==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER XYLANASE 31-AUG-95 1CLX . COMPND 2 MOLECULE: XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR G.W.HARRIS,J.A.JENKINS,I.CONNERTON,R.W.PICKERSGILL . 1380 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 934 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 3.9 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 17 1.2 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 . 1 0.1 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 . 70 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 0 0 4 0 0 0 8 0 8 4 0 8 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 12 20 4 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 . 12 10 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 . 11 9 0 0 0 0 0 4 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 G > 0 0 46 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-155.2 55.5 118.5 119.9 2 2 A L G > + 0 0 2 1,-0.2 3,-2.0 2,-0.2 35,-0.2 0.839 360.0 58.7 -44.8 -56.7 55.7 115.4 117.6 3 3 A A G > S+ 0 0 15 33,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.820 100.3 57.7 -48.3 -37.7 52.5 116.0 115.6 4 4 A S G < S+ 0 0 107 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.591 98.1 63.5 -68.6 -18.3 53.8 119.5 114.4 5 5 A L G < S+ 0 0 68 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.3 0.313 104.6 44.5 -85.2 -0.9 56.8 117.8 112.9 6 6 A A < - 0 0 25 -3,-1.2 4,-0.1 -4,-0.1 339,-0.0 -0.918 65.6-139.5-141.4 158.4 54.9 115.6 110.3 7 7 A D S S+ 0 0 142 -2,-0.3 -3,-0.1 2,-0.1 -4,-0.1 0.142 87.7 62.5-103.6 18.5 52.0 116.1 107.9 8 8 A F S S- 0 0 15 -5,-0.1 292,-0.1 1,-0.0 293,-0.1 -0.854 103.9 -64.7-133.9 167.5 50.4 112.7 108.7 9 9 A P - 0 0 18 0, 0.0 293,-2.1 0, 0.0 2,-0.5 -0.246 35.0-164.8 -63.1 135.2 48.9 111.4 111.9 10 10 A I E -a 302 0A 8 291,-0.2 28,-3.1 -4,-0.1 29,-1.0 -0.990 29.6-179.2-114.4 107.0 51.2 111.0 114.9 11 11 A G E -ab 303 39A 0 291,-2.6 293,-2.1 -2,-0.5 2,-0.3 -0.622 23.1-159.5-114.1 163.0 49.0 108.8 117.2 12 12 A V E -ab 304 40A 0 27,-1.5 29,-1.8 291,-0.2 2,-0.4 -0.996 24.6-119.2-141.4 144.8 49.1 107.2 120.7 13 13 A A E - b 0 41A 2 291,-1.7 2,-0.4 -2,-0.3 294,-0.3 -0.685 34.0-158.1 -77.8 131.4 47.1 104.3 122.3 14 14 A V E - b 0 42A 3 27,-2.2 29,-2.8 -2,-0.4 30,-0.4 -0.940 9.3-137.0-116.9 143.1 45.1 105.5 125.3 15 15 A A B +i 22 0B 21 6,-0.7 8,-2.4 -2,-0.4 9,-0.2 -0.526 23.4 169.6 -87.8 150.9 43.8 103.5 128.2 16 16 A A + 0 0 15 6,-0.2 3,-0.1 -2,-0.2 6,-0.1 -0.073 51.1 95.9-157.0 34.5 40.2 104.1 129.6 17 17 A S S S- 0 0 29 1,-0.5 595,-2.5 594,-0.0 596,-0.2 -0.087 91.7 -94.9-128.6 37.0 39.6 101.3 132.0 18 18 A G S S+ 0 0 12 593,-0.2 -1,-0.5 1,-0.2 3,-0.4 -0.045 79.9 84.1 77.5-177.9 40.6 102.8 