==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-96 1EXP . COMPND 2 MOLECULE: BETA-1,4-D-GLYCANASE CEX-CD; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR A.WHITE,D.TULL,K.L.JOHNS,S.G.WITHERS,D.R.ROSE . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11962.0 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 34.3 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 1 0 2 1 0 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 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 0 1 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 91 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 161.9 42.6 51.0 47.1 2 2 A T + 0 0 102 1,-0.2 2,-0.3 307,-0.0 3,-0.1 0.352 360.0 40.9-126.6 -3.9 39.4 48.9 47.9 3 3 A T S > S- 0 0 21 1,-0.1 4,-1.7 306,-0.1 -1,-0.2 -0.952 83.1-118.6-138.8 158.1 36.8 51.7 47.7 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.858 114.6 64.6 -67.7 -30.8 36.5 54.5 45.2 5 5 A K H > S+ 0 0 68 30,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.945 104.4 45.2 -56.4 -46.0 36.8 56.9 48.2 6 6 A E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 112.1 50.4 -66.8 -38.8 40.3 55.5 48.7 7 7 A A H X S+ 0 0 14 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.955 115.5 42.1 -64.9 -49.6 41.3 55.8 45.1 8 8 A A H <>S+ 0 0 0 -4,-3.1 5,-2.7 2,-0.2 4,-0.4 0.875 112.1 56.4 -65.4 -38.1 40.0 59.4 44.8 9 9 A D H ><5S+ 0 0 81 -4,-2.6 3,-1.7 -5,-0.3 -2,-0.2 0.963 108.9 45.4 -57.4 -50.9 41.6 60.2 48.2 10 10 A G H 3<5S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.2 56.5 -63.8 -28.4 45.0 59.1 47.0 11 11 A A T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.528 113.8-119.4 -79.4 -4.9 44.6 61.0 43.7 12 12 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.761 74.7 118.2 72.9 24.9 44.0 64.1 45.7 13 13 A R < - 0 0 35 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.782 65.0-106.9-126.2 169.1 40.6 64.4 44.2 14 14 A D E -a 269 0A 21 254,-2.4 256,-2.5 -2,-0.3 2,-0.3 -0.620 22.4-179.0 -93.3 143.4 36.9 64.5 45.0 15 15 A F E +a 270 0A 1 -2,-0.3 23,-2.6 254,-0.2 24,-1.1 -0.894 24.1 167.2-141.3 106.4 34.5 61.7 44.2 16 16 A G E -ab 271 39A 0 254,-2.0 256,-3.0 -2,-0.3 2,-0.3 -0.674 23.8-147.6-121.3 176.2 30.9 62.6 45.2 17 17 A F E -ab 272 40A 0 22,-1.1 24,-1.9 254,-0.2 2,-0.7 -0.974 28.1-107.6-143.6 156.4 27.3 61.6 44.9 18 18 A A E - b 0 41A 1 254,-1.0 2,-0.4 -2,-0.3 24,-0.2 -0.752 41.8-149.7 -84.8 114.1 23.9 63.2 44.8 19 19 A L E - b 0 42A 0 22,-2.9 24,-2.2 -2,-0.7 25,-0.5 -0.744 18.6-165.1 -94.3 130.9 22.2 62.4 48.2 20 20 A D > - 0 0 36 -2,-0.4 3,-2.1 22,-0.2 4,-0.3 -0.970 17.8-151.5-106.0 110.2 18.4 62.0 48.8 21 21 A P G > S+ 0 0 21 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.852 89.8 67.3 -53.9 -32.4 