==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-08 3CUJ . COMPND 2 MOLECULE: EXO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR D.A.KUNTZ,M.SAUL,D.R.ROSE . 314 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 15.9 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 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 1 1 0 2 1 0 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 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 69 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 132.2 42.9 48.5 45.3 2 2 A T + 0 0 103 1,-0.1 2,-0.3 307,-0.0 3,-0.0 0.470 360.0 37.5-105.7 -8.4 40.1 46.2 46.5 3 3 A T S > S- 0 0 19 1,-0.1 4,-2.0 306,-0.1 33,-0.1 -0.940 81.4-117.7-136.5 161.6 37.4 48.8 45.9 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.859 118.0 60.0 -63.6 -34.5 36.7 51.6 43.4 5 5 A K H > S+ 0 0 61 30,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.946 106.3 45.3 -55.4 -51.7 37.0 53.9 46.3 6 6 A E H > S+ 0 0 78 29,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.877 111.6 52.8 -60.9 -39.2 40.6 52.7 46.8 7 7 A A H X S+ 0 0 5 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.957 114.7 40.4 -63.3 -48.3 41.4 53.0 43.1 8 8 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 4,-0.4 0.899 113.1 54.7 -66.9 -44.9 40.1 56.6 42.9 9 9 A D H ><5S+ 0 0 71 -4,-3.0 3,-1.7 -5,-0.2 -1,-0.2 0.943 109.7 48.1 -49.9 -52.7 41.8 57.5 46.3 10 10 A G H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.8 53.8 -62.0 -30.9 45.1 56.2 44.9 11 11 A A T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.450 113.9-118.0 -81.3 -1.4 44.6 58.2 41.6 12 12 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.836 77.8 111.6 66.2 31.7 44.1 61.4 43.7 13 13 A R < - 0 0 37 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.818 68.9-103.1-132.2 171.2 40.6 61.7 42.3 14 14 A D E -a 269 0A 24 254,-2.5 256,-2.2 -2,-0.3 2,-0.4 -0.754 20.9-172.6 -94.6 137.9 36.9 61.5 43.3 15 15 A F E +a 270 0A 0 -2,-0.3 23,-2.5 254,-0.2 24,-1.0 -0.953 26.2 172.8-127.5 113.4 34.7 58.6 42.5 16 16 A G E -ab 271 39A 0 254,-2.3 256,-2.6 -2,-0.4 2,-0.3 -0.641 21.9-152.2-118.8 168.7 31.1 59.5 43.5 17 17 A F E -ab 272 40A 0 22,-1.3 24,-2.3 254,-0.2 2,-0.7 -0.982 26.7-110.5-138.6 157.9 27.5 58.3 43.4 18 18 A A E - b 0 41A 1 254,-1.4 2,-0.4 -2,-0.3 24,-0.2 -0.780 41.5-151.8 -85.3 115.4 24.0 59.8 43.3 19 19 A L E - b 0 42A 0 22,-3.2 24,-2.5 -2,-0.7 25,-0.5 -0.756 20.3-162.0 -95.3 136.4 22.4 59.0 46.6 20 20 A D > - 0 0 40 -2,-0.4 3,-1.7 22,-0.2 4,-0.4 -0.970 17.3-152.2-105.0 110.4 18.7 58.5 47.4 21 21 A P G > S+ 0 0 16 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.800 91.1 64.1 -61.8 -24.1 18.7 58.9 51.2 22 22 A N G > S+ 0 0 126 1,-0.3 3,-1.1 2,-0.1 4,-0.1 0.824 94.7 60.5 -65.3 -28.9 15.6 56.7 51.5 23 23 A R G X S+ 0 0 89 -3,-1.7 3,-1.9 1,-0.2 7,-0.4 0.562 79.9 85.6 -75.7 -8.8 