==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-97 2XYL . COMPND 2 MOLECULE: BETA-1,4-GLYCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR V.MONEM,C.BIRSAN,R.A.J.WARREN,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) . 11860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 70.8 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 1 1 1 0 2 1 0 1 1 0 1 0 0 1 0 1 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 89 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 156.7 42.5 50.6 47.4 2 2 A T + 0 0 116 1,-0.1 2,-0.3 0, 0.0 3,-0.0 0.610 360.0 36.1-100.3 -19.1 39.4 48.8 48.5 3 3 A T S > S- 0 0 22 1,-0.1 4,-1.5 306,-0.0 3,-0.3 -0.931 79.6-118.5-133.2 158.6 36.9 51.7 48.0 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.762 113.1 64.5 -65.5 -24.3 36.5 54.5 45.4 5 5 A K H > S+ 0 0 61 30,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.930 102.5 45.8 -64.3 -46.5 36.9 56.9 48.4 6 6 A E H > S+ 0 0 103 -3,-0.3 4,-3.0 29,-0.3 -1,-0.2 0.872 111.7 52.6 -64.8 -37.5 40.5 55.7 49.0 7 7 A A H X S+ 0 0 13 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.932 114.2 42.0 -63.5 -46.1 41.3 55.9 45.3 8 8 A A H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 4,-0.3 0.906 115.3 51.1 -67.0 -43.0 40.0 59.5 45.1 9 9 A D H ><5S+ 0 0 70 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.921 108.8 50.3 -60.4 -47.0 41.7 60.4 48.4 10 10 A G H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 110.3 50.9 -63.1 -28.0 45.0 59.0 47.2 11 11 A A T 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.478 114.0-120.4 -86.7 -3.6 44.7 61.1 44.1 12 12 A G T < 5S+ 0 0 68 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.841 74.1 119.5 66.7 34.3 44.0 64.1 46.2 13 13 A R < - 0 0 39 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.3 -0.885 64.5-107.6-132.5 161.1 40.6 64.5 44.5 14 14 A D E -a 269 0A 24 254,-2.7 256,-2.5 -2,-0.3 2,-0.4 -0.635 23.4-179.3 -88.8 142.8 36.9 64.6 45.3 15 15 A F E +a 270 0A 1 -2,-0.3 23,-2.2 254,-0.2 24,-1.0 -0.885 23.1 165.9-141.4 100.5 34.5 61.8 44.4 16 16 A G E -ab 271 39A 0 254,-1.9 256,-2.6 -2,-0.4 2,-0.3 -0.571 23.7-146.9-115.2-179.9 30.9 62.6 45.5 17 17 A F E -ab 272 40A 0 22,-1.0 24,-1.7 254,-0.2 2,-0.6 -0.962 29.5-102.3-143.8 157.7 27.3 61.6 45.0 18 18 A A E - b 0 41A 2 254,-1.1 2,-0.4 -2,-0.3 24,-0.2 -0.747 43.6-146.6 -83.6 118.2 23.9 63.2 45.0 19 19 A L E - b 0 42A 1 22,-3.7 24,-2.4 -2,-0.6 25,-0.5 -0.714 20.6-168.6 -96.1 135.5 22.2 62.6 48.3 20 20 A D > - 0 0 40 -2,-0.4 3,-2.4 22,-0.2 4,-0.3 -0.965 16.7-153.2-115.2 104.8 18.5 62.0 49.0 21 21 A P G > S+ 0 0 20 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.774 89.8 66.5 -50.3 -31.4 18.3 62.2 52.8 22 22 A N G 3 S+ 0 0 129 1,-0.2 3,-0.4 2,-0.1 -3,-0.0 0.590 94.1 60.4 -69.6 -10.2 15.2 60.0 52.9 23 23 A R G X S+ 