18.3 62.2 52.6 22 22 A N G > S+ 0 0 124 1,-0.3 3,-0.6 2,-0.1 -3,-0.0 0.693 93.3 60.7 -63.9 -14.0 15.2 60.1 52.8 23 23 A R G X S+ 0 0 79 -3,-2.1 3,-2.2 1,-0.2 7,-0.3 0.579 74.7 89.4 -88.7 -14.6 17.2 57.1 51.5 24 24 A L G < S+ 0 0 18 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.676 77.9 68.4 -57.9 -13.1 19.6 57.0 54.5 25 25 A S G < S+ 0 0 114 -3,-0.6 2,-0.7 -4,-0.2 -1,-0.3 0.374 80.9 85.3 -87.8 3.9 17.2 54.7 56.2 26 26 A E S <> S- 0 0 49 -3,-2.2 4,-2.6 1,-0.1 3,-0.3 -0.936 75.5-147.6-107.8 112.6 18.0 51.9 53.6 27 27 A A H > S+ 0 0 84 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.812 94.4 49.2 -51.9 -41.9 21.0 50.1 54.9 28 28 A Q H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 111.7 50.8 -68.8 -36.9 22.5 49.2 51.6 29 29 A Y H > S+ 0 0 8 -3,-0.3 4,-2.7 1,-0.2 3,-0.3 0.977 114.3 43.1 -63.5 -51.4 22.1 52.8 50.4 30 30 A K H X S+ 0 0 78 -4,-2.6 4,-3.0 -7,-0.3 5,-0.2 0.870 109.0 58.0 -61.5 -37.7 23.8 54.2 53.5 31 31 A A H X S+ 0 0 41 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.893 111.7 41.1 -58.3 -44.9 26.5 51.5 53.5 32 32 A I H X S+ 0 0 11 -4,-1.9 4,-2.8 -3,-0.3 5,-0.3 0.961 113.6 52.8 -69.9 -47.5 27.6 52.6 50.0 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.911 112.3 45.9 -54.5 -43.6 27.2 56.3 50.7 34 34 A D H < S+ 0 0 49 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.917 121.5 35.4 -65.8 -42.3 29.4 56.0 53.8 35 35 A S H < S+ 0 0 53 -4,-1.8 -30,-0.3 -5,-0.2 -2,-0.2 0.779 115.9 43.4 -86.5 -32.1 32.2 53.9 52.2 36 36 A E H < S+ 0 0 15 -4,-2.8 2,-0.3 -5,-0.1 -3,-0.1 0.559 100.4 55.6-100.3 -6.2 32.6 55.0 48.6 37 37 A F < - 0 0 0 -4,-0.8 -21,-0.2 -5,-0.3 -32,-0.1 -0.896 43.0-167.1-129.1 158.0 32.5 58.8 48.4 38 38 A N S S+ 0 0 18 -23,-2.6 38,-2.6 -2,-0.3 2,-0.3 0.254 79.6 47.5-120.6 7.0 34.3 61.7 49.9 39 39 A L E -bc 16 76A 0 -24,-1.1 -22,-1.1 36,-0.3 2,-0.3 -0.987 62.0-165.9-145.4 154.1 32.0 64.5 48.8 40 40 A V E -bc 17 77A 0 36,-2.0 38,-2.6 -2,-0.3 2,-0.3 -0.980 4.0-175.1-143.4 144.1 28.2 64.8 49.0 41 41 A V E -bc 18 78A 2 -24,-1.9 -22,-2.9 -2,-0.3 2,-0.5 -0.986 35.2-106.7-136.9 150.2 25.8 67.2 47.3 42 42 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.3 -22,-0.2 -0.677 19.4-154.9 -81.4 127.7 22.0 67.5 47.9 43 43 A E S S- 0 0 27 -24,-2.2 -1,-0.2 -2,-0.5 -23,-0.1 0.931 88.0 -18.3 -62.2 -48.1 20.1 66.1 44.9 44 44 A N S > S+ 0 0 81 -25,-0.5 3,-1.5 -3,-0.1 6,-0.3 0.592 113.9 91.8-132.6 -22.3 17.0 68.3 45.7 45 45 A A T 3 S+ 0 0 7 -26,-0.3 18,-0.4 1,-0.2 19,-0.1 0.601 91.6 43.6 -56.5 -20.6 17.3 69.5 49.3 46 46 A M T 3 S+ 0 0 1 34,-0.6 -1,-0.2 -4,-0.2 35,-0.1 0.399 85.9 107.6-112.6 6.8 19.1 72.8 48.6 47 47 A K S <> S- 0 0 18 -3,-1.5 4,-1.1 33,-0.1 3,-0.4 -0.214 84.0 -97.5 -76.2 174.2 17.2 74.1 45.5 48 48 A W H > S+ 0 0 