17.6 53.7 50.2 24 24 A L G < S+ 0 0 12 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.747 80.8 63.8 -62.8 -21.5 20.1 54.0 53.1 25 25 A S G < S+ 0 0 117 -3,-1.1 2,-0.9 -4,-0.2 -1,-0.3 0.568 84.2 84.2 -79.2 -10.2 17.7 51.8 55.1 26 26 A E S <> S- 0 0 51 -3,-1.9 4,-2.4 1,-0.2 3,-0.5 -0.862 75.9-154.3 -91.3 105.3 18.4 49.0 52.5 27 27 A A H > S+ 0 0 81 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.783 88.5 54.0 -57.5 -36.6 21.6 47.6 54.0 28 28 A Q H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 110.4 47.9 -63.7 -43.5 23.1 46.2 50.7 29 29 A Y H > S+ 0 0 7 -3,-0.5 4,-2.8 -6,-0.2 -2,-0.2 0.952 113.8 47.0 -60.1 -49.5 22.7 49.7 49.1 30 30 A K H X S+ 0 0 70 -4,-2.4 4,-3.0 -7,-0.4 -2,-0.2 0.877 107.7 56.9 -61.4 -38.4 24.3 51.3 52.2 31 31 A A H X S+ 0 0 48 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.901 112.3 40.6 -58.6 -44.1 27.2 48.7 52.2 32 32 A I H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.920 114.9 52.1 -72.8 -44.8 28.2 49.5 48.6 33 33 A A H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.929 112.3 47.1 -51.4 -50.0 27.7 53.3 49.2 34 34 A D H < S+ 0 0 53 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 123.0 30.8 -61.5 -39.0 29.9 53.1 52.3 35 35 A S H < S+ 0 0 49 -4,-1.6 -30,-0.4 -5,-0.2 -29,-0.3 0.640 116.8 47.1-101.3 -20.1 32.7 51.1 50.7 36 36 A E H < S+ 0 0 13 -4,-2.5 2,-0.3 -32,-0.1 -3,-0.1 0.457 102.0 52.6-110.6 -2.6 32.9 52.0 47.0 37 37 A F < - 0 0 0 -4,-0.7 -21,-0.2 -5,-0.2 -32,-0.1 -0.968 43.8-166.9-137.5 150.2 32.8 55.8 46.7 38 38 A N S S+ 0 0 17 -23,-2.5 38,-2.5 -2,-0.3 2,-0.3 0.236 80.5 49.1-117.7 10.6 34.6 58.8 48.2 39 39 A L E -bc 16 76A 0 -24,-1.0 -22,-1.3 36,-0.3 2,-0.4 -0.994 63.1-162.8-147.3 146.6 32.1 61.4 47.1 40 40 A V E -bc 17 77A 0 36,-2.6 38,-2.9 -2,-0.3 2,-0.3 -0.992 5.5-176.3-134.1 144.2 28.3 61.8 47.2 41 41 A V E -bc 18 78A 3 -24,-2.3 -22,-3.2 -2,-0.4 2,-0.5 -0.962 35.3-109.3-130.4 147.6 25.7 63.9 45.4 42 42 A A E -b 19 0A 0 36,-0.6 -22,-0.2 -2,-0.3 4,-0.2 -0.674 18.5-154.8 -76.9 121.9 22.0 64.0 46.1 43 43 A E S S- 0 0 28 -24,-2.5 -1,-0.2 -2,-0.5 -23,-0.1 0.895 87.2 -21.8 -60.8 -39.4 20.1 62.4 43.3 44 44 A N S > S+ 0 0 63 -25,-0.5 3,-1.9 -3,-0.1 6,-0.4 0.504 114.2 93.3-140.9 -26.2 17.0 64.5 44.1 45 45 A A T 3 S+ 0 0 5 -26,-0.4 18,-0.5 1,-0.3 19,-0.1 0.577 91.8 43.1 -62.4 -17.6 17.1 65.7 47.7 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.162 87.9 112.0-115.5 17.6 18.8 69.1 47.0 47 47 A K S <> S- 0 0 10 -3,-1.9 4,-1.1 1,-0.1 5,-0.2 -0.366 83.8-103.0 -80.4 166.1 16.7 70.1 43.9 48 48 A W H >> S+ 0 0 8 33,-0.3 4,-3.0 38,-0.3 3,-0.9 0.939 121.2 51.9 -61.5 -45.9 14.3 73.0 44.1 49 49 A D H 34 S+ 0 0 61 38,-1.7 -1,-0.2 1,-0.3 39,-0.1 0.885 113.4 46.7 -56.1 -34.4 11.2 70.8 44.4 50 50 A A H 34 S+ 0 0 26 -6,-0.4 -1,-0.3 37,-0.2 12,-0.2 0.635 123.1 32.3 -82.6 -18.4 12.8 68.9 47.3 51 51 A T H << S+ 0 0 0 -4,-1.1 8,-2.1 -3,-0.9 -2,-0.2 0.697 125.3 29.2-115.5 -27.3 14.0 72.0 49.1 52 52 A E < + 0 0 0 -4,-3.0 6,-0.2 6,-0.2 -1,-0.2 -0.597 59.1 164.1-137.2 72.9 11.5 74.9 48.6 53 53 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.723 74.9 21.5 -69.5 -24.9 8.0 73.3 48.0 54 54 A S B > S-I 57 0B 59 3,-1.0 3,-2.4 37,-0.1 36,-0.0 -0.950 112.8 -64.7-135.2 163.7 6.3 76.7 48.7 55 55 A Q T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.167 115.1 -15.1 -57.3 123.6 7.6 80.2 48.4 56 56 A N T 3 S+ 0 0 84 1,-0.2 2,-0.5 47,-0.1 -1,-0.3 0.745 107.0 116.5 54.3 29.1 10.3 80.9 51.0 57 57 A S B < -I 54 0B 59 -3,-2.4 -3,-1.0 2,-0.0 2,-0.3 -0.984 52.1-157.4-125.5 116.3 9.3 77.7 53.0 58 58 A F - 0 0 53 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.732 20.3-164.4-107.8 145.9 12.2 75.2 53.0 59 59 A S + 0 0 49 -8,-2.1 4,-0.4 -2,-0.3 3,-0.3 -0.800 21.8 160.1-125.7 85.5 12.2 71.4 53.5 60 60 A F > + 0 0 31 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.385 42.9 101.9 -90.4 2.8 15.8 70.5 54.3 61 61 A G H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 87.3 40.5 -53.0 -51.9 15.2 67.1 56.0 62 62 A A H > S+ 0 0 45 -3,-0.3 4,-1.8 -12,-0.2 -1,-0.2 0.921 117.9 46.8 -66.8 -44.7 16.2 65.0 52.9 63 63 A G H > S+ 0 0 0 -18,-0.5 4,-2.6 -4,-0.4 -1,-0.2 0.886 110.9 52.9 -64.1 -38.5 19.1 67.1 51.9 64 64 A D H X S+ 0 0 59 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.871 105.0 56.1 -62.5 -39.4 20.4 67.2 55.5 65 65 A R H X S+ 0 0 102 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.898 109.3 45.9 -59.8 -43.5 20.2 63.4 55.5 66 66 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 113.8 48.4 -61.7 -48.8 22.5 63.3 52.4 67 67 A A H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.914 112.0 49.4 -60.0 -42.1 24.9 65.9 54.0 68 68 A S H X S+ 0 0 57 -4,-3.0 4,-3.2 2,-0.2 -1,-0.2 0.902 108.2 54.0 -65.2 -39.3 25.0 63.9 57.3 69 69 A Y H X S+ 0 0 3 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.939 109.8 47.4 -58.6 -49.5 25.7 60.7 55.3 70 70 A A H X>S+ 0 0 3 -4,-2.4 5,-2.5 1,-0.2 4,-0.7 0.927 115.1 45.5 -57.1 -48.3 28.7 62.3 53.7 71 71 A A H ><5S+ 0 0 79 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.914 112.5 50.9 -63.9 -40.9 30.0 63.7 57.0 72 72 A D H 3<5S+ 0 0 133 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.776 118.8 36.2 -68.7 -27.4 29.5 60.4 58.8 73 73 A T H 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.337 110.8-115.6-110.0 3.9 31.3 58.3 56.2 74 74 A G T <<5 + 0 0 68 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.874 63.1 146.7 65.4 41.8 34.0 60.9 55.4 75 75 A K < - 0 0 13 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.814 55.2-105.1-105.9 149.1 33.0 61.5 51.7 76 76 A E E -c 39 0A 56 -38,-2.5 -36,-2.6 -2,-0.3 2,-0.5 -0.435 36.5-135.3 -62.0 145.3 33.2 64.8 49.8 77 77 A L E -c 40 0A 5 41,-0.4 43,-2.6 -38,-0.2 44,-0.8 -0.933 17.6-166.3-111.7 