==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-10 3MMD . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR V.SOLOMON,G.ZOLOTNITSKY,H.FEINBERG,O.TABACHNIKOV,Y.SHOHAM,G. . 371 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.1 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 1 1 1 0 0 1 0 1 1 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 6 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 . 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 9 A K 0 0 210 0, 0.0 364,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.2 49.5 -89.9 -47.7 2 10 A P - 0 0 73 0, 0.0 2,-1.4 0, 0.0 358,-0.1 -0.185 360.0-123.9 -63.7 150.3 47.5 -87.2 -45.7 3 11 A H + 0 0 106 356,-0.1 2,-0.1 3,-0.0 358,-0.1 -0.530 56.3 161.1 -91.4 64.2 48.9 -85.2 -42.8 4 12 A I - 0 0 55 -2,-1.4 356,-2.6 1,-0.1 5,-0.1 -0.460 49.4 -79.9 -87.2 161.6 45.9 -86.3 -40.6 5 13 A S B > -A 359 0A 27 354,-0.3 3,-1.6 1,-0.2 354,-0.3 -0.304 33.1-134.3 -57.9 138.2 45.7 -86.3 -36.8 6 14 A A G > S+ 0 0 0 352,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.708 104.9 69.4 -68.2 -19.4 47.5 -89.3 -35.3 7 15 A L G 3 S+ 0 0 31 351,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.639 104.0 42.6 -72.9 -12.3 44.4 -89.8 -33.1 8 16 A N G < S+ 0 0 124 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.066 98.2 100.3-117.8 22.0 42.6 -90.8 -36.3 9 17 A A S < S- 0 0 1 -3,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.733 86.2 -83.9-109.4 157.0 45.3 -93.0 -37.8 10 18 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.319 60.2 -95.9 -56.0 140.6 45.7 -96.7 -37.7 11 19 A Q > - 0 0 56 1,-0.1 4,-1.5 -4,-0.1 32,-0.2 -0.367 26.3-151.0 -65.5 128.1 47.3 -97.9 -34.5 12 20 A L H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.1 0.929 95.6 49.8 -65.7 -48.4 51.1 -98.3 -34.6 13 21 A D H > S+ 0 0 28 30,-1.3 4,-0.6 1,-0.2 3,-0.3 0.888 108.8 54.7 -59.7 -36.0 51.3 -101.0 -32.0 14 22 A Q H >4 S+ 0 0 102 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.881 102.6 56.2 -64.2 -39.8 48.5 -103.0 -33.7 15 23 A R H 3< S+ 0 0 36 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.832 120.0 31.5 -61.0 -32.1 50.5 -103.0 -37.0 16 24 A Y H >X S+ 0 0 3 -4,-1.3 4,-2.3 -3,-0.3 3,-1.9 0.329 80.4 120.9-111.5 10.9 53.4 -104.6 -35.2 17 25 A K T << S+ 0 0 127 -3,-0.7 -1,-0.1 -4,-0.6 -2,-0.1 0.661 81.0 41.4 -52.5 -23.7 51.7 -106.7 -32.6 18 26 A N T 34 S+ 0 0 132 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.579 118.2 47.1 -99.4 -8.7 53.1 -110.1 -33.7 19 27 A E T <4 S- 0 0 55 -3,-1.9 2,-0.3 1,-0.4 283,-0.2 0.864 124.9 -42.0 -96.3 -49.2 56.6 -108.7 -34.4 20 28 A F < - 0 0 8 -4,-2.3 -1,-0.4 -7,-0.2 284,-0.3 -0.950 61.8 -87.9-173.6 160.9 57.4 -106.7 -31.3 21 29 A T E -b 304 0B 24 282,-2.1 284,-2.2 -2,-0.3 2,-0.5 -0.370 35.7-134.8 -75.2 163.2 55.8 -104.3 -28.9 22 30 A I E -b 305 0B 0 282,-0.2 23,-2.3 -2,-0.1 24,-0.8 -0.979 30.6-178.5-122.9 118.8 55.9 -100.5 -29.7 23 31 A G E -bc 306 46B 0 282,-2.4 284,-3.0 -2,-0.5 2,-0.3 -0.664 18.7-155.1-119.3 171.1 56.9 -98.2 -26.8 24 32 A A E -bc 307 47B 0 22,-1.2 24,-1.7 282,-0.2 2,-0.4 -0.992 20.9-125.8-142.5 146.4 57.4 -94.6 -25.8 25 33 A A E - c 0 48B 0 282,-1.4 2,-0.3 -2,-0.3 24,-0.2 -0.746 38.8-171.0 -89.6 138.9 59.5 -92.9 -23.2 26 34 A V E - c 0 49B 0 22,-2.7 24,-2.4 -2,-0.4 25,-0.5 -0.915 25.7-144.1-136.0 159.9 57.3 -90.6 -21.0 27 35 A E >> - 0 0 33 -2,-0.3 3,-1.3 22,-0.2 4,-0.6 -0.893 35.2-115.6-114.8 147.2 57.5 -87.9 -18.4 28 36 A P G >4 S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.844 111.6 62.3 -54.5 -35.2 54.7 -87.8 -15.7 29 37 A Y G >4 S+ 0 0 114 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.820 93.1 65.6 -63.1 -26.0 53.4 -84.4 -16.8 30 38 A Q G X4 S+ 0 0 1 -3,-1.3 3,-1.5 1,-0.3 7,-0.3 0.799 89.5 65.8 -65.3 -23.9 52.6 -85.9 -20.2 31 39 A L G << S+ 0 0 23 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.558 102.0 49.2 -74.9 -4.5 50.0 -88.1 -18.4 32 40 A Q G < S+ 0 0 160 -3,-1.9 2,-0.6 -4,-0.2 -1,-0.3 0.283 91.5 91.8-112.6 6.3 48.2 -84.9 -17.6 33 41 A N S <> S- 0 0 64 -3,-1.5 4,-2.7 1,-0.1 5,-0.2 -0.916 70.4-147.7-103.4 114.9 48.3 -83.7 -21.3 34 42 A E H > S+ 0 0 143 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.866 95.5 48.7 -49.5 -46.2 45.2 -84.9 -23.1 35 43 A K H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 112.2 47.3 -64.4 -43.5 46.9 -85.3 -26.4 36 44 A D H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 111.9 51.2 -65.4 -41.5 49.8 -87.3 -25.0 37 45 A V H X S+ 0 0 25 -4,-2.7 4,-2.2 -7,-0.3 5,-0.2 0.939 110.1 49.0 -60.0 -46.2 47.5 -89.5 -23.1 38 46 A Q H X S+ 0 0 76 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.847 110.4 52.6 -61.5 -34.9 45.4 -90.2 -26.2 39 47 A M H X>S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.5 0.907 109.0 48.0 -68.6 -43.2 48.6 -91.0 -28.1 40 48 A L H X5S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.907 114.6 45.4 -65.1 -41.7 49.8 -93.5 -25.5 41 49 A K H <5S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.851 