10 33,-0.3 4,-2.6 1,-0.2 3,-0.5 0.876 119.3 53.7 -62.1 -44.9 14.9 77.1 45.6 49 49 A D H 4 S+ 0 0 72 38,-1.1 -1,-0.2 1,-0.2 39,-0.1 0.837 112.8 43.9 -63.0 -30.1 11.6 75.2 45.9 50 50 A A H 4 S+ 0 0 34 -3,-0.4 12,-0.2 -6,-0.3 -1,-0.2 0.655 120.8 39.3 -89.3 -13.9 12.8 73.2 48.9 51 51 A T H < S+ 0 0 0 -4,-1.1 8,-2.1 -3,-0.5 -2,-0.2 0.715 127.7 24.1-107.9 -27.6 14.4 76.2 50.7 52 52 A E < + 0 0 0 -4,-2.6 6,-0.2 6,-0.2 -1,-0.1 -0.439 65.0 164.6-139.5 64.3 12.0 79.1 50.1 53 53 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.585 77.1 21.4 -55.5 -17.9 8.6 77.4 49.4 54 54 A S B > S-J 57 0B 66 3,-0.7 3,-2.4 -3,-0.1 36,-0.0 -0.972 112.1 -72.4-150.2 149.2 6.9 80.7 50.0 55 55 A Q T 3 S- 0 0 80 -2,-0.3 3,-0.0 1,-0.3 48,-0.0 -0.205 115.1 -7.2 -52.1 128.5 8.4 84.2 49.9 56 56 A N T 3 S+ 0 0 97 1,-0.1 2,-0.7 -4,-0.1 -1,-0.3 0.516 104.4 113.7 62.7 9.0 10.6 84.8 52.8 57 57 A S B < -J 54 0B 66 -3,-2.4 -3,-0.7 2,-0.0 2,-0.2 -0.857 52.0-162.2-112.3 96.5 9.7 81.6 54.6 58 58 A F - 0 0 55 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.496 12.4-166.1 -83.6 140.9 12.8 79.4 54.6 59 59 A S + 0 0 59 -8,-2.1 4,-0.3 -2,-0.2 3,-0.2 -0.887 15.2 166.8-125.6 96.7 12.7 75.7 55.2 60 60 A F > + 0 0 32 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 0.435 44.4 104.7 -95.8 8.5 16.2 74.4 56.0 61 61 A G H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 84.8 36.3 -51.5 -64.4 15.2 71.0 57.2 62 62 A A H > S+ 0 0 47 -12,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 119.1 53.1 -59.4 -38.5 16.1 68.7 54.3 63 63 A G H > S+ 0 0 0 -18,-0.4 4,-2.5 -4,-0.3 3,-0.2 0.946 108.7 47.6 -64.1 -47.2 19.1 70.9 53.6 64 64 A D H X S+ 0 0 55 -4,-3.5 4,-2.9 1,-0.2 5,-0.3 0.867 105.5 59.8 -61.1 -39.3 20.4 70.6 57.2 65 65 A R H X S+ 0 0 109 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.912 109.7 43.4 -56.5 -40.8 19.9 66.9 57.1 66 66 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.929 113.0 50.8 -71.4 -40.4 22.4 66.7 54.1 67 67 A A H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.896 111.4 49.2 -65.4 -33.7 24.8 69.1 55.7 68 68 A S H X S+ 0 0 55 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.922 106.7 55.5 -70.3 -44.0 24.8 67.0 58.9 69 69 A Y H X S+ 0 0 7 -4,-2.1 4,-1.6 -5,-0.3 6,-0.3 0.917 109.1 47.1 -53.3 -46.3 25.3 63.9 57.1 70 70 A A H X>S+ 0 0 3 -4,-2.0 5,-2.1 2,-0.2 4,-0.8 0.938 113.7 46.4 -60.3 -52.0 28.5 65.3 55.5 71 71 A A H <5S+ 0 0 78 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.898 112.9 51.3 -59.9 -41.3 29.9 66.7 58.7 72 72 A D H <5S+ 0 0 128 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 116.9 37.4 -67.3 -30.4 29.2 63.4 60.6 73 73 A T H <5S- 0 0 40 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.413 111.7-113.2-104.4 5.3 30.9 61.2 58.0 