124.9 29.7 66.3 49.4 78 78 A Y E -cd 41 121A 5 -38,-2.9 -36,-0.6 -2,-0.5 2,-0.5 -0.913 16.2-133.8-111.9 135.0 28.7 67.7 45.9 79 79 A G E - d 0 122A 0 42,-3.8 44,-3.0 -2,-0.4 2,-0.4 -0.771 14.4-151.0 -98.6 128.6 25.6 69.9 45.6 80 80 A H E - d 0 123A 2 -2,-0.5 -34,-0.5 1,-0.2 -38,-0.1 -0.971 54.2 -16.0-141.6 117.6 23.0 69.4 42.9 81 81 A T E + 0 0 2 42,-0.6 -33,-0.3 -2,-0.4 -1,-0.2 0.628 35.1 167.5-154.4 142.4 21.4 71.8 41.9 82 82 A L E S+ 0 0 1 41,-2.3 2,-0.5 1,-0.2 43,-0.2 0.931 88.0 25.5 -74.9 -44.5 20.5 75.4 42.7 83 83 A V E S+ d 0 125A 1 41,-1.7 43,-2.4 40,-0.4 2,-0.3 -0.972 72.5 142.0-129.2 119.4 19.0 76.6 39.4 84 84 A W E - d 0 126A 31 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.975 47.6-135.3-156.9 139.5 17.4 74.1 36.9 85 85 A H S S+ 0 0 22 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.720 87.7 71.3 -71.4 -22.8 14.3 74.3 34.6 86 86 A S S S+ 0 0 41 1,-0.2 -38,-0.3 53,-0.1 -2,-0.1 -0.574 97.0 22.3 -94.3 158.3 13.2 70.8 35.6 87 87 A Q S S+ 0 0 69 1,-0.2 -38,-1.7 -2,-0.2 -1,-0.2 0.865 84.8 148.8 51.7 40.7 11.7 69.7 39.0 88 88 A L - 0 0 8 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.1 -0.924 49.4-115.8-105.4 121.4 10.7 73.4 39.5 89 89 A P >> - 0 0 19 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.163 18.8-116.9 -59.5 149.2 7.5 73.8 41.6 90 90 A D H 3> S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.809 111.2 65.1 -52.3 -37.8 4.4 75.4 40.1 91 91 A W H 34 S+ 0 0 44 -38,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.878 106.0 43.7 -55.8 -38.1 4.6 78.3 42.5 92 92 A A H X4 S+ 0 0 0 -3,-1.0 3,-1.6 1,-0.2 -2,-0.2 0.920 110.1 54.2 -73.9 -44.9 7.9 79.5 40.9 93 93 A K H 3< S+ 0 0 91 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 104.0 59.2 -56.5 -27.8 6.6 78.9 37.4 94 94 A N T 3< S+ 0 0 120 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.580 91.5 85.2 -79.5 -11.6 3.7 81.2 38.2 95 95 A L < - 0 0 34 -3,-1.6 2,-0.3 -4,-0.3 49,-0.0 -0.524 60.6-168.9 -88.1 158.8 5.9 84.1 39.1 96 96 A N >> - 0 0 100 -2,-0.2 4,-1.3 49,-0.0 3,-1.2 -0.929 41.1 -9.1-141.8 166.9 7.2 86.6 36.5 97 97 A G H >> S- 0 0 39 -2,-0.3 4,-2.5 1,-0.3 3,-0.5 -0.059 125.7 -6.3 49.7-135.2 9.7 89.4 36.0 98 98 A S H 3> S+ 0 0 93 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.795 133.8 59.8 -67.3 -25.3 11.4 90.7 39.2 99 99 A A H <> S+ 0 0 47 -3,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.908 109.7 43.8 -65.8 -40.1 9.2 88.5 41.4 100 100 A F H < S+ 0 0 73 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.916 108.5 55.5 -60.9 -43.6 23.7 79.3 53.1 114 114 A H H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.902 117.2 33.9 -57.7 -40.8 22.0 76.2 54.6 115 115 A F H >X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.1 3,-2.3 0.311 84.5 139.1-100.1 9.4 24.7 73.8 53.3 116 116 A E T << S+ 0 0 79 -3,-1.0 4,-0.1 -4,-0.5 -3,-0.1 -0.292 