-0.4 43,-2.8 -38,-0.2 44,-0.9 -0.947 17.6-166.8-112.8 123.4 29.9 69.6 50.7 78 78 A Y E -cd 41 121A 4 -38,-2.5 -36,-0.7 -2,-0.5 2,-0.4 -0.930 15.4-138.5-109.4 130.6 28.9 70.9 47.3 79 79 A G E - d 0 122A 0 42,-3.2 44,-1.7 -2,-0.5 2,-0.3 -0.773 14.4-154.4 -94.3 135.1 26.0 73.3 47.0 80 80 A H E - d 0 123A 3 -2,-0.4 -34,-0.5 1,-0.2 -38,-0.1 -0.907 51.3 -8.1-154.2 115.6 23.5 73.0 44.2 81 81 A T E + 0 0 2 42,-0.5 -33,-0.3 -2,-0.3 -1,-0.2 0.656 35.3 159.7-149.7 153.9 22.0 75.4 43.2 82 82 A L E S+ 0 0 1 41,-2.2 2,-0.5 1,-0.2 43,-0.2 0.949 86.8 26.2 -81.4 -52.4 21.1 79.0 43.9 83 83 A V E + d 0 125A 1 41,-2.9 43,-2.3 40,-0.3 2,-0.3 -0.958 68.8 141.9-121.2 118.3 19.9 80.3 40.5 84 84 A W E - d 0 126A 59 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.934 43.8-140.6-154.6 127.9 18.3 78.0 38.0 85 85 A H S > S+ 0 0 40 41,-0.5 3,-0.6 -2,-0.3 2,-0.2 0.812 82.5 79.4 -61.9 -32.5 15.4 78.8 35.7 86 86 A S T 3 S+ 0 0 55 1,-0.2 -2,-0.1 53,-0.0 53,-0.0 -0.535 99.3 15.2 -80.6 145.4 13.8 75.3 36.1 87 87 A Q T 3 S+ 0 0 46 1,-0.2 -38,-0.9 -2,-0.2 -1,-0.2 0.945 80.9 159.9 59.7 45.2 11.8 74.4 39.2 88 88 A L < - 0 0 5 -3,-0.6 -1,-0.2 -40,-0.1 5,-0.1 -0.890 49.3-106.5 -95.4 125.5 11.5 78.1 40.1 89 89 A P >> - 0 0 14 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.272 26.6-114.4 -54.6 144.7 8.5 78.4 42.5 90 90 A D H 3> S+ 0 0 107 1,-0.3 4,-1.7 2,-0.2 -36,-0.1 0.774 112.2 61.8 -52.8 -31.9 5.4 79.9 41.0 91 91 A W H 34 S+ 0 0 42 -38,-0.2 -1,-0.3 1,-0.2 -37,-0.1 0.873 104.9 47.9 -63.6 -36.0 5.5 83.0 43.3 92 92 A A H X4 S+ 0 0 0 -3,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.880 106.8 55.5 -71.4 -41.6 8.9 84.0 41.9 93 93 A K H 3< S+ 0 0 85 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 103.8 55.9 -58.8 -40.1 7.9 83.6 38.2 94 94 A N T 3< S+ 0 0 127 -4,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.320 92.8 91.3 -78.2 8.4 5.0 86.0 38.8 95 95 A L < - 0 0 32 -3,-1.6 2,-0.3 5,-0.1 49,-0.1 -0.724 57.4-172.8-100.3 157.6 7.3 88.7 40.0 96 96 A N >> - 0 0 117 -2,-0.3 3,-1.3 49,-0.0 4,-0.8 -0.939 38.3 -5.7-147.3 165.6 8.9 91.3 37.8 97 97 A G H >> S- 0 0 34 -2,-0.3 4,-2.0 1,-0.3 3,-0.6 -0.178 124.1 -8.4 55.2-135.5 11.4 94.2 37.5 98 98 A S H 3> S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.760 134.0 60.1 -65.1 -30.6 13.0 95.2 40.8 99 99 A A H <> S+ 0 0 47 -3,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.801 108.4 44.7 -68.3 -30.5 10.7 93.0 42.9 100 100 A F H < S+ 0 0 94 -4,-2.2 3,-0.6 -5,-0.3 -2,-0.2 0.865 106.2 53.6 -68.0 -36.8 24.4 82.7 54.6 114 114 A H H 3< S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.8 36.5 -65.0 -41.4 22.6 79.6 56.1 115 115 A F T >X S+ 0 0 0 -4,-1.3 3,-2.6 -5,-0.1 4,-2.1 0.336 83.9 139.3 -95.9 8.0 25.2 77.2 54.8 116 116 A E T <4 S+ 0 0 86 -3,-0.6 4,-0.1 -4,-0.4 -3,-0.1 -0.259 74.8 17.0 -55.6 130.2 28.2 79.5 55.1 117 117 A G T 34 S+ 0 0 69 