74 74 A G T <5 + 0 0 69 -4,-0.8 2,-0.2 -3,-0.5 -3,-0.2 0.721 66.0 144.8 74.6 21.6 33.8 63.6 57.2 75 75 A K < - 0 0 14 -5,-2.1 -36,-0.3 -6,-0.3 -1,-0.2 -0.613 53.6-110.6 -93.7 151.5 32.7 64.3 53.6 76 76 A E E -c 39 0A 57 -38,-2.6 -36,-2.0 -2,-0.2 2,-0.5 -0.429 32.7-135.6 -72.2 151.5 33.1 67.6 51.7 77 77 A L E -c 40 0A 7 41,-0.4 43,-2.8 -38,-0.2 44,-0.7 -0.980 15.7-166.0-118.1 125.7 29.8 69.3 51.0 78 78 A Y E -cd 41 121A 4 -38,-2.6 -36,-0.7 -2,-0.5 2,-0.5 -0.861 19.3-131.1-108.2 135.0 28.9 70.9 47.6 79 79 A G E - d 0 122A 0 42,-3.5 44,-2.5 -2,-0.4 2,-0.4 -0.786 15.6-150.7 -94.8 131.6 26.0 73.3 47.4 80 80 A H - 0 0 2 -2,-0.5 -34,-0.6 1,-0.2 -33,-0.1 -0.954 53.7 -11.1-145.8 117.7 23.3 73.0 44.7 81 81 A T + 0 0 2 42,-0.5 -33,-0.3 -2,-0.4 -1,-0.2 0.588 36.2 161.6-152.9 146.0 21.9 75.4 43.7 82 82 A L S S+ 0 0 1 41,-2.1 2,-0.5 -3,-0.2 43,-0.2 0.971 86.1 23.1 -70.9 -57.4 21.2 79.0 44.3 83 83 A V E S+e 125 0A 2 41,-2.0 43,-1.9 40,-0.3 2,-0.3 -0.962 72.9 144.0-116.8 127.1 19.8 80.5 41.0 84 84 A W E -e 126 0A 41 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.943 46.8-135.8-162.1 133.1 18.2 78.1 38.5 85 85 A H S S+ 0 0 27 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.762 86.4 68.8 -64.6 -29.7 15.2 78.5 36.1 86 86 A S S S+ 0 0 41 1,-0.2 -38,-0.2 53,-0.1 -2,-0.1 -0.638 97.5 26.1 -88.9 162.1 13.7 75.1 36.9 87 87 A Q S S+ 0 0 38 1,-0.2 -38,-1.1 -2,-0.2 -1,-0.2 0.897 82.1 150.5 55.3 42.1 12.0 74.2 40.2 88 88 A L - 0 0 8 -3,-0.4 -1,-0.2 -40,-0.1 5,-0.1 -0.934 48.4-120.1-104.4 117.8 11.3 77.9 40.8 89 89 A P >> - 0 0 19 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.296 20.9-113.7 -60.6 146.0 8.2 78.3 42.9 90 90 A D H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.771 112.1 64.6 -49.2 -33.7 5.3 80.3 41.4 91 91 A W H 34 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.923 107.4 43.8 -60.6 -36.7 5.5 83.2 43.8 92 92 A A H X4 S+ 0 0 0 -3,-1.3 3,-1.8 1,-0.2 -2,-0.2 0.936 109.6 55.1 -71.1 -46.4 8.9 83.9 42.3 93 93 A K H 3< S+ 0 0 99 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.0 53.0 -57.6 -27.1 7.7 83.4 38.8 94 94 A N T 3< S+ 0 0 115 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.535 89.2 99.5 -86.2 -9.9 5.0 86.0 39.5 95 95 A L < - 0 0 30 -3,-1.8 2,-0.3 -4,-0.3 49,-0.1 -0.523 57.8-158.7 -78.0 150.6 7.4 88.7 40.7 96 96 A N >> - 0 0 112 -2,-0.2 3,-1.0 49,-0.0 4,-0.5 -0.964 37.1 -27.9-137.2 147.9 8.6 91.5 38.4 97 97 A G H >> S- 0 0 36 -2,-0.3 4,-2.2 1,-0.2 3,-0.8 -0.144 121.4 -4.2 57.1-145.4 11.4 93.9 38.0 98 98 A S H 3> S+ 0 0 93 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.822 133.5 60.1 -48.3 -36.8 13.3 95.2 41.0 99 99 A A H <> S+ 0 0 54 -3,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.943 106.8 45.1 -58.0 -49.3 