135.3 19 19 A G S > S- 0 0 23 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 -0.258 99.9 -43.4 74.2-170.6 43.8 102.8 137.2 20 20 A N T 3 S+ 0 0 140 1,-0.3 -1,-0.2 290,-0.1 291,-0.1 0.677 133.3 53.0 -69.8 -29.1 46.8 105.1 136.7 21 21 A A T 3 S+ 0 0 19 -3,-0.4 -6,-0.7 289,-0.1 -1,-0.3 0.381 74.3 129.0 -86.9 -11.6 46.9 105.0 132.8 22 22 A D B <> -i 15 0B 13 -3,-1.0 4,-2.4 -4,-0.2 -6,-0.2 -0.316 51.9-149.8 -48.9 118.0 43.2 106.0 132.4 23 23 A I T 4 S+ 0 0 0 -8,-2.4 7,-0.2 2,-0.2 -1,-0.1 0.788 93.8 53.0 -68.0 -29.7 43.0 109.0 130.0 24 24 A F T 4 S+ 0 0 64 -9,-0.2 -1,-0.2 1,-0.2 -8,-0.1 0.913 119.3 35.1 -73.1 -28.6 39.9 110.5 131.6 25 25 A T T 4 S+ 0 0 106 -3,-0.2 2,-1.1 -6,-0.1 -2,-0.2 0.749 103.2 74.6-105.5 -29.1 41.4 110.5 135.1 26 26 A S X + 0 0 16 -4,-2.4 4,-2.5 1,-0.2 5,-0.1 -0.694 50.9 176.6 -95.4 90.9 45.1 111.2 134.3 27 27 A S H > S+ 0 0 79 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.865 82.4 59.0 -71.4 -22.5 45.2 114.9 133.4 28 28 A A H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 107.2 46.6 -62.4 -44.5 49.0 114.6 133.1 29 29 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.920 108.9 55.7 -61.7 -42.0 48.4 112.0 130.4 30 30 A Q H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.909 105.5 52.0 -54.2 -41.1 45.8 114.2 128.8 31 31 A N H X S+ 0 0 86 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.852 107.6 51.2 -73.2 -34.3 48.4 117.0 128.5 32 32 A I H X S+ 0 0 21 -4,-1.6 4,-2.1 2,-0.2 5,-0.4 0.950 112.1 47.2 -60.9 -50.4 50.9 114.8 126.8 33 33 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.944 114.4 46.9 -57.0 -41.9 48.3 113.7 124.3 34 34 A R H < S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 119.2 40.4 -69.4 -34.2 47.2 117.4 123.7 35 35 A A H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.793 129.2 21.0 -80.5 -28.8 50.8 118.5 123.4 36 36 A E H < S+ 0 0 30 -4,-2.1 -33,-2.1 -35,-0.2 2,-0.2 0.658 111.3 50.9-121.1 -33.4 52.4 115.7 121.3 37 37 A F < - 0 0 10 -4,-1.9 -26,-0.2 -5,-0.4 3,-0.1 -0.681 40.8-168.8-121.1 164.8 49.9 113.7 119.4 38 38 A N S S+ 0 0 51 -28,-3.1 37,-2.3 1,-0.3 2,-0.3 0.269 74.8 49.1-140.2 12.1 47.0 114.3 117.0 39 39 A Q E -bc 11 75A 0 -29,-1.0 -27,-1.5 35,-0.3 2,-0.3 -0.980 61.4-158.4-146.6 149.4 45.5 110.9 116.8 40 40 A I E -bc 12 76A 0 35,-2.0 37,-2.5 -2,-0.3 2,-0.4 -0.955 4.0-163.3-121.2 142.9 44.3 108.3 119.4 41 41 A T E -bc 13 77A 2 -29,-1.8 -27,-2.2 -2,-0.3 2,-0.5 -0.981 31.6-118.5-112.6 134.5 43.7 104.6 119.2 42 42 A A E -b 14 0A 0 35,-0.6 4,-0.2 -2,-0.4 -27,-0.2 -0.693 17.3-149.0 -66.4 117.6 41.7 103.0 122.0 43 43 A E S S- 0 0 19 -29,-2.8 -28,-0.2 -2,-0.5 -1,-0.2 0.908 82.1 -21.4 -51.8 -43.5 44.0 100.5 123.6 44 44 A N S > S+ 0 0 17 -30,-0.4 3,-1.6 -3,-0.1 