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.217 123.2 63.4 91.5 -17.0 31.2 77.5 56.4 118 118 A K T <4 S+ 0 0 119 -3,-2.6 -41,-0.4 1,-0.1 2,-0.4 0.800 88.3 65.2-101.8 -52.4 29.6 74.2 55.5 119 119 A V < - 0 0 5 -4,-2.1 -2,-0.5 -7,-0.2 -41,-0.2 -0.628 61.1-168.3 -75.1 127.8 29.3 74.4 51.7 120 120 A A S S+ 0 0 39 -43,-2.8 45,-2.4 -2,-0.4 2,-0.3 0.822 72.4 11.4 -86.1 -36.5 32.7 74.5 50.1 121 121 A S E -de 78 165A 6 -44,-0.9 -42,-3.2 43,-0.3 2,-0.3 -0.993 69.4-150.8-141.4 147.0 31.6 75.5 46.6 122 122 A W E -de 79 166A 2 43,-3.0 45,-2.8 -2,-0.3 2,-1.0 -0.888 19.3-135.4-121.6 146.6 28.3 76.6 45.2 123 123 A D E +de 80 167A 1 -44,-1.7 -41,-2.2 -2,-0.3 -42,-0.5 -0.919 34.7 176.1 -91.9 101.8 26.7 76.3 41.8 124 124 A V E + 0 0 0 43,-2.6 -41,-2.9 -2,-1.0 2,-0.5 0.962 64.9 19.1 -74.3 -60.9 25.6 79.9 41.7 125 125 A V E S-de 83 168A 1 42,-0.9 44,-2.8 -3,-0.2 2,-0.4 -0.943 72.0-168.1-116.0 134.1 24.1 80.0 38.3 126 126 A N E -de 84 169A 3 -43,-2.3 -41,-0.5 -2,-0.5 44,-0.2 -0.958 63.8 -4.2-122.6 135.3 23.0 76.8 36.4 127 127 A A + 0 0 2 42,-1.7 -42,-0.2 -2,-0.4 -1,-0.2 0.890 69.8 150.5 53.7 54.3 22.0 76.5 32.7 128 128 A A + 0 0 1 41,-0.5 8,-2.9 -3,-0.2 2,-0.2 0.742 51.1 75.2 -85.0 -23.5 22.2 80.2 31.7 129 129 A F B S-J 135 0C 6 6,-0.3 2,-0.3 42,-0.1 6,-0.3 -0.514 76.6-123.9 -93.7 156.7 23.2 79.5 28.0 130 130 A A > - 0 0 21 4,-2.2 3,-1.7 -2,-0.2 2,-0.4 -0.718 30.7-106.6 -96.1 145.9 21.1 78.2 25.1 131 131 A D T 3 S+ 0 0 81 -2,-0.3 41,-0.1 1,-0.3 42,-0.0 -0.612 115.0 37.4 -68.3 122.2 22.0 75.1 23.1 132 132 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.3 2,-0.0 47,-0.1 0.534 127.9 -76.8 108.6 10.1 23.2 76.7 20.0 133 133 A G S < S+ 0 0 23 -3,-1.7 46,-0.2 1,-0.2 2,-0.1 0.177 90.8 66.3 83.9 157.3 25.0 79.6 21.7 134 134 A G S S- 0 0 37 44,-0.4 -4,-2.2 45,-0.1 2,-0.2 -0.331 91.6 -37.4 87.3-175.9 23.8 82.9 23.2 135 135 A R B -J 129 0C 60 -6,-0.3 -6,-0.3 1,-0.1 2,-0.1 -0.583 68.5 -94.1 -87.6 148.3 21.6 83.3 26.3 136 136 A R - 0 0 19 -8,-2.9 3,-0.4 -2,-0.2 -1,-0.1 -0.376 31.5-159.5 -61.9 127.0 18.8 80.9 27.3 137 137 A Q S S+ 0 0 179 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.795 83.9 54.3 -79.6 -31.8 15.6 82.3 26.0 138 138 A D S S+ 0 0 97 4,-0.1 2,-0.6 5,-0.0 -1,-0.2 0.267 78.8 113.3 -89.9 12.3 13.2 80.5 28.3 139 139 A S > - 0 0 1 -3,-0.4 4,-2.7 1,-0.1 3,-0.5 -0.765 59.8-148.4 -89.1 123.6 14.8 81.5 31.6 140 140 A A H > S+ 0 0 16 -2,-0.6 4,-2.0 1,-0.3 5,-0.3 0.773 102.4 55.5 -56.7 -28.8 12.6 83.7 33.8 141 141 A F H > S+ 0 0 1 2,-0.2 4,-2.3 3,-0.2 5,-0.4 0.913 109.9 43.7 -70.8 -41.9 15.9 85.3 35.0 142 142 A Q H > S+ 0 0 28 -3,-0.5 4,-1.6 3,-0.2 -2,-0.2 0.907 116.3 46.9 -70.0 -43.4 16.9 86.1 31.4 143 143 A Q H < S+ 0 0 126 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.948 121.3 34.8 -62.4 -55.0 13.5 87.5 30.4 144 144 A K H < S+ 0 0 65 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.900 