11.0 93.2 43.2 100 100 A F H < S+ 0 0 95 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.933 107.1 55.5 -61.7 -43.2 24.5 82.7 55.0 114 114 A H H 3< S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 116.0 36.0 -60.7 -31.0 22.7 79.7 56.5 115 115 A F H >X S+ 0 0 0 -4,-1.0 3,-2.7 -3,-0.4 4,-1.9 0.329 83.5 143.3-105.2 6.7 25.2 77.3 55.2 116 116 A E T << S+ 0 0 85 -3,-1.2 4,-0.1 -4,-0.6 -3,-0.1 -0.234 75.3 12.0 -52.3 129.1 28.3 79.5 55.6 117 117 A G T 34 S+ 0 0 69 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.341 122.6 67.6 82.5 -3.7 31.3 77.4 56.6 118 118 A K T <4 S+ 0 0 124 -3,-2.7 2,-0.4 1,-0.2 -41,-0.4 0.752 88.3 61.8-107.7 -48.7 29.5 74.2 55.9 119 119 A V < - 0 0 4 -4,-1.9 -2,-0.4 -7,-0.2 -41,-0.2 -0.682 63.2-167.6 -79.1 127.6 29.2 74.3 52.0 120 120 A A S S+ 0 0 38 -43,-2.8 45,-2.7 -2,-0.4 2,-0.3 0.784 72.5 10.9 -87.6 -30.8 32.7 74.4 50.5 121 121 A S E -df 78 165A 4 -44,-0.7 -42,-3.5 43,-0.3 2,-0.4 -0.989 68.4-155.7-145.7 147.4 31.5 75.3 46.9 122 122 A W E -df 79 166A 1 43,-2.6 45,-3.1 -2,-0.3 2,-1.1 -0.969 22.8-133.2-127.0 148.9 28.2 76.5 45.5 123 123 A D E + f 0 167A 1 -44,-2.5 -41,-2.1 -2,-0.4 -42,-0.5 -0.867 33.6 178.8 -90.0 101.2 26.6 76.3 42.0 124 124 A V E + 0 0 0 43,-2.9 -41,-2.0 -2,-1.1 2,-0.4 0.895 69.5 17.8 -72.1 -43.9 25.5 80.0 42.2 125 125 A V E S-ef 83 168A 1 42,-1.0 44,-2.1 -3,-0.2 2,-0.4 -0.999 74.7-170.3-130.6 135.4 24.0 79.9 38.7 126 126 A N E +ef 84 169A 3 -43,-1.9 -41,-0.5 -2,-0.4 44,-0.2 -0.978 63.1 1.5-130.4 132.1 23.1 76.8 36.9 127 127 A E + 0 0 18 42,-2.8 -42,-0.2 -2,-0.4 -1,-0.2 0.885 68.4 149.3 65.7 44.9 22.0 76.4 33.3 128 128 A A + 0 0 1 41,-0.4 8,-2.8 -3,-0.1 2,-0.2 0.663 50.5 76.9 -81.6 -18.0 22.2 79.9 32.1 129 129 A F B S-K 135 0C 6 6,-0.3 2,-0.3 42,-0.1 6,-0.3 -0.608 72.4-128.1-101.9 157.8 23.1 79.1 28.5 130 130 A A > - 0 0 24 4,-2.8 3,-2.0 -2,-0.2 2,-0.2 -0.717 29.7-109.3-102.3 143.5 21.2 77.8 25.5 131 131 A D T 3 S+ 0 0 90 -2,-0.3 42,-0.1 1,-0.3 41,-0.1 -0.548 112.7 35.6 -63.0 139.6 22.1 74.8 23.5 132 132 A G T 3 S- 0 0 69 -2,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.155 129.6 -72.5 97.9 -20.1 23.3 76.3 20.2 133 133 A G S < S+ 0 0 24 -3,-2.0 46,-0.2 1,-0.3 45,-0.1 -0.336 90.1 59.6 115.2 160.3 24.8 79.4 21.9 134 134 A G S S- 0 0 37 44,-0.4 -4,-2.8 -2,-0.1 -1,-0.3 -0.135 90.0 -32.2 77.7-173.3 23.7 82.5 23.7 135 135 A R B -K 129 0C 55 -6,-0.3 -6,-0.3 1,-0.1 2,-0.2 -0.412 67.2 -98.4 -81.1 150.0 21.6 82.9 26.8 136 136 A R - 0 0 20 -8,-2.8 3,-0.4 1,-0.1 -1,-0.1 -0.518 33.3-162.7 -66.8 132.4 18.8 80.6 27.8 137 137 A Q S S+ 0 0 171 -2,-0.2 -1,-0.1 1,-0.2 6,-0.1 0.765 80.3 61.6 -91.6 -27.3 15.5 82.2 26.7 138 138 A D S S+ 0 0 104 4,-0.1 2,-0.5 5,-0.0 -1,-0.2 0.121 80.8 111.2 -87.6 24.7 13.0 80.3 28.7 