119.6 41.9 -70.2 -35.0 46.4 -95.3 -25.4 42 50 A R H <5S+ 0 0 74 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.951 128.0 18.0 -78.3 -51.0 46.1 -95.3 -29.2 43 51 A H H <5S+ 0 0 0 -4,-2.6 -30,-1.3 -5,-0.2 2,-0.3 0.618 108.6 66.4-101.6 -15.6 49.5 -96.2 -30.5 44 52 A F << + 0 0 7 -4,-1.2 -21,-0.2 -5,-0.5 3,-0.1 -0.854 33.2 175.6-119.5 150.1 51.6 -97.8 -27.8 45 53 A N S S+ 0 0 34 -23,-2.3 38,-2.4 -2,-0.3 2,-0.3 0.103 75.3 51.8-130.3 19.4 51.6 -101.0 -25.8 46 54 A S E -cd 23 83B 0 -24,-0.8 -22,-1.2 36,-0.3 2,-0.3 -0.975 63.9-169.5-151.8 145.7 54.9 -100.5 -23.8 47 55 A I E -cd 24 84B 0 36,-2.0 38,-2.0 -2,-0.3 2,-0.3 -0.967 6.6-174.5-141.1 154.0 56.2 -97.6 -21.8 48 56 A V E -cd 25 85B 1 -24,-1.7 -22,-2.7 -2,-0.3 2,-0.5 -0.987 32.9-108.9-145.5 149.0 59.4 -96.4 -20.1 49 57 A A E -c 26 0B 0 36,-0.6 -22,-0.2 -2,-0.3 4,-0.2 -0.715 18.7-154.9 -82.0 123.8 60.3 -93.5 -17.9 50 58 A E S S- 0 0 9 -24,-2.4 -1,-0.2 -2,-0.5 -23,-0.1 0.861 84.6 -20.1 -64.9 -33.7 62.4 -90.9 -19.7 51 59 A N S > S+ 0 0 34 -25,-0.5 3,-1.8 -3,-0.1 6,-0.3 0.591 114.1 84.1-145.8 -33.0 63.8 -89.7 -16.5 52 60 A V T 3 S+ 0 0 19 1,-0.3 18,-0.4 5,-0.1 17,-0.1 0.505 92.8 51.2 -69.1 -1.2 62.0 -90.4 -13.3 53 61 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.294 82.6 113.2-112.7 8.8 63.3 -94.0 -12.7 54 62 A K S X> S- 0 0 11 -3,-1.8 4,-1.9 1,-0.1 3,-0.9 -0.386 84.4 -99.8 -73.4 158.6 67.0 -93.0 -13.0 55 63 A P H 3> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 40,-0.2 0.862 120.4 49.0 -46.9 -49.9 69.1 -93.3 -9.8 56 64 A I H 34 S+ 0 0 72 38,-2.4 39,-0.1 1,-0.2 38,-0.1 0.774 112.0 50.1 -66.9 -24.8 69.1 -89.7 -8.9 57 65 A S H <4 S+ 0 0 37 -3,-0.9 -1,-0.2 37,-0.3 9,-0.2 0.857 117.3 39.6 -78.3 -36.7 65.4 -89.5 -9.3 58 66 A I H < S+ 0 0 0 -4,-1.9 8,-2.6 1,-0.2 -2,-0.2 0.911 133.4 15.3 -79.7 -49.8 64.7 -92.6 -7.1 59 67 A Q < + 0 0 4 -4,-2.9 -1,-0.2 6,-0.2 6,-0.2 -0.563 64.8 161.8-130.6 72.5 67.3 -92.2 -4.3 60 68 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.733 79.3 23.5 -60.3 -26.4 68.6 -88.6 -4.3 61 69 A E B > S-J 64 0C 114 3,-0.7 3,-2.9 -3,-0.1 2,-0.1 -0.987 105.8 -90.5-139.5 138.6 69.9 -89.0 -0.8 62 70 A E T 3 S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.309 116.6 14.2 -54.5 122.3 70.7 -92.3 0.8 63 71 A G T 3 S+ 0 0 57 1,-0.1 2,-0.8 -2,-0.1 -1,-0.3 0.252 101.4 106.2 96.0 -13.7 67.6 -93.6 2.5 64 72 A K B < -J 61 0C 113 -3,-2.9 -3,-0.7 2,-0.0 2,-0.5 -0.848 49.2-176.1-103.6 99.1 65.3 -91.1 0.7 65 73 A F - 0 0 55 -2,-0.8 2,-0.6 -6,-0.2 -6,-0.2 -0.828 11.5-167.2-100.0 130.1 63.3 -93.0 -1.9 66 74 A N + 0 0 89 -8,-2.6 4,-0.3 -2,-0.5 3,-0.1 -0.868 25.2 152.0-117.6 95.2 61.0 -91.1 -4.2 67 75 A F > + 0 0 23 -2,-0.6 4,-3.1 1,-0.1 5,-0.2 0.410 47.2 100.2 -99.2 -1.6 58.7 -93.5 -6.0 68 76 A E H > S+ 0 0 127 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.907 87.7 37.0 -50.7 -52.9 55.9 -91.0 -6.4 69 77 A Q H >> S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 3,-0.7 0.930 117.3 50.5 -69.3 -46.4 56.7 -90.1 -10.0 70 78 A A H 3> S+ 0 0 0 -18,-0.4 4,-2.1 -4,-0.3 3,-0.4 0.891 105.3 59.1 -59.1 -38.0 57.7 -93.5 -11.1 71 79 A D H 3X S+ 0 0 49 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.832 98.7 58.6 -59.1 -35.2 54.4 -94.8 -9.6 72 80 A R H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.8 0.941 111.6 47.7 -58.8 -49.4 50.8 -98.6 -17.8 78 86 A K H ><5S+ 0 0 128 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.890 109.0 52.8 -61.3 -40.2 48.7 -101.0 -15.7 79 87 A A H 3<5S+ 0 0 80 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.699 117.8 39.7 -69.3 -16.9 45.4 -99.2 -16.4 80 88 A N T <<5S- 0 0 56 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.177 109.5-113.8-120.9 20.5 46.2 -99.5 -20.1 81 89 A G T < 5 + 0 0 67 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.800 63.2 150.9 54.2 35.3 47.7 -103.0 -20.5 82 90 A M < - 0 0 13 -5,-2.4 -36,-0.3 -6,-0.2 -1,-0.2 -0.741 47.0-122.5 -98.8 145.7 51.1 -101.7 -21.4 83 91 A D E -d 46 0B 57 -38,-2.4 -36,-2.0 -2,-0.3 2,-0.4 -0.420 30.2-139.6 -74.7 161.3 54.4 -103.5 -20.7 84 92 A I E -d 47 0B 1 -38,-0.2 61,-1.8 58,-0.2 60,-0.6 -0.979 12.6-161.1-128.5 140.0 56.9 -101.5 -18.6 85 93 A R E -de 48 145B 1 -38,-2.0 2,-0.7 -2,-0.4 -36,-0.6 -0.941 18.9-135.3-114.0 139.7 60.6 -101.2 -19.0 86 94 A F E - e 0 146B 1 59,-2.7 61,-2.8 -2,-0.4 2,-0.5 -0.878 17.8-144.2-100.3 116.4 62.7 -99.9 -16.0 87 95 A H E - e 0 147B 2 -2,-0.7 -34,-0.5 1,-0.2 61,-0.1 -0.952 60.4 -15.0-122.5 110.4 65.2 -97.3 -17.0 88 96 A T E + 0 0 0 59,-0.5 -1,-0.2 -2,-0.5 60,-0.2 0.697 33.7 173.8-152.2 153.9 67.7 -97.6 -15.3 89 97 A L E S+ 0 0 2 58,-2.1 2,-0.4 -3,-0.3 60,-0.2 0.868 90.1 22.4 -74.3 -35.1 69.2 -99.2 -12.2 90 98 A V E + e 0 149B 0 58,-0.5 60,-1.9 57,-0.5 2,-0.3 -0.994 67.9 140.0-139.5 131.2 72.8 -98.2 -12.8 91 99 A W - 0 0 29 -2,-0.4 60,-0.1 58,-0.2 61,-0.0 -0.970 49.4-125.8-161.2 157.0 74.4 -95.4 -14.9 92 100 A H S S+ 0 0 62 58,-0.4 2,-0.3 -2,-0.3 3,-0.2 0.479 94.9 58.8 -88.7 -3.1 77.3 -92.9 -14.6 93 101 A S S S+ 0 0 49 