0 0 83 -3,-2.4 3,-2.2 1,-0.2 7,-0.4 0.573 77.8 85.6 -92.9 -11.7 17.3 57.1 51.6 24 24 A L T < S+ 0 0 16 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.656 80.5 66.1 -63.9 -14.4 19.7 57.0 54.6 25 25 A S T 3 S+ 0 0 116 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.544 83.0 88.5 -81.8 -10.0 17.2 54.8 56.4 26 26 A E S <> S- 0 0 46 -3,-2.2 4,-2.4 1,-0.1 3,-0.3 -0.845 75.8-146.1 -93.5 112.7 17.9 52.1 53.8 27 27 A A H > S+ 0 0 82 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.823 93.9 45.3 -45.0 -51.1 20.9 50.1 55.1 28 28 A Q H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 112.6 51.9 -67.1 -37.0 22.5 49.2 51.8 29 29 A Y H > S+ 0 0 8 -3,-0.3 4,-2.6 -6,-0.2 -2,-0.2 0.964 112.7 44.3 -62.0 -53.1 22.2 52.8 50.5 30 30 A K H X S+ 0 0 85 -4,-2.4 4,-2.9 -7,-0.4 -2,-0.2 0.867 109.2 57.8 -59.6 -41.1 23.9 54.3 53.7 31 31 A A H X S+ 0 0 42 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.905 111.9 40.1 -57.0 -47.0 26.6 51.6 53.7 32 32 A I H X S+ 0 0 8 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.925 114.5 52.8 -69.0 -46.1 27.7 52.6 50.2 33 33 A A H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.902 110.5 49.2 -56.2 -43.4 27.3 56.3 50.8 34 34 A D H < S+ 0 0 52 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.867 123.2 27.3 -65.3 -41.7 29.5 56.0 54.0 35 35 A S H < S+ 0 0 51 -4,-1.6 -30,-0.5 -5,-0.2 -29,-0.3 0.673 117.3 50.4-101.0 -17.3 32.4 54.1 52.4 36 36 A E H < S+ 0 0 10 -4,-2.8 2,-0.3 -5,-0.1 -3,-0.2 0.592 102.3 52.5 -99.9 -11.4 32.6 54.9 48.7 37 37 A F < - 0 0 0 -4,-0.8 -21,-0.2 -5,-0.3 -32,-0.1 -0.882 44.1-169.1-127.6 158.2 32.5 58.7 48.6 38 38 A N S S+ 0 0 14 -23,-2.2 38,-2.3 -2,-0.3 2,-0.3 0.275 79.2 47.9-123.3 4.3 34.4 61.7 50.2 39 39 A L E -bc 16 76A 0 -24,-1.0 -22,-1.0 36,-0.3 2,-0.3 -0.984 63.7-164.4-144.3 150.1 32.0 64.5 49.0 40 40 A V E -bc 17 77A 0 36,-2.5 38,-3.0 -2,-0.3 2,-0.3 -0.984 5.4-176.1-140.1 149.0 28.3 64.9 49.2 41 41 A V E -bc 18 78A 2 -24,-1.7 -22,-3.7 -2,-0.3 2,-0.5 -0.986 34.2-106.8-142.4 146.2 25.7 67.2 47.5 42 42 A A E -b 19 0A 1 36,-0.7 -22,-0.2 -2,-0.3 4,-0.1 -0.651 18.6-154.8 -77.2 124.7 21.9 67.5 48.0 43 43 A E S S- 0 0 27 -24,-2.4 -1,-0.2 -2,-0.5 -23,-0.1 0.895 88.5 -22.2 -64.8 -38.2 20.0 66.1 45.0 44 44 A N S > S+ 0 0 61 -25,-0.5 3,-1.8 -3,-0.1 6,-0.3 0.498 114.3 95.1-144.8 -23.1 17.1 68.4 45.8 45 45 A A T 3 S+ 0 0 10 -26,-0.4 18,-0.4 1,-0.3 19,-0.1 0.674 90.9 43.4 -51.7 -27.9 17.2 69.5 49.4 46 46 A M T 3 S+ 0 0 1 -4,-0.1 -1,-0.3 16,-0.1 -3,-0.0 0.365 87.7 112.8-105.2 8.0 19.1 72.8 48.8 47 47 A K S <> S- 0 0 11 -3,-1.8 4,-2.3 1,-0.1 3,-0.5 -0.172 80.8-102.0 -74.2 169.6 17.2 74.1 45.8 48 48 A W H > S+ 0 0 9 38,-0.2 4,-2.6 1,-0.2 40,-0.2 0.911 119.6 51.8 -59.1 -47.7 14.9 77.2 45.8 49 49 A D H 4 S+ 0 0 62 38,-1.4 -1,-0.2 1,-0.2 39,-0.1 0.741 116.0 42.7 -63.8 -23.5 11.6 75.3 45.9 50 50 A A H 4 S+ 0 0 33 -3,-0.5 -1,-0.2 -6,-0.3 -2,-0.2 0.811 119.7 39.5 -91.5 -35.5 12.9 73.3 48.9 51 51 A T H < S+ 0 0 0 -4,-2.3 8,-2.4 1,-0.2 -2,-0.2 0.785 129.3 23.8 -86.9 -31.7 14.5 76.1 50.9 52 52 A E < + 0 0 0 -4,-2.6 -1,-0.2 6,-0.2 6,-0.2 -0.549 62.8 162.4-136.7 72.1 12.0 79.0 50.3 53 53 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.750 78.2 26.3 -59.6 -29.4 8.6 77.5 49.5 54 54 A S B > S-J 57 0B 66 3,-1.0 3,-2.3 -3,-0.1 0, 0.0 -0.970 110.3 -79.3-134.3 147.4 6.9 80.8 50.3 55 55 A Q T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.220 115.4 -3.8 -51.8 127.0 8.5 84.3 50.1 56 56 A N T 3 S+ 0 0 107 1,-0.1 2,-0.9 47,-0.1 -1,-0.3 0.358 106.4 113.5 70.0 -4.8 10.7 84.9 53.1 57 57 A S B < -J 54 0B 67 -3,-2.3 -3,-1.0 -5,-0.1 2,-0.3 -0.830 51.2-167.8-101.1 98.0 9.6 81.6 54.6 58 58 A F - 0 0 56 -2,-0.9 2,-0.5 -6,-0.2 -6,-0.2 -0.659 15.0-167.5 -92.3 139.6 12.7 79.4 54.7 59 59 A S + 0 0 64 -8,-2.4 4,-0.3 -2,-0.3 3,-0.2 -0.849 15.7 165.1-125.8 91.8 12.7 75.6 55.3 60 60 A F > + 0 0 32 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 0.350 43.9 108.1 -90.9 8.7 16.2 74.3 56.0 61 61 A G H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 86.0 31.9 -48.9 -66.8 15.2 71.0 57.4 62 62 A A H > S+ 0 0 50 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 119.8 55.7 -61.6 -38.9 16.1 68.6 54.6 63 63 A G H > S+ 0 0 0 -18,-0.4 4,-1.9 -4,-0.3 3,-0.3 0.920 107.8 47.7 -60.1 -45.4 19.1 70.9 53.7 64 64 A D H X S+ 0 0 52 -4,-3.5 4,-2.9 1,-0.2 -1,-0.2 0.841 105.2 60.6 -63.5 -36.7 20.4 70.7 57.2 65 65 A R H X S+ 0 0 114 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.880 106.7 45.9 -59.7 -38.3 20.0 66.9 57.2 66 66 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.920 113.4 49.3 -69.6 -44.4 22.4 66.7 54.2 67 67 A A H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.870 110.2 51.1 -62.3 -39.7 24.9 69.1 55.9 68 68 A S H X S+ 0 0 56 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.924 108.1 52.6 -63.8 -44.4 24.7 67.1 59.2 69 69 A Y H X S+ 0 0 8 -4,-1.9 4,-1.6 2,-0.2 6,-0.2 0.901 109.6 48.3 -58.0 -45.0 25.5 63.9 57.3 70 70 A A H X>S+ 0 0 3 -4,-2.0 5,-2.3 1,-0.2 4,-1.0 0.936 114.7 45.2 -61.7 -47.7 28.6 65.4 55.6 71 71 A A H <5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.0 49.1 -64.1 -39.9 29.9 66.7 58.9 72 72 A D H <5S+ 0 0 129 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.732 118.8 37.7 -73.4 -25.3 29.2 63.4 60.8 73 73 A T H <5S- 0 0 51 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.435 111.3-114.2-105.9 -2.5 30.8 61.2 58.1 74 74 A G T <5 + 0 0 60 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.795 65.5 141.8 75.5 30.7 33.7 63.6 57.3 75 75 A K < - 0 0 13 -5,-2.3 -36,-0.3 -6,-0.2 -1,-0.2 -0.734 56.0-106.6-103.7 153.2 32.8 64.4 53.7 76 76 A E E -c 39 0A 53 -38,-2.3 -36,-2.5 -2,-0.3 2,-0.5 -0.460 34.1-130.4 -72.3 147.7 33.1 67.7 51.9 77 77 A L E -c 40 0A 6 41,-0.5 43,-2.7 -38,-0.2 44,-0.9 -0.915 16.8-163.1-107.5 123.7 29.7 69.5 51.4 78 78 A Y E -cd 41 121A 6 -38,-3.0 -36,-0.7 -2,-0.5 2,-0.5 -0.925 15.8-138.5-105.8 121.9 28.9 70.8 47.9 79 79 A G E - d 0 122A 0 42,-3.2 44,-1.4 -2,-0.6 2,-0.8 -0.689 15.0-140.8 -82.1 125.7 26.1 73.3 47.8 80 80 A H - 0 0 4 -2,-0.5 42,-0.1 1,-0.2 44,-0.1 -0.796 51.1 -42.4-101.3 112.4 23.7 72.8 44.9 81 81 A T - 0 0 3 -2,-0.8 43,-0.2 44,-0.1 -1,-0.2 0.942 34.2-173.0 38.4 120.8 22.4 75.9 43.2 82 82 A L S S+ 0 0 1 41,-1.8 2,-0.5 42,-0.4 42,-0.2 0.807 85.3 38.5 -93.3 -41.4 21.1 79.2 44.6 83 83 A V E S+e 125 0A 2 41,-2.3 43,-2.0 40,-0.5 2,-0.3 -0.965 71.8 142.3-119.0 121.4 19.9 80.5 41.2 84 84 A W E -e 126 0A 33 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.956 47.0-138.9-159.2 135.9 18.2 78.2 38.7 85 85 A H S S+ 0 0 27 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.774 87.8 71.3 -66.6 -29.1 15.3 78.6 36.3 86 86 A S S S+ 0 0 49 1,-0.2 -38,-0.2 53,-0.0 -2,-0.1 -0.571 97.9 21.3 -90.0 156.1 13.9 75.2 37.1 87 87 A Q S S+ 0 0 60 1,-0.2 -38,-1.4 -2,-0.2 -1,-0.2 0.915 84.6 151.3 52.9 47.2 12.3 74.2 40.4 88 88 A L - 0 0 10 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.1 -0.946 49.5-112.4-109.9 125.2 11.5 77.8 41.1 89 89 A P >> - 0 0 15 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.213 21.6-120.5 -56.6 145.5 8.3 78.5 43.2 90 90 A D H 3> S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.834 110.4 64.1 -57.9 -35.4 5.4 80.2 41.5 91 91 A W H 3> S+ 0 0 40 -38,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.881 105.2 47.1 -57.0 -36.9 5.5 83.1 43.9 92 92 A A H X4 S+ 0 0 1 -3,-0.9 3,-1.3 1,-0.2 -1,-0.2 0.930 109.1 52.3 -69.7 -46.2 8.9 84.0 42.5 93 93 A K H 3< S+ 0 0 96 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.701 106.7 56.4 -63.0 -19.9 7.8 83.6 38.9 94 94 A N H 3< S+ 0 0 116 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.636 91.5 87.5 -86.6 -17.7 5.0 86.0 39.6 95 95 A L << - 0 0 30 -3,-1.3 2,-0.3 -4,-0.5 49,-0.0 -0.493 62.0-163.9 -80.8 155.0 7.3 88.8 40.9 96 96 A N >> - 0 0 96 -2,-0.2 3,-0.9 49,-0.0 4,-0.8 -0.956 38.0 -22.8-143.7 158.9 8.8 91.3 38.4 97 97 A G H 3> S+ 0 0 37 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.199 125.3 5.4 51.9-120.6 11.5 93.9 38.0 98 98 A S H 3> S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 133.4 50.7 -59.1 -53.7 12.8 95.4 41.3 99 99 A A H <> S+ 0 0 51 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.868 110.7 50.0 -54.7 -42.2 10.8 93.0 43.6 100 100 A F H X S+ 0 0 3 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.881 111.4 48.4 -65.8 -40.4 12.0 90.0 41.7 101 101 A E H X S+ 0 0 79 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.890 110.1 51.1 -67.1 -41.0 15.6 