139 139 A S > - 0 0 2 -3,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.853 62.4-147.7-102.5 126.8 14.5 81.5 32.0 140 140 A A H > S+ 0 0 15 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 0.822 101.0 55.0 -60.5 -29.7 12.6 83.8 34.3 141 141 A F H > S+ 0 0 2 2,-0.2 4,-2.2 3,-0.2 5,-0.3 0.927 110.6 43.2 -70.0 -44.0 15.9 85.4 35.4 142 142 A Q H > S+ 0 0 27 3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.958 118.2 45.7 -66.0 -48.6 17.0 86.2 31.9 143 143 A Q H < S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.981 121.1 34.8 -58.1 -61.8 13.6 87.5 30.8 144 144 A K H < S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 132.8 25.9 -65.8 -34.4 12.9 89.6 33.9 145 145 A L H >< S- 0 0 43 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.556 90.6-143.7-109.2 -12.3 16.5 90.8 34.5 146 146 A G G >< - 0 0 27 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.2 -0.255 55.5 -34.9 78.8-166.3 18.4 90.7 31.3 147 147 A N G > S+ 0 0 102 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.616 123.1 68.3 -66.9 -31.7 22.1 89.7 31.0 148 148 A G G <> S+ 0 0 42 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.538 71.5 91.6 -71.4 -3.6 23.5 91.2 34.3 149 149 A Y H <> S+ 0 0 6 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.792 81.9 56.5 -60.9 -33.1 21.7 88.8 36.7 150 150 A I H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.949 107.9 46.6 -62.0 -50.4 24.5 86.3 36.7 151 151 A E H > S+ 0 0 47 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.875 110.9 53.5 -59.8 -40.7 27.0 88.9 37.9 152 152 A T H X S+ 0 0 44 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.885 108.1 51.0 -61.8 -41.0 24.6 90.1 40.5 153 153 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.938 111.5 46.1 -62.9 -48.6 24.2 86.5 41.9 154 154 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.933 113.8 48.4 -63.2 -43.7 27.9 86.0 42.2 155 155 A R H X S+ 0 0 110 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.935 114.1 46.3 -63.3 -42.3 28.5 89.4 43.8 156 156 A A H X S+ 0 0 17 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.873 113.1 49.3 -66.6 -38.9 25.6 88.8 46.3 157 157 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.913 110.0 51.3 -67.5 -42.2 26.8 85.2 47.1 158 158 A R H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 108.5 52.3 -64.9 -32.3 30.4 86.4 47.7 159 159 A A H < S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.885 113.4 43.2 -71.8 -34.0 29.1 89.1 50.1 160 160 A A H < S+ 0 0 14 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.709 128.1 27.4 -80.7 -24.5 27.2 86.4 52.1 161 161 A D < - 0 0 1 -4,-1.9 3,-0.3 -5,-0.1 -1,-0.3 -0.703 65.1-170.9-145.8 94.3 30.0 83.9 52.1 162 162 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.630 