74.8 16.9 -59.1 135.8 27.6 76.2 53.7 117 117 A G T 34 S+ 0 0 75 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.289 125.7 60.8 81.3 -7.5 30.7 74.4 55.0 118 118 A K T <4 S+ 0 0 131 -3,-2.3 2,-0.4 1,-0.2 -41,-0.4 0.751 90.9 62.3-110.5 -56.8 29.2 71.0 54.2 119 119 A V < - 0 0 4 -4,-2.4 -2,-0.5 -7,-0.2 -1,-0.2 -0.639 62.4-169.9 -72.4 124.8 28.7 71.2 50.4 120 120 A A S S+ 0 0 42 -43,-2.6 45,-2.5 -2,-0.4 2,-0.3 0.747 70.3 15.0 -86.0 -30.5 32.2 71.5 48.8 121 121 A S E -de 78 165A 4 -44,-0.8 -42,-3.8 43,-0.2 2,-0.4 -0.992 69.0-151.5-146.6 143.4 30.9 72.3 45.2 122 122 A W E -de 79 166A 0 43,-2.6 45,-3.5 -2,-0.3 2,-1.4 -0.962 22.1-137.4-119.3 138.3 27.6 73.3 43.7 123 123 A D E +de 80 167A 2 -44,-3.0 -41,-2.3 -2,-0.4 -42,-0.6 -0.795 35.4 176.5 -74.4 91.6 25.9 72.8 40.3 124 124 A V E + 0 0 0 43,-2.3 -41,-1.7 -2,-1.4 2,-0.4 0.944 68.3 20.8 -67.1 -47.5 24.8 76.4 40.5 125 125 A V E S-de 83 168A 0 42,-1.0 44,-2.3 -3,-0.2 2,-0.4 -0.987 76.0-164.3-126.4 134.9 23.2 76.3 37.0 126 126 A N E -de 84 169A 3 -43,-2.4 -41,-0.5 -2,-0.4 44,-0.2 -0.964 63.2 -8.4-123.7 129.9 22.2 73.0 35.4 127 127 A E + 0 0 20 42,-2.6 -1,-0.2 -2,-0.4 -42,-0.1 0.867 69.6 153.3 58.3 48.6 21.3 72.3 31.7 128 128 A A + 0 0 0 41,-0.4 8,-2.9 -3,-0.1 2,-0.2 0.653 50.8 73.9 -78.2 -18.2 21.3 76.0 30.4 129 129 A F B S-J 135 0C 5 6,-0.3 2,-0.4 42,-0.1 6,-0.3 -0.491 72.5-124.9-105.5 168.6 22.2 75.1 26.8 130 130 A A > - 0 0 19 4,-2.5 3,-2.5 -2,-0.2 52,-0.1 -0.868 28.3-107.9-111.7 139.8 20.4 73.5 23.8 131 131 A D T 3 S+ 0 0 90 -2,-0.4 42,-0.1 1,-0.3 41,-0.1 -0.479 114.3 31.5 -55.1 132.2 21.4 70.5 21.7 132 132 A G T 3 S- 0 0 72 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.370 130.3 -71.3 92.3 -3.8 22.6 72.2 18.5 133 133 A G S < S+ 0 0 24 -3,-2.5 46,-0.2 1,-0.2 45,-0.1 -0.096 90.0 57.2 107.5 160.9 23.8 75.3 20.2 134 134 A G S S- 0 0 33 44,-0.4 -4,-2.5 45,-0.1 -1,-0.2 -0.217 89.8 -26.4 76.6-168.9 22.6 78.4 22.0 135 135 A R B S-J 129 0C 45 -6,-0.3 -6,-0.3 1,-0.1 -7,-0.1 -0.459 72.6 -89.2 -84.5 149.3 20.3 78.6 25.1 136 136 A R - 0 0 23 -8,-2.9 3,-0.4 -2,-0.2 -6,-0.1 -0.286 32.0-152.3 -51.9 137.1 17.8 76.0 26.3 137 137 A Q S S+ 0 0 155 1,-0.2 -1,-0.1 -8,-0.1 -7,-0.0 0.369 85.2 49.8-100.7 -2.5 14.3 76.7 24.7 138 138 A D S S+ 0 0 100 5,-0.0 2,-0.5 4,-0.0 -1,-0.2 -0.141 81.1 121.5-128.5 39.2 12.0 75.2 27.4 139 139 A S > - 0 0 2 -3,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.913 54.2-151.5-112.0 126.6 13.4 76.9 30.5 140 140 A A H > S+ 0 0 13 -2,-0.5 4,-2.5 -55,-0.2 5,-0.3 0.837 102.4 50.8 -53.0 -38.0 11.4 79.1 32.9 141 141 A F H >>S+ 0 0 1 2,-0.2 4,-2.4 3,-0.2 5,-0.8 0.953 111.9 44.1 -71.0 -48.1 14.7 80.9 33.7 142 142 A Q H >5S+ 0 0 27 3,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.927 119.2 44.5 -59.6 -45.3 15.7 81.6 30.1 143 143 A Q H <5S+ 0 0 134 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.901 