6,-0.2 0.602 116.0 82.7-133.7 -33.9 41.1 98.2 124.5 45 45 A I T 3 S+ 0 0 14 1,-0.3 17,-0.1 16,-0.1 -2,-0.1 0.512 91.6 53.1 -82.1 2.7 37.7 99.8 124.7 46 46 A M T 3 S+ 0 0 3 33,-0.3 -1,-0.3 -4,-0.2 5,-0.1 0.381 81.3 119.0-111.2 9.4 36.9 99.7 120.9 47 47 A K S X S- 0 0 6 -3,-1.6 3,-1.0 1,-0.1 4,-0.4 -0.134 83.3 -92.0 -61.0 162.4 37.6 95.9 120.7 48 48 A M G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 41,-0.2 0.887 120.2 48.2 -61.5 -49.5 34.6 93.8 119.6 49 49 A S G > S+ 0 0 16 39,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.742 99.2 70.2 -61.5 -27.2 32.9 92.8 122.9 50 50 A Y G < S+ 0 0 36 -3,-1.0 -1,-0.3 1,-0.3 12,-0.2 0.653 88.0 66.3 -65.3 -14.0 33.0 96.4 124.2 51 51 A M G < S+ 0 0 3 -3,-1.7 7,-2.7 -4,-0.4 2,-0.3 0.282 100.0 66.1 -82.2 -0.4 30.4 97.3 121.5 52 52 A Y E < -J 57 0C 25 -3,-1.5 2,-0.4 5,-0.3 5,-0.2 -0.932 55.6-161.4-127.9 144.8 27.9 95.1 123.4 53 53 A S E > S-J 56 0C 79 3,-2.8 3,-1.7 -2,-0.3 2,-1.1 -0.937 86.8 -57.0-114.7 107.5 25.9 94.9 126.6 54 54 A G T 3 S- 0 0 30 -2,-0.4 37,-0.4 1,-0.2 551,-0.1 -0.439 122.3 -17.8 45.1 -96.8 25.1 91.2 126.3 55 55 A S T 3 S+ 0 0 90 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.2 0.586 121.2 84.2-119.3 -8.5 23.3 91.0 123.0 56 56 A N E < S-J 53 0C 109 -3,-1.7 -3,-2.8 1,-0.1 2,-0.1 -0.656 85.2-109.4 -88.7 146.0 22.4 94.7 122.4 57 57 A F E -J 52 0C 42 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.3 -0.450 35.3-172.4 -66.6 146.8 24.9 97.1 121.0 58 58 A S + 0 0 39 -7,-2.7 4,-0.2 -2,-0.1 3,-0.2 -0.826 18.8 165.6-146.5 114.6 26.2 99.6 123.5 59 59 A F > + 0 0 25 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 0.294 45.4 107.5-111.2 8.4 28.4 102.6 122.4 60 60 A T H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.915 84.0 41.0 -56.8 -47.5 28.2 104.8 125.5 61 61 A N H > S+ 0 0 99 -11,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.875 119.5 44.1 -73.0 -35.0 31.8 104.2 126.7 62 62 A S H > S+ 0 0 2 -12,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 110.1 55.3 -77.4 -35.1 33.4 104.3 123.2 63 63 A D H X S+ 0 0 52 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.840 104.0 57.8 -62.2 -38.9 31.3 107.4 122.3 64 64 A R H X S+ 0 0 124 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.887 108.8 43.8 -49.9 -52.2 32.8 109.0 125.4 65 65 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.918 113.4 49.8 -65.6 -42.4 36.4 108.4 124.2 66 66 A V H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.881 111.4 49.3 -65.3 -38.0 35.6 109.6 120.6 67 67 A S H X S+ 0 0 63 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.904 109.1 52.9 -71.1 -35.4 34.0 112.8 121.9 68 68 A W H X S+ 0 0 27 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.928 109.7 49.0 -58.2 -42.8 