91.1 41.9 102 102 A S H X S+ 0 0 77 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.878 109.9 51.0 -63.9 -36.9 15.3 91.8 45.6 103 103 A A H X S+ 0 0 6 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.909 111.3 47.2 -66.5 -42.7 13.8 88.3 46.1 104 104 A M H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.946 113.8 47.4 -63.4 -48.5 16.8 86.7 44.2 105 105 A V H X S+ 0 0 47 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.894 114.5 47.3 -60.2 -40.5 19.3 88.8 46.2 106 106 A N H X S+ 0 0 36 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.895 110.9 50.3 -69.0 -41.6 17.5 87.9 49.5 107 107 A H H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.925 112.6 47.0 -62.1 -45.4 17.3 84.1 48.6 108 108 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 5,-0.2 0.892 115.6 46.4 -62.5 -42.1 21.0 84.0 47.7 109 109 A T H X S+ 0 0 46 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.939 115.0 43.8 -67.7 -50.4 21.9 85.9 50.9 110 110 A K H X S+ 0 0 89 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.912 117.6 43.5 -63.7 -45.8 19.8 83.9 53.3 111 111 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.902 117.2 45.4 -68.7 -41.6 20.6 80.4 52.0 112 112 A A H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.895 114.4 50.0 -67.4 -39.7 24.4 81.2 51.6 113 113 A D H >< S+ 0 0 92 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.882 107.7 53.9 -65.3 -41.6 24.4 82.7 55.1 114 114 A H H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.0 36.9 -62.5 -41.7 22.6 79.7 56.7 115 115 A F T >X S+ 0 0 0 -4,-1.5 3,-2.4 -5,-0.1 4,-1.8 0.241 84.0 140.8 -96.6 12.5 25.1 77.2 55.4 116 116 A E T <4 S+ 0 0 73 -3,-0.9 4,-0.1 1,-0.3 -3,-0.1 -0.338 74.5 17.3 -57.9 128.5 28.1 79.4 55.8 117 117 A G T 34 S+ 0 0 72 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.211 120.5 68.3 92.2 -16.8 31.1 77.4 57.1 118 118 A K T <4 S+ 0 0 116 -3,-2.4 -41,-0.5 1,-0.1 2,-0.3 0.860 88.5 58.6 -97.2 -56.8 29.4 74.1 56.1 119 119 A V < - 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0 0 8 -4,-0.7 4,-0.2 -3,-0.4 -6,-0.1 -0.191 53.2-141.0 -54.6 140.1 18.4 57.5 39.1 281 281 A W S >> S+ 0 0 78 -8,-0.4 4,-1.1 1,-0.2 3,-0.9 0.652 82.3 89.5 -76.7 -17.9 16.5 60.5 37.7 282 282 A V H >> S+ 0 0 0 1,-0.2 4,-4.0 2,-0.2 3,-1.2 0.897 78.9 53.1 -47.8 -59.9 17.2 59.4 34.1 283 283 A P H 34 S+ 0 0 63 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.742 109.4 51.2 -51.8 -28.2 14.2 57.1 33.3 284 284 A D H <4 S+ 0 0 141 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.778 122.5 29.7 -80.9 -29.0 11.7 59.9 34.4 285 285 A V H << S+ 0 0 73 -3,-1.2 -3,-0.2 -4,-1.1 -1,-0.1 0.817 126.2 42.2 -96.3 -43.4 13.3 62.5 32.2 286 286 A F S >< S- 0 0 50 -4,-4.0 3,-2.3 -5,-0.2 -1,-0.2 -0.762 86.7-146.0-109.5 85.3 14.7 60.4 29.3 287 287 A P T 3 S+ 0 0 106 