130.6 25.9 -73.4 -37.3 13.0 89.6 33.4 145 145 A L H < S- 0 0 40 -4,-2.3 3,-0.4 -5,-0.3 -3,-0.2 0.638 90.7-140.2-107.2 -14.4 16.5 90.8 34.2 146 146 A G >< - 0 0 27 -4,-1.6 3,-1.5 -5,-0.4 -1,-0.2 -0.220 53.7 -36.1 84.7-175.3 18.5 90.8 31.1 147 147 A N T > S+ 0 0 103 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.712 125.8 66.5 -55.8 -31.2 22.2 89.8 30.6 148 148 A G T 3> + 0 0 40 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.415 69.2 92.1 -77.2 1.2 23.4 91.1 34.0 149 149 A Y H <> S+ 0 0 5 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.909 84.1 56.8 -63.1 -34.1 21.5 88.8 36.3 150 150 A I H <> S+ 0 0 0 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.906 107.3 45.2 -61.5 -48.0 24.5 86.4 36.3 151 151 A E H > S+ 0 0 42 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.829 111.9 54.4 -65.1 -34.2 27.0 89.0 37.6 152 152 A T H X S+ 0 0 42 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.916 108.1 48.6 -64.4 -47.2 24.5 90.2 40.2 153 153 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.888 111.4 49.3 -61.1 -44.0 24.0 86.7 41.6 154 154 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.803 111.0 49.6 -67.0 -32.4 27.8 86.1 41.8 155 155 A R H X S+ 0 0 112 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.790 112.7 47.4 -76.7 -27.9 28.3 89.4 43.6 156 156 A A H X S+ 0 0 11 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.881 110.4 51.8 -78.8 -38.3 25.6 88.6 46.1 157 157 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 3,-0.2 0.932 110.9 47.5 -63.1 -45.7 26.8 85.1 46.7 158 158 A R H < S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.791 109.9 54.2 -66.1 -28.3 30.3 86.4 47.4 159 159 A A H < S+ 0 0 80 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.2 41.6 -73.8 -34.4 28.9 89.0 49.7 160 160 A A H < S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.780 129.6 25.2 -82.0 -32.8 27.0 86.5 51.8 161 161 A D < - 0 0 2 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.3 -0.771 65.0-170.7-139.7 96.2 29.8 83.9 51.9 162 162 A P S S+ 0 0 79 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.557 82.8 36.3 -61.7 -15.6 33.4 85.3 51.5 163 163 A T S S+ 0 0 110 2,-0.1 -5,-0.1 -42,-0.0 3,-0.0 0.648 83.1 104.2-117.0 -17.2 35.1 81.9 51.1 164 164 A A S S- 0 0 3 -3,-0.4 2,-0.4 -7,-0.1 -43,-0.3 -0.355 75.9-112.3 -66.1 145.5 33.0 79.5 49.2 165 165 A K E -e 121 0A 96 -45,-2.4 -43,-3.0 33,-0.1 2,-0.6 -0.686 28.7-141.5 -79.4 129.9 34.1 78.8 45.6 166 166 A L E -e 122 0A 1 -2,-0.4 32,-2.8 -45,-0.2 33,-1.7 -0.872 22.4-171.6-100.1 117.6 31.5 80.3 43.2 167 167 A a E -ef 123 199A 1 -45,-2.8 -43,-2.6 -2,-0.6 -42,-0.9 -0.802 22.5-145.8-111.8 151.2 30.8 78.2 40.1 168 168 A I E -ef 125 200A 1 31,-1.4 33,-3.0 -2,-0.3 2,-0.3 -0.943 29.1-161.7-108.6 128.8 28.9 78.6 36.9 169 169 A N E +ef 126 201A 0 -44,-2.8 -42,-1.7 -2,-0.5 -41,-0.5 -0.865 17.3 156.5-117.8 148.5 27.4 75.3 35.8 170 170 A D E - f 0 202A 0 31,-1.1 33,-2.8 -2,-0.3 2,-0.3 -0.989 28.5-128.1-162.8 164.2 26.0 74.0 32.4 171 171 A Y S S+ 0 0 63 -2,-0.3 -42,-0.1 31,-0.2 31,-0.0 -0.858 84.7 31.0-117.7 156.2 25.3 71.0 30.3 172 172 A N S S+ 0 0 79 -2,-0.3 8,-0.2 1,-0.1 7,-0.2 0.805 88.1 105.3 67.6 31.0 26.2 70.2 26.7 173 173 A V + 0 0 0 -3,-0.2 4,-0.1 6,-0.1 -1,-0.1 0.059 39.0 108.1-123.7 19.0 29.4 72.2 27.1 174 174 A E S S+ 0 0 6 2,-0.1 2,-0.2 44,-0.0 44,-0.2 0.830 82.0 35.0 -66.8 -36.0 31.7 69.1 27.4 175 175 A G S S- 0 0 5 43,-0.1 2,-0.5 42,-0.1 5,-0.3 -0.730 103.8 -79.3-117.2 169.5 33.2 69.7 24.0 176 176 A I S S+ 0 0 85 -2,-0.2 2,-0.3 38,-0.1 -2,-0.1 -0.543 75.8 122.0 -70.4 117.2 34.1 72.8 21.9 177 177 A N S > S- 0 0 61 -2,-0.5 4,-1.4 -4,-0.1 5,-0.1 -0.887 76.7 -73.3-157.9-173.4 30.8 74.0 20.4 178 178 A A H > S+ 0 0 53 -2,-0.3 4,-0.7 1,-0.2 -44,-0.4 0.692 126.0 48.1 -67.2 -26.8 28.7 77.1 20.3 179 179 A K H > S+ 0 0 4 -7,-0.2 4,-1.6 -46,-0.2 -1,-0.2 0.850 114.7 43.3 -83.4 -38.8 27.4 76.8 23.8 180 180 A S H > S+ 0 0 0 -5,-0.3 4,-2.1 -8,-0.2 -2,-0.2 0.714 110.3 57.9 -77.7 -22.3 30.7 76.2 25.5 181 181 A N H X S+ 0 0 66 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.843 108.0 46.7 -73.7 -33.8 32.2 79.0 23.4 182 182 A S H X S+ 0 0 29 -4,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.876 112.6 49.0 -72.2 -42.8 29.7 81.4 24.8 183 183 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 3,-0.5 0.919 108.2 55.1 -60.6 -46.1 30.3 80.1 28.4 184 184 A Y H X S+ 0 0 60 -4,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.812 106.4 51.2 -57.0 -36.1 34.0 80.5 27.8 185 185 A D H X S+ 0 0 88 -4,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.770 109.3 49.7 -72.8 -33.6 33.5 84.2 26.8 186 186 A L H X S+ 0 0 14 -4,-1.3 4,-2.1 -3,-0.5 -2,-0.2 0.933 112.1 48.2 -69.7 -46.0 31.5 84.9 29.9 187 187 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.886 111.8 49.2 -61.8 -41.6 34.2 83.3 32.1 188 188 A K H X S+ 0 0 115 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.910 113.4 47.3 -64.0 -43.6 37.0 85.3 30.3 189 189 A D H X S+ 0 0 65 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.786 110.5 51.5 -66.7 -37.6 35.0 88.5 30.8 190 190 A F H X>S+ 0 0 5 -4,-2.1 5,-2.6 2,-0.2 4,-1.1 0.946 111.6 45.8 -67.4 -47.1 34.3 87.9 34.4 191 191 A K H <5S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.822 113.5 51.0 -65.0 -32.9 37.9 87.2 35.3 192 192 A A H <5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.5 41.0 -70.6 -41.7 39.0 90.3 33.3 193 193 A R H <5S- 0 0 121 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.524 114.7-114.0 -84.4 -7.5 36.5 92.5 35.1 194 194 A G T <5 + 0 0 54 -4,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.713 56.4 161.8 82.3 18.0 37.1 90.9 38.5 195 195 A V < - 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