84.8 30.4 -53.7 -26.2 33.5 85.2 51.8 163 163 A T S S+ 0 0 113 2,-0.1 -5,-0.1 -42,-0.0 3,-0.1 0.648 81.5 110.1-116.7 -21.2 35.2 81.8 51.3 164 164 A A S S- 0 0 3 -3,-0.3 2,-0.4 -7,-0.1 -43,-0.3 -0.276 76.2-111.0 -56.4 141.5 32.9 79.3 49.6 165 165 A K E -f 121 0A 95 -45,-2.7 -43,-2.6 33,-0.1 2,-0.6 -0.662 33.4-142.6 -72.6 131.8 34.2 78.6 46.0 166 166 A L E -f 122 0A 0 -2,-0.4 32,-3.2 -45,-0.2 33,-1.4 -0.905 24.7-178.0-104.6 118.8 31.5 80.2 43.7 167 167 A a E -fg 123 199A 0 -45,-3.1 -43,-2.9 -2,-0.6 -42,-1.0 -0.791 26.2-146.1-119.6 156.6 30.8 78.2 40.5 168 168 A I E -fg 125 200A 3 31,-1.4 33,-2.7 -2,-0.3 2,-0.3 -0.918 29.0-162.0-111.2 140.0 28.6 78.5 37.4 169 169 A N E +fg 126 201A 0 -44,-2.1 -42,-2.8 -2,-0.4 -41,-0.4 -0.945 16.5 156.6-130.7 147.0 27.3 75.1 36.2 170 170 A D E - g 0 202A 0 31,-1.5 33,-2.7 -2,-0.3 34,-0.3 -0.995 29.5-124.0-158.5 171.2 25.9 73.7 32.9 171 171 A Y S S+ 0 0 55 -2,-0.3 -42,-0.1 1,-0.2 30,-0.0 -0.766 87.6 31.2-116.8 161.7 25.2 70.7 30.7 172 172 A N S S+ 0 0 69 -2,-0.3 8,-0.4 1,-0.1 7,-0.2 0.879 89.4 103.0 59.8 36.0 26.2 70.1 27.0 173 173 A V + 0 0 0 -3,-0.3 -1,-0.1 6,-0.2 4,-0.1 0.070 45.9 101.1-129.5 17.0 29.3 72.2 27.6 174 174 A E S S+ 0 0 4 2,-0.1 44,-0.2 44,-0.0 2,-0.2 0.888 80.9 42.1 -72.4 -42.9 31.5 69.2 27.8 175 175 A G S S- 0 0 8 43,-0.1 2,-0.5 42,-0.1 5,-0.3 -0.593 104.7 -85.6-101.4 169.3 32.9 69.4 24.3 176 176 A I S S+ 0 0 78 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.614 77.5 122.6 -75.3 118.3 34.0 72.5 22.4 177 177 A N S > S- 0 0 60 -2,-0.5 4,-1.9 -4,-0.1 5,-0.2 -0.915 77.3 -72.2-160.2-174.0 30.8 73.8 20.9 178 178 A A H > S+ 0 0 46 -2,-0.3 4,-1.3 2,-0.2 -44,-0.4 0.775 126.9 48.2 -65.0 -31.2 28.6 76.9 20.7 179 179 A K H > S+ 0 0 3 -7,-0.2 4,-2.3 2,-0.2 3,-0.3 0.962 114.8 43.4 -74.8 -48.6 27.3 76.5 24.3 180 180 A S H > S+ 0 0 0 -8,-0.4 4,-2.7 -5,-0.3 -2,-0.2 0.779 111.1 58.1 -68.9 -23.7 30.7 75.9 25.9 181 181 A N H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.920 107.6 44.3 -70.8 -40.0 32.0 78.8 23.8 182 182 A S H X S+ 0 0 28 -4,-1.3 4,-1.9 -3,-0.3 -2,-0.2 0.892 113.4 52.5 -70.0 -38.6 29.5 81.2 25.2 183 183 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.953 108.9 50.7 -57.6 -53.2 30.3 79.8 28.7 184 184 A Y H X S+ 0 0 51 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.866 107.6 52.3 -54.7 -39.8 34.0 80.4 28.0 185 185 A D H X S+ 0 0 99 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.907 109.1 49.8 -66.2 -41.0 33.4 84.0 27.0 186 186 A L H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.888 111.2 48.1 -64.9 -42.6 31.5 84.8 30.2 187 187 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.944 111.5 50.8 -64.9 -43.6 34.1 83.3 32.4 188 188 A K H X S+ 0 0 113 