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.199 82.4 16.7 -53.4 129.2 11.9 57.9 28.6 288 288 A G T 3 S+ 0 0 35 -5,-0.3 -48,-1.6 1,-0.3 2,-0.3 0.340 109.7 95.1 89.7 -6.9 13.4 54.5 27.5 289 289 A E E < +M 239 0E 35 -3,-2.3 2,-0.3 -50,-0.2 -1,-0.3 -0.845 41.6 103.9-118.6 155.3 16.9 55.2 28.8 290 290 A G E +M 238 0E 0 -52,-2.6 -52,-2.2 -2,-0.3 -13,-0.0 -0.937 21.5 110.0 174.6-151.6 18.6 54.4 32.1 291 291 A A + 0 0 15 -2,-0.3 -1,-0.1 -14,-0.2 -55,-0.1 0.806 52.7 142.8 53.4 35.6 21.1 52.2 33.9 292 292 A A + 0 0 0 -15,-0.1 -56,-2.1 -54,-0.1 -1,-0.1 0.705 39.8 73.9 -79.1 -25.3 23.3 55.3 34.1 293 293 A L S S- 0 0 0 2,-0.2 11,-0.2 -58,-0.2 -17,-0.1 -0.156 85.4-107.9 -88.2-179.9 25.0 55.0 37.5 294 294 A V S S+ 0 0 2 -19,-0.3 8,-2.1 -20,-0.2 2,-0.4 0.774 101.2 54.1 -78.2 -29.8 27.8 52.8 38.9 295 295 A W B S-nO 276 301F 2 -20,-1.4 -18,-2.5 6,-0.2 -2,-0.2 -0.907 80.8-134.2-110.0 135.8 25.5 50.5 41.1 296 296 A D > - 0 0 48 4,-2.2 3,-2.7 -2,-0.4 -18,-0.2 -0.154 39.5 -84.3 -78.7 178.0 22.5 48.6 39.7 297 297 A A T 3 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.1 -21,-0.1 0.605 131.6 52.3 -57.1 -15.5 19.0 48.4 41.1 298 298 A S T 3 S- 0 0 103 2,-0.1 -1,-0.3 -20,-0.0 3,-0.1 0.275 119.0-110.2-103.3 6.5 20.2 45.5 43.3 299 299 A Y S < S+ 0 0 27 -3,-2.7 2,-0.4 1,-0.3 -2,-0.1 0.788 70.2 146.2 67.4 30.8 23.1 47.6 44.7 300 300 A A - 0 0 41 -4,-0.1 -4,-2.2 1,-0.0 -1,-0.3 -0.822 55.8-108.2-100.7 137.1 25.6 45.4 42.8 301 301 A K B -O 295 0F 113 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.423 34.6-150.3 -64.3 129.9 28.8 47.0 41.4 302 302 A K >> - 0 0 14 -8,-2.1 3,-2.3 -2,-0.1 4,-0.5 -0.513 35.8 -90.7 -96.0 168.9 28.7 47.3 37.6 303 303 A P H 3> S+ 0 0 63 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.731 122.7 70.3 -51.1 -22.9 31.8 47.2 35.3 304 304 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.798 86.7 66.7 -65.4 -30.1 32.0 51.0 35.7 305 305 A Y H <> S+ 0 0 18 -3,-2.3 4,-2.5 -11,-0.4 -1,-0.2 0.962 102.5 42.5 -55.1 -59.7 33.1 50.6 39.3 306 306 A A H X S+ 0 0 56 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.833 113.5 55.9 -57.7 -34.2 36.5 48.9 38.5 307 307 A A H X S+ 0 0 6 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.933 108.7 44.0 -64.9 -50.0 36.9 51.5 35.7 308 308 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.927 112.3 56.8 -60.7 -42.6 36.5 54.5 38.0 309 309 A M H < S+ 0 0 48 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.944 112.7 37.4 -52.9 -57.5 38.8 52.8 40.5 310 310 A E H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.720 108.4 64.7 -72.6 -20.4 41.7 52.4 38.1 311 311 A A H < 0 0 10 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.871 360.0 360.0 -69.3 -34.7 41.1 55.8 36.4 312 312 A F < 0 0 45 -4,-1.7 -304,-0.1 -3,-0.5 -305,-0.1 -0.018 360.0 360.0 -73.3 360.0 41.9 57.5 39.7