37.0 113.4 124.1 69 69 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 3,-1.1 0.960 109.1 52.6 -66.7 -45.5 39.3 113.0 121.0 70 70 A A H ><5S+ 0 0 76 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.876 113.1 42.2 -58.2 -40.5 37.2 115.4 119.0 71 71 A Q H 3<5S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.559 114.0 53.8 -84.6 -11.4 37.3 118.1 121.7 72 72 A N T <<5S- 0 0 36 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.059 118.4-101.5-116.9 19.9 41.0 117.6 122.4 73 73 A G T < 5S+ 0 0 59 -3,-0.7 2,-0.4 -4,-0.2 -3,-0.2 0.783 80.2 125.5 79.5 27.0 42.4 117.9 118.8 74 74 A Q < - 0 0 11 -5,-2.6 -35,-0.3 -6,-0.1 -1,-0.2 -0.950 49.0-148.5-121.6 135.4 42.7 114.2 118.1 75 75 A T E -c 39 0A 55 -37,-2.3 -35,-2.0 -2,-0.4 2,-0.4 -0.413 29.4-124.0 -83.2 175.3 41.4 112.1 115.2 76 76 A V E -c 40 0A 3 -37,-0.2 44,-2.5 -2,-0.1 45,-1.1 -0.996 12.3-153.8-128.2 137.2 40.6 108.5 116.1 77 77 A H E -cd 41 121A 1 -37,-2.5 -35,-0.6 -2,-0.4 2,-0.4 -0.947 28.2-131.4-102.1 120.8 41.9 105.2 114.6 78 78 A G E - d 0 122A 0 43,-3.5 45,-2.7 -2,-0.5 2,-0.4 -0.664 16.4-144.4 -83.2 129.3 39.3 102.5 115.3 79 79 A H E - d 0 123A 3 -2,-0.4 -33,-0.3 1,-0.2 45,-0.1 -0.927 61.5 -10.1-134.6 100.1 40.8 99.3 116.7 80 80 A A E + 0 0 2 43,-0.6 -1,-0.2 -2,-0.4 44,-0.2 0.663 32.7 172.4-156.5 148.6 39.2 96.9 115.6 81 81 A L E S+ 0 0 1 42,-2.4 2,-0.4 -3,-0.2 44,-0.2 0.897 93.9 20.0 -65.3 -41.2 36.1 95.7 113.6 82 82 A V E S+ d 0 125A 3 42,-1.0 44,-2.1 41,-0.4 2,-0.3 -0.990 71.5 142.2-140.4 118.3 37.2 92.0 113.4 83 83 A W - 0 0 23 -2,-0.4 44,-0.1 42,-0.2 -35,-0.1 -0.971 38.2-136.1-159.9 149.2 39.8 90.2 115.6 84 84 A H + 0 0 14 42,-0.4 65,-0.2 -2,-0.3 5,-0.1 0.628 53.2 121.6 -91.3 -22.2 39.9 86.7 117.1 85 85 A P > - 0 0 15 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.218 59.2-134.4 -65.5 133.5 41.0 86.7 120.8 86 86 A S G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 515,-0.1 0.805 97.7 66.4 -57.6 -32.3 38.4 85.0 122.9 87 87 A Y G 3 S+ 0 0 8 1,-0.3 -1,-0.3 516,-0.0 521,-0.1 0.777 111.3 34.9 -64.9 -26.2 38.4 87.6 125.7 88 88 A Q G < S+ 0 0 0 -3,-2.1 -39,-1.7 512,-0.1 -1,-0.3 0.252 88.0 119.9-108.6 14.0 37.1 90.3 123.3 89 89 A L < - 0 0 25 -3,-1.5 516,-0.3 -4,-0.3 -5,-0.1 -0.636 66.3-121.3 -76.3 130.6 34.7 88.1 121.2 90 90 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 -41,-0.1 -0.307 32.3-105.9 -57.2 159.0 31.1 89.1 121.3 91 91 A N T 3 S+ 0 0 63 -37,-0.4 -36,-0.1 1,-0.3 -2,-0.1 0.707 118.1 62.1 -64.4 -20.5 28.9 86.2 122.5 92 92 A W T 3 S+ 0 0 29 1,-0.2 2,-2.2 11,-0.1 -1,-0.3 0.645 79.4 89.3 -73.2 -18.2 27.6 85.6 119.0 93 93 A A < + 0 0 9 -3,-1.5 2,-0.3 10,-0.1 -1,-0.2 -0.463 64.5 121.1 -91.5 70.3 31.0 84.8 117.7 94 94 A S S S- 0 0 45 -2,-2.2 3,-0.4 