122.2 34.0 -69.5 -44.3 12.2 82.7 29.2 144 144 A K H <5S+ 0 0 54 -4,-2.5 -47,-0.2 -5,-0.2 -1,-0.2 0.808 135.3 21.3 -83.5 -30.0 11.4 84.9 32.2 145 145 A L H <5S- 0 0 42 -4,-2.4 3,-0.4 -5,-0.3 -3,-0.2 0.633 90.7-151.2-115.4 -23.7 14.9 86.3 32.9 146 146 A G ><< - 0 0 23 -4,-1.5 3,-1.8 -5,-0.8 4,-0.2 -0.221 54.1 -26.6 75.5-168.7 16.9 86.0 29.6 147 147 A N T > S+ 0 0 103 1,-0.3 3,-1.0 2,-0.1 4,-0.4 0.762 125.5 64.4 -53.0 -37.4 20.7 85.5 29.2 148 148 A G T 3> S+ 0 0 43 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.551 75.2 87.7 -70.1 -8.5 21.8 87.2 32.4 149 149 A Y H <> S+ 0 0 7 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.827 84.3 57.8 -61.8 -30.9 20.2 84.7 34.8 150 150 A I H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.2 5,-0.2 0.984 109.2 42.9 -63.8 -54.5 23.3 82.5 34.8 151 151 A E H > S+ 0 0 45 -4,-0.4 4,-2.7 1,-0.2 5,-0.3 0.907 113.2 54.3 -55.9 -42.8 25.6 85.3 35.9 152 152 A T H X S+ 0 0 43 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.938 109.1 47.8 -56.5 -47.9 23.0 86.4 38.5 153 153 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.916 112.9 47.7 -60.2 -48.4 22.9 82.8 40.0 154 154 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.927 112.7 47.4 -60.8 -46.9 26.7 82.5 40.2 155 155 A R H X S+ 0 0 109 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 113.5 48.9 -63.4 -40.1 27.2 85.9 41.8 156 156 A A H X S+ 0 0 14 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.905 109.9 51.7 -63.5 -40.0 24.4 85.1 44.3 157 157 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.937 111.5 46.5 -62.5 -44.5 25.9 81.7 45.1 158 158 A R H < S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.0 55.5 -64.9 -37.8 29.3 83.3 45.8 159 159 A A H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.891 115.3 39.1 -61.2 -38.5 27.6 86.0 47.9 160 160 A A H < S+ 0 0 9 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.912 130.6 26.2 -76.4 -44.1 26.1 83.3 50.1 161 161 A D < - 0 0 2 -4,-2.8 -1,-0.3 -5,-0.2 3,-0.2 -0.880 65.5-171.3-129.5 95.9 29.1 80.9 50.1 162 162 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.659 84.1 31.9 -64.5 -16.5 32.5 82.6 49.6 163 163 A T S S+ 0 0 115 2,-0.1 -5,-0.1 -42,-0.0 3,-0.1 0.654 82.6 111.9-119.4 -15.4 34.4 79.4 49.3 164 164 A A S S- 0 0 4 -3,-0.2 2,-0.5 -7,-0.2 -43,-0.2 -0.252 74.5-109.8 -61.7 145.6 32.4 76.6 47.6 165 165 A K E -e 121 0A 94 -45,-2.5 -43,-2.6 33,-0.1 2,-0.7 -0.669 34.6-145.8 -72.8 125.8 33.5 75.6 44.1 166 166 A L E -e 122 0A 0 -2,-0.5 32,-3.1 -45,-0.2 33,-1.4 -0.871 21.8-176.0-106.5 113.7 30.7 76.9 41.8 167 167 A a E -ef 123 199A 1 -45,-3.5 -43,-2.3 -2,-0.7 -42,-1.0 -0.761 25.4-146.2-108.5 153.9 30.0 74.8 38.7 168 168 A I E -ef 125 200A 0 31,-1.6 33,-2.9 -2,-0.3 2,-0.3 -0.946 27.4-161.6-108.8 138.6 27.9 74.9 35.6 169 169 A N E +ef 126 201A 0 -44,-2.3 -42,-2.6 -2,-0.4 -41,-0.4 -0.931 16.7 157.1-127.0 