==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-00 1E5N . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR L.LO LEGGIO,J.A.JENKINS,G.W.HARRIS,R.W.PICKERSGILL . 692 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 2 0.3 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 . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 2 0 0 0 4 0 2 4 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 8 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 . 6 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 4 0 0 0 0 0 2 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 45 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-166.9 74.5 35.7 105.8 2 2 A L G > + 0 0 2 1,-0.2 3,-2.3 2,-0.2 4,-0.4 0.918 360.0 59.2 -53.6 -48.1 73.8 32.9 103.2 3 3 A A G > S+ 0 0 17 33,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.753 97.1 62.2 -55.7 -26.8 76.9 31.0 104.0 4 4 A S G < S+ 0 0 100 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.569 96.9 59.2 -75.8 -11.4 75.8 30.6 107.7 5 5 A L G < S+ 0 0 70 -3,-2.3 2,-0.3 -4,-0.3 -1,-0.2 0.496 103.8 52.3 -96.5 -3.3 72.7 28.6 106.7 6 6 A A < - 0 0 20 -3,-0.9 4,-0.1 -4,-0.4 339,-0.0 -0.920 63.2-143.9-133.3 159.7 74.5 25.8 104.9 7 7 A D S S+ 0 0 136 -2,-0.3 -3,-0.1 2,-0.1 -4,-0.1 0.209 86.3 61.5-106.4 14.1 77.2 23.3 105.5 8 8 A F S S- 0 0 14 -5,-0.1 293,-0.1 1,-0.1 -2,-0.1 -0.859 104.8 -65.8-129.5 162.6 78.6 23.3 102.0 9 9 A P - 0 0 18 0, 0.0 293,-1.9 0, 0.0 2,-0.5 -0.179 36.7-166.4 -55.0 137.6 80.1 26.3 100.1 10 10 A I E +a 302 0A 9 291,-0.2 28,-2.4 -4,-0.1 29,-0.8 -0.962 30.1 170.9-123.8 102.9 77.9 29.2 99.1 11 11 A G E -ab 303 39A 1 291,-2.2 293,-2.2 -2,-0.5 2,-0.3 -0.589 27.0-156.1-116.4 179.5 79.9 31.2 96.6 12 12 A V E -ab 304 40A 0 27,-1.2 29,-1.8 291,-0.3 2,-0.3 -0.971 26.2-111.8-150.3 151.7 79.8 34.0 94.1 13 13 A A E - b 0 41A 3 291,-1.5 2,-0.4 -2,-0.3 294,-0.2 -0.709 33.1-150.0 -87.1 141.8 81.8 35.0 91.0 14 14 A V E - b 0 42A 3 27,-2.4 29,-1.9 -2,-0.3 30,-0.6 -0.922 7.0-139.4-122.6 138.0 84.0 38.0 91.2 15 15 A A B +i 22 0B 19 6,-0.6 8,-2.2 -2,-0.4 9,-0.2 -0.612 24.2 167.3 -83.7 149.7 85.1 40.5 88.6 16 16 A A + 0 0 14 -2,-0.2 3,-0.1 6,-0.2 -1,-0.1 0.013 48.0 96.9-153.3 36.4 88.7 41.7 88.8 17 17 A S S S- 0 0 32 1,-0.6 596,-2.2 595,-0.0 597,-0.2 0.032 94.3 -90.2-121.5 33.1 89.2 43.5 85.5 18 18 A G S S+ 0 0 14 594,-0.2 -1,-0.6 1,-0.2 3,-0.2 -0.314 83.3 92.4 84.1 178.6 88.7 47.2 86.3 19 19 A G S > S- 0 0 31 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 -0.253 95.1 -56.4 93.7-179.8 85.2 48.7 86.1 20 20 A N T 3 S+ 0 0 138 1,-0.2 -1,-0.2 290,-0.1 291,-0.1 0.817 132.8 52.5 -72.6 -29.4 82.5 49.1 88.7 21 21 A A T 3 S+ 0 0 18 -3,-0.2 -6,-0.6 289,-0.1 -1,-0.2 0.548 74.1 129.8 -83.3 -8.8 82.3 45.4 89.5 22 22 A D B X> -i 15 0B 13 -3,-0.7 4,-1.9 -4,-0.2 3,-0.6 -0.274 52.5-148.3 -51.8 122.3 86.1 45.0 90.2 23 23 A I T 34 S+ 0 0 0 -8,-2.2 7,-0.3 1,-0.2 -1,-0.1 0.821 94.9 53.4 -64.4 -33.5 86.3 43.3 93.6 24 24 A F T 34 S+ 0 0 62 -9,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.646 116.5 40.0 -77.1 -17.4 89.6 45.0 94.6 25 25 A T T <4 S+ 0 0 106 -3,-0.6 2,-0.9 1,-0.1 -2,-0.2 0.703 101.6 70.3-104.2 -28.0 88.0 48.4 93.9 26 26 A S X - 0 0 19 -4,-1.9 4,-2.2 1,-0.2 -1,-0.1 -0.810 50.6-178.5 -99.7 104.5 84.5 48.1 95.2 27 27 A S H > S+ 0 0 81 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.866 85.4 59.9 -68.3 -32.5 84.4 48.0 99.0 28 28 A A H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 107.2 47.1 -61.5 -36.9 80.6 47.7 99.0 29 29 A R H >> S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.971 108.9 53.1 -69.1 -42.8 81.2 44.5 97.0 30 30 A Q H 3X S+ 0 0 35 -4,-2.2 4,-2.6 -7,-0.3 -1,-0.2 0.874 107.0 53.9 -58.0 -38.1 83.8 43.2 99.3 31 31 A N H 3X S+ 0 0 89 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.840 107.9 49.0 -68.0 -34.3 81.4 43.8 102.2 32 32 A I H S+ 0 0 22 -4,-1.5 4,-2.4 -3,-0.7 5,-0.5 0.945 112.1 48.4 -69.9 -43.7 78.7 41.7 100.5 33 33 A V H X5S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.940 112.6 48.3 -60.0 -46.3 81.2 38.9 99.9 34 34 A R H <5S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 118.3 41.2 -63.5 -32.0 82.4 39.0 103.5 35 35 A A H <5S+ 0 0 58 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.712 127.6 23.2 -90.2 -25.9 78.9 38.9 104.8 36 36 A E H <5S+ 0 0 30 -4,-2.4 -33,-2.6 -35,-0.2 -3,-0.2 0.740 110.9 50.5-115.9 -29.4 77.2 36.4 102.6 37 37 A F << - 0 0 11 -4,-1.8 -26,-0.2 -5,-0.5 3,-0.1 -0.542 39.5-169.3-114.7 169.2 79.6 34.0 101.0 38 38 A N S S+ 0 0 49 -28,-2.4 37,-2.1 1,-0.2 2,-0.3 0.137 78.0 45.0-136.7 14.0 82.5 31.7 101.8 39 39 A Q E -bc 11 75A 0 -29,-0.8 -27,-1.2 35,-0.3 2,-0.3 -0.977 60.4-164.5-154.4 149.6 83.7 30.9 98.4 40 40 A I E -bc 12 76A 0 35,-1.9 37,-2.2 -2,-0.3 2,-0.4 -0.978 6.5-158.9-135.3 150.1 84.5 32.8 95.3 41 41 A T E -bc 13 77A 1 -29,-1.8 -27,-2.4 -2,-0.3 2,-0.7 -0.981 31.8-117.1-124.2 134.5 85.1 31.8 91.6 42 42 A A E -b 14 0A 0 35,-0.7 4,-0.3 -2,-0.4 -27,-0.1 -0.689 18.6-148.7 -74.4 119.0 87.0 34.2 89.4 43 43 A E S S- 0 0 28 -29,-1.9 -1,-0.2 -2,-0.7 -28,-0.1 0.894 81.8 -18.1 -56.7 -35.9 84.5 35.2 86.7 44 44 A N S > S+ 0 0 15 -30,-0.6 3,-1.6 -3,-0.1 6,-0.2 0.666 114.1 80.3-142.3 -33.3 87.4 35.7 84.2 45 45 A I T 3 S+ 0 0 12 1,-0.3 17,-0.2 16,-0.1 -2,-0.1 0.403 92.0 57.0 -71.9 4.1 91.0 36.1 85.4 46 46 A M T 3 S+ 0 0 4 33,-0.4 -1,-0.3 -4,-0.3 2,-0.1 0.235 78.9 114.8-113.2 11.6 91.6 32.4 85.9 47 47 A K S X S- 0 0 11 -3,-1.6 3,-1.6 1,-0.1 4,-0.4 -0.436 83.9 -88.1 -75.8 161.6 90.8 31.3 82.4 48 48 A M G > S+ 0 0 1 32,-0.3 3,-1.7 1,-0.3 41,-0.2 0.759 120.9 45.4 -39.0 -61.2 93.6 29.8 80.3 49 49 A S G > S+ 0 0 16 39,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.746 101.4 70.2 -64.6 -20.0 95.3 32.7 78.6 50 50 A Y G < S+ 0 0 46 -3,-1.6 -1,-0.3 1,-0.3 12,-0.2 0.648 86.7 66.7 -72.2 -10.2 95.3 34.7 81.9 51 51 A M G < S+ 0 0 5 -3,-1.7 7,-2.7 -4