1,-0.2 -37,-0.2 3,-0.0 -2,-0.0 -0.847 103.8 22.5-121.6 160.9 75.0 -89.9 -15.3 94 102 A Q S S+ 0 0 66 -2,-0.3 -38,-2.4 1,-0.2 -37,-0.3 0.919 93.3 130.9 46.5 48.5 71.9 -88.8 -13.4 95 103 A V - 0 0 22 -3,-0.2 -1,-0.2 -40,-0.2 2,-0.1 -0.999 64.2-107.7-132.8 129.6 73.3 -90.6 -10.4 96 104 A P > - 0 0 4 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.314 18.0-135.3 -61.6 135.1 73.6 -89.1 -6.9 97 105 A Q G > S+ 0 0 71 1,-0.2 3,-1.6 2,-0.2 4,-0.1 0.794 94.6 77.5 -60.2 -32.3 77.1 -88.2 -5.7 98 106 A W G > S+ 0 0 37 1,-0.3 3,-1.1 -38,-0.3 -1,-0.2 0.734 81.8 69.9 -53.8 -23.9 76.6 -89.7 -2.2 99 107 A F G < S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.908 102.6 42.8 -59.0 -42.1 77.1 -93.2 -3.7 100 108 A F G < S+ 0 0 23 -3,-1.6 8,-2.8 -4,-0.3 9,-0.4 0.110 90.2 101.6 -96.8 20.4 80.8 -92.4 -4.3 101 109 A L B < -K 107 0D 59 -3,-1.1 0, 0.0 6,-0.2 0, 0.0 -0.876 64.8-130.2-106.6 138.3 81.8 -90.7 -1.0 102 110 A D > - 0 0 21 4,-3.5 3,-3.0 -2,-0.4 -1,-0.1 -0.102 40.8 -80.4 -77.0 179.2 83.7 -92.6 1.7 103 111 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.695 133.9 48.3 -54.4 -21.4 82.9 -92.8 5.5 104 112 A E T 3 S- 0 0 157 2,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.324 122.9-104.5-102.0 6.8 84.5 -89.4 5.9 105 113 A G S < S+ 0 0 49 -3,-3.0 -2,-0.1 1,-0.3 -5,-0.0 0.722 78.1 133.3 79.2 21.9 82.6 -87.8 3.0 106 114 A K - 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0 0 8 -2,-0.3 3,-2.0 -3,-0.2 4,-0.2 -0.963 50.2-135.5-154.0 136.4 62.5 -84.7 -27.6 316 324 A W G > S+ 0 0 80 -8,-0.4 3,-1.6 -2,-0.3 4,-0.4 0.666 98.2 81.4 -63.5 -16.7 65.8 -84.7 -25.7 317 325 A L G >> S+ 0 0 3 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.757 77.5 69.8 -62.2 -21.9 67.4 -84.3 -29.1 318 326 A D G X4 S+ 0 0 35 -3,-2.0 3,-0.5 1,-0.3 29,-0.3 0.803 89.0 61.8 -65.4 -26.4 66.6 -80.6 -28.9 319 327 A S G <4 S+ 0 0 81 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.740 109.9 41.5 -70.1 -19.8 69.2 -80.3 -26.1 320 328 A R G <4 S+ 0 0 73 -3,-1.1 2,-2.1 -4,-0.4 -1,-0.2 0.438 85.4 107.5-102.2 -5.4 71.8 -81.4 -28.7 321 329 A A << - 0 0 0 -4,-0.6 26,-2.7 -3,-0.5 25,-0.6 -0.460 52.3-175.6 -78.5 73.2 70.3 -79.2 -31.5 322 330 A D - 0 0 25 -2,-2.1 -53,-2.6 -55,-0.3 2,-0.6 -0.482 15.4-143.3 -71.3 136.3 73.1 -76.6 -31.6 323 331 A V E -O 343 0H 1 20,-2.4 20,-2.8 -2,-0.2 2,-0.4 -0.900 10.5-154.2-108.1 121.7 72.4 -73.7 -34.1 324 332 A Y E -OP 342 332H 17 8,-0.6 8,-2.8 -2,-0.6 2,-0.4 -0.750 8.5-164.0 -95.2 137.3 75.4 -72.3 -35.9 325 