55,-0.1 6,-0.1 -0.870 72.5-123.4-131.6 152.1 30.8 81.0 118.5 95 95 A D S S+ 0 0 76 -2,-0.3 5,-0.1 1,-0.2 -2,-0.1 0.664 113.5 57.8 -66.1 -15.0 31.1 77.8 116.4 96 96 A S S S+ 0 0 110 1,-0.0 2,-0.9 3,-0.0 -1,-0.2 0.726 79.5 100.9 -93.2 -24.8 27.7 76.9 117.7 97 97 A N > - 0 0 36 -3,-0.4 3,-1.6 -5,-0.2 4,-0.2 -0.494 49.5-172.6 -74.8 102.9 25.9 80.0 116.4 98 98 A A T 3 S+ 0 0 101 -2,-0.9 3,-0.2 1,-0.3 -1,-0.2 0.620 86.9 56.6 -70.4 -11.9 24.1 79.0 113.2 99 99 A N T >> S+ 0 0 83 1,-0.1 4,-1.9 2,-0.1 3,-0.6 0.142 74.3 123.5-101.1 22.6 23.2 82.7 112.5 100 100 A F H <> + 0 0 2 -3,-1.6 4,-3.0 1,-0.3 5,-0.3 0.895 68.5 48.7 -53.3 -47.9 27.0 83.6 112.6 101 101 A R H 3> S+ 0 0 134 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.874 113.4 49.0 -68.3 -33.6 27.3 85.2 109.2 102 102 A Q H <> S+ 0 0 123 -3,-0.6 4,-1.9 2,-0.2 -1,-0.3 0.844 113.6 44.9 -66.1 -40.3 24.3 87.4 109.9 103 103 A D H X S+ 0 0 26 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.836 111.5 54.8 -77.6 -34.0 25.5 88.5 113.3 104 104 A F H X S+ 0 0 2 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.929 110.6 45.2 -61.2 -46.9 28.9 89.0 111.7 105 105 A A H X S+ 0 0 9 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.884 110.8 52.4 -63.6 -39.7 27.4 91.3 109.1 106 106 A R H X S+ 0 0 115 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.852 107.4 54.8 -65.6 -36.4 25.2 93.2 111.6 107 107 A H H X S+ 0 0 3 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.969 113.2 39.4 -57.6 -56.2 28.4 93.9 113.7 108 108 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.4 0.949 119.2 46.8 -64.7 -49.6 30.3 95.5 110.8 109 109 A D H X S+ 0 0 58 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.883 117.6 42.8 -56.4 -47.8 27.2 97.4 109.5 110 110 A T H X S+ 0 0 47 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.970 117.9 41.4 -72.1 -52.7 26.2 98.7 112.9 111 111 A V H X S+ 0 0 2 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.935 117.7 45.7 -61.6 -40.6 29.6 99.6 114.3 112 112 A A H < S+ 0 0 0 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.926 116.1 46.6 -73.1 -41.0 31.0 101.2 111.1 113 113 A A H >< S+ 0 0 50 -4,-1.7 3,-1.2 -5,-0.4 -1,-0.2 0.892 108.4 57.2 -60.9 -43.1 27.7 103.1 110.5 114 114 A H H 3< S+ 0 0 65 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.910 114.7 35.7 -58.6 -43.8 27.6 104.2 114.1 115 115 A F T >X S+ 0 0 0 -4,-1.8 3,-3.3 1,-0.2 4,-1.1 0.407 84.3 146.4 -92.4 9.4 31.0 105.9 114.0 116 116 A A T <4 S+ 0 0 27 -3,-1.2 3,-0.2 -4,-0.3 -1,-0.2 0.619 78.1 4.0 -25.5 -65.3 30.5 107.1 110.4 117 117 A G T 34 S+ 0 0 73 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.196 118.3 75.3-119.6 41.0 32.3 110.3 110.2 118 118 A Q T <4 S+ 0 0 112 -3,-3.3 2,-0.4 1,-0.1 -2,-0.2 0.485 88.3 63.2-115.6 -10.9 33.8 110.4 113.7 119 119 A V < - 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0 0 17 -4,-1.5 4,-2.0 1,-0.2 -1,-0.1 -0.827 49.7-178.4-111.0 97.6 59.3 97.2 151.0 373 27 B S H > S+ 0 0 78 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.864 85.0 60.2 -57.8 -34.1 59.2 97.0 154.8 374 28 B A H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 107.6 43.6 -63.5 -44.0 55.4 96.6 154.6 375 29 B R H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.849 110.9 54.9 -63.2 -45.8 55.8 93.4 152.6 376 30 B Q H X S+ 0 0 36 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.921 107.3 50.8 -52.8 -45.3 58.6 92.2 154.9 377 31 B N H X S+ 0 0 84 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.859 108.9 51.4 -64.0 -39.3 56.2 92.6 157.9 378 32 B I H X S+ 0 0 22 -4,-1.6 4,-2.1 2,-0.2 5,-0.3 0.941 111.1 47.5 -61.4 -49.5 53.5 90.7 156.1 379 33 B V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.938 112.3 49.4 -54.0 -45.0 55.9 87.8 155.4 380 34 B R H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 117.3 42.2 -65.8 -40.5 57.1 87.8 159.0 381 35 B A H < S+ 0 0 55 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.763 127.7 20.4 -69.0 -35.3 53.5 87.8 160.3 382 36 B E H < S+ 0 0 30 -4,-2.1 -33,-1.8 -35,-0.2 2,-0.3 0.679 110.4 53.0-119.2 -27.5 51.8 85.3 158.0 383 37 B F < - 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0 0 13 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.236 60.0-134.8 -65.6 142.0 61.8 79.1 129.1 432 86 B S G > S+ 0 0 49 1,-0.3 3,-1.3 2,-0.2 -177,-0.0 0.790 98.2 67.5 -65.9 -36.0 64.4 80.9 127.0 433 87 B Y G 3 S+ 0 0 9 1,-0.2 -1,-0.3 -178,-0.0 -171,-0.1 0.764 111.3 35.9 -53.5 -29.9 64.6 84.1 129.1 434 88 B Q G < S+ 0 0 0 -3,-1.5 -39,-1.3 -180,-0.1 -1,-0.2 0.241 85.9 116.9-114.0 11.9 66.1 82.0 131.9 435 89 B L < - 0 0 25 -3,-1.3 -176,-0.3 -4,-0.3 -5,-0.1 -0.647 65.7-123.1 -80.4 129.3 68.3 79.5 130.2 436 90 B P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 -41,-0.1 -0.356 33.6-101.6 -59.6 159.2 72.1 79.8 130.9 437 91 B N T 3 S+ 0 0 63 -37,-0.4 -36,-0.1 1,-0.3 290,-0.1 0.710 120.0 61.8 -56.3 -28.3 74.2 80.3 127.8 438 92 B W T 3 S+ 0 0 28 1,-0.1 2,-1.9 11,-0.1 -1,-0.3 0.640 78.5 89.2 -67.8 -23.6 75.3 76.6 127.9 439 93 B A < + 0 0 10 -3,-1.6 2,-0.3 10,-0.1 -1,-0.1 -0.591 66.5 120.6 -89.9 74.1 71.7 75.3 127.4 440 94 B S S > S- 0 0 40 -2,-1.9 3,-1.1 3,-0.1 6,-0.1 -0.966 72.6-129.5-138.3 143.9 71.9 75.4 123.6 441 95 B D T 3 S+ 0 0 31 -2,-0.3 5,-0.1 1,-0.2 581,-0.0 0.665 112.4 61.7 -62.4 -21.7 71.5 72.8 120.8 442 96 B S T 3 S+ 0 0 19 582,-0.2 2,-0.8 577,-0.0 -1,-0.2 0.359 81.5 99.2 -87.4 -4.5 74.8 74.2 119.6 443 97 B N X - 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