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 112.1 47.7 -58.6 -41.0 36.8 85.2 30.6 189 189 A D H X S+ 0 0 65 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.946 111.1 49.6 -66.6 -47.6 34.9 88.4 31.1 190 190 A F H <>S+ 0 0 6 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.934 112.8 46.8 -58.2 -47.4 34.2 87.8 34.7 191 191 A K H ><5S+ 0 0 80 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.897 111.4 51.9 -63.2 -40.7 37.8 87.1 35.5 192 192 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.884 117.0 38.8 -63.0 -42.0 39.0 90.1 33.5 193 193 A R T 3<5S- 0 0 114 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.308 113.4-113.2 -89.8 2.0 36.6 92.4 35.4 194 194 A G T < 5 + 0 0 51 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.786 54.6 162.3 72.9 24.4 37.0 90.8 38.8 195 195 A V < - 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0 0 18 1,-0.1 4,-0.1 -5,-0.1 -3,-0.0 -0.635 58.4-106.0 -80.6 118.6 31.7 60.9 25.3 212 212 A P > - 0 0 36 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.173 20.8-144.8 -45.7 124.7 33.2 64.1 23.6 213 213 A G T 3 S+ 0 0 80 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.602 98.6 52.5 -70.4 -11.8 36.6 63.4 22.3 214 214 A D T 3> S+ 0 0 49 1,-0.1 4,-2.0 2,-0.1 -1,-0.3 -0.049 72.3 117.1-112.3 27.5 37.8 66.9 23.2 215 215 A F H <> S+ 0 0 7 -3,-1.4 4,-2.5 2,-0.2 3,-0.4 0.985 79.5 44.0 -57.2 -57.5 36.7 66.7 26.8 216 216 A R H > S+ 0 0 81 1,-0.2 4,-2.7 -4,-0.2 5,-0.2 0.943 112.4 53.6 -53.0 -48.7 40.2 67.1 28.2 217 217 A Q H > S+ 0 0 81 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.854 111.3 45.5 -54.5 -42.3 41.0 69.8 25.8 218 218 A N H X S+ 0 0 0 -4,-2.0 4,-1.3 -3,-0.4 -1,-0.2 0.901 110.9 50.9 -71.3 -43.5 37.9 71.8 26.8 219 219 A L H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.7 0.959 110.5 52.8 -60.0 -45.1 38.5 71.4 30.7 220 220 A Q H 3X S+ 0 0 43 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.818 103.6 53.7 -60.1 -38.1 42.0 72.6 30.2 221 221 A R H 3< S+ 0 0 46 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.3 0.810 111.4 46.3 -71.1 -28.6 41.1 75.8 28.3 222 222 A F H X<>S+ 0 0 0 -4,-1.3 3,-1.6 -3,-0.7 5,-0.5 0.914 110.6 53.3 -74.3 -40.8 38.8 76.8 31.2 223 223 A A H >X5S+ 0 0 5 -4,-2.4 3,-2.4 1,-0.3 4,-0.6 0.877 101.0 60.9 -61.4 -39.3 41.4 75.9 33.7 224 224 A D T 3<5S+ 0 0 116 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.693 91.0 67.9 -63.3 -17.9 43.8 78.1 31.9 225 225 A L T <45S- 0 0 37 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.655 124.5-102.6 -76.1 -8.4 41.5 81.0 32.6 226 226 A G T <45S+ 0 0 29 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.825 84.7 114.3 91.3 37.4 42.5 80.6 36.2 227 227 A V << - 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