333 A Y E -OP 341 331H 41 16,-3.1 15,-3.2 -2,-0.4 16,-2.0 -0.967 8.6-142.4-124.3 136.7 75.4 -68.7 -37.2 326 334 A D > - 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0 0 104 -13,-0.1 -13,-0.3 1,-0.1 3,-0.1 -0.970 30.5-153.8-161.2 157.6 80.4 -69.9 -38.9 340 348 A A S S+ 0 0 71 -15,-3.2 2,-0.3 1,-0.3 -14,-0.2 0.785 74.4 9.9-105.8 -38.6 81.0 -67.4 -36.2 341 349 A K E -O 325 0H 104 -16,-2.0 -16,-3.1 -15,-0.0 2,-0.4 -0.931 56.2-147.0-141.6 163.7 79.0 -68.5 -33.2 342 350 A V E -O 324 0H 50 -2,-0.3 2,-0.8 -18,-0.2 -18,-0.2 -0.996 6.4-153.0-134.9 137.6 76.9 -71.4 -32.0 343 351 A E E > -O 323 0H 71 -20,-2.8 -20,-2.4 -2,-0.4 3,-1.2 -0.912 31.1-137.2-109.3 99.5 73.8 -71.3 -29.7 344 352 A K T 3 S- 0 0 155 -2,-0.8 -22,-0.2 1,-0.2 -23,-0.1 -0.371 74.1 -7.0 -64.1 130.4 74.0 -74.7 -28.0 345 353 A G T 3 S+ 0 0 25 -2,-0.1 -1,-0.2 -25,-0.1 -23,-0.2 0.777 98.0 114.4 58.2 32.4 70.8 -76.7 -27.7 346 354 A K < + 0 0 151 -3,-1.2 -24,-0.2 -25,-0.6 -2,-0.1 0.455 58.2 76.8-109.5 -2.4 68.6 -73.9 -29.0 347 355 A G S S- 0 0 10 -26,-2.7 2,-0.4 -29,-0.3 -26,-0.2 0.056 76.8-104.7 -92.6-157.8 67.4 -75.5 -32.2 348 356 A K B -N 270 0G 31 -78,-2.3 -78,-0.5 -76,-0.2 2,-0.2 -0.978 20.1-168.8-142.1 128.9 64.9 -78.1 -33.1 349 357 A D - 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0 0 4 -8,-2.6 4,-1.3 -358,-0.1 3,-1.0 -0.440 35.0 -96.3 -97.8 171.8 54.5 -87.5 -40.8 362 370 A P H 3> S+ 0 0 49 0, 0.0 4,-1.6 0, 0.0 -80,-0.1 0.888 125.8 61.1 -55.5 -35.7 55.8 -89.0 -44.0 363 371 A A H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.802 97.1 56.9 -61.5 -33.0 57.7 -91.4 -41.7 364 372 A Y H X> S+ 0 0 0 -3,-1.0 4,-2.2 -11,-0.5 3,-1.0 0.971 107.4 47.5 -62.1 -52.5 54.4 -92.7 -40.1 365 373 A W H 3X S+ 0 0 50 -4,-1.3 4,-1.2 1,-0.3 -2,-0.2 0.832 107.3 59.0 -56.5 -35.1 53.1 -93.7 -43.6 366 374 A A H 3< S+ 0 0 14 -4,-1.6 -1,-0.3 1,-0.2 5,-0.2 0.767 116.6 30.7 -66.8 -30.3 56.4 -95.4 -44.4 367 375 A I H << S+ 0 0 2 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.613 112.3 61.1-107.1 -12.5 56.2 -97.8 -41.4 368 376 A I H < S+ 0 0 17 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.780 95.6 75.9 -81.9 -25.3 52.4 -98.2 -41.1 369 377 A D S < S- 0 0 61 -4,-1.2 -3,-0.0 -5,-0.2 -4,-0.0 0.012 84.6-119.1 -76.3-175.8 52.1 -99.8 -44.5 370 378 A H 0 0 161 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.241 360.0 360.0-121.3 44.9 52.9 -103.2 -45.8 371 379 A K 0 0 106 -5,-0.2 -2,-0.1 -82,-0.0 -78,-0.0 -0.853 360.0 360.0-141.2 360.0 55.5 -102.3 -48.5