142.5 26.7 71.4 34.6 170 170 A D E - f 0 202A 0 31,-1.9 33,-3.1 -2,-0.3 34,-0.3 -0.985 27.9-130.3-157.8 168.1 25.3 70.0 31.3 171 171 A Y S S+ 0 0 55 -2,-0.3 -42,-0.1 31,-0.2 30,-0.0 -0.776 86.0 34.0-119.3 165.6 24.7 66.9 29.2 172 172 A N S S+ 0 0 63 -2,-0.3 8,-0.3 33,-0.1 7,-0.2 0.770 92.0 102.0 57.6 25.8 25.5 66.3 25.5 173 173 A V + 0 0 0 -3,-0.2 -1,-0.1 6,-0.1 4,-0.1 0.085 44.5 97.8-118.8 17.6 28.5 68.5 26.0 174 174 A E S S+ 0 0 5 2,-0.1 44,-0.2 44,-0.0 45,-0.2 0.875 82.0 48.8 -79.3 -37.7 31.1 65.7 26.3 175 175 A G S S- 0 0 7 43,-0.1 2,-0.8 42,-0.1 5,-0.2 -0.425 104.4 -92.0 -87.4 172.0 32.2 66.0 22.7 176 176 A I S S+ 0 0 53 -2,-0.1 2,-0.2 4,-0.1 -2,-0.1 -0.816 74.6 127.8 -87.4 111.7 33.2 69.2 20.9 177 177 A N S > S- 0 0 59 -2,-0.8 4,-2.5 -4,-0.1 5,-0.2 -0.848 75.9 -75.1-152.9-175.0 29.9 70.3 19.3 178 178 A A H > S+ 0 0 45 -2,-0.2 4,-2.1 1,-0.2 -44,-0.4 0.883 127.8 49.5 -64.2 -36.6 27.6 73.4 19.0 179 179 A K H > S+ 0 0 2 -7,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 114.0 42.4 -64.7 -52.7 26.3 72.8 22.6 180 180 A S H > S+ 0 0 0 -8,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.821 112.4 57.1 -66.3 -29.4 29.7 72.4 24.3 181 181 A N H X S+ 0 0 64 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.923 106.9 47.1 -63.7 -45.2 30.9 75.4 22.1 182 182 A S H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 114.0 48.3 -60.3 -44.1 28.2 77.6 23.5 183 183 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.922 110.5 51.7 -60.0 -46.4 29.1 76.4 27.0 184 184 A Y H X S+ 0 0 53 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.921 106.5 53.5 -56.2 -49.2 32.8 77.1 26.3 185 185 A D H X S+ 0 0 103 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 111.2 46.5 -53.7 -44.8 32.0 80.7 25.1 186 186 A L H X S+ 0 0 13 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.921 111.5 49.7 -64.6 -47.5 30.2 81.4 28.4 187 187 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.952 112.6 47.6 -58.1 -49.0 32.9 79.9 30.6 188 188 A K H X S+ 0 0 120 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.911 113.1 49.4 -56.4 -44.9 35.6 81.9 28.8 189 189 A D H X S+ 0 0 67 -4,-2.3 4,-2.1 -5,-0.2 6,-0.2 0.912 111.4 48.2 -60.1 -47.1 33.4 85.1 29.1 190 190 A F H X>S+ 0 0 6 -4,-2.8 5,-2.4 2,-0.2 4,-0.6 0.920 113.8 46.1 -62.6 -45.5 32.8 84.5 32.9 191 191 A K H ><5S+ 0 0 76 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.927 111.6 53.0 -64.9 -43.5 36.5 83.9 33.6 192 192 A A H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 116.3 38.9 -56.1 -41.1 37.5 87.0 31.5 193 193 A R H 3<5S- 0 0 112 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.400 113.4-112.8 -94.6 1.8 35.1 89.2 33.5 194 194 A G T <<5 + 0 0 55 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.737 55.9 162.5 70.6 23.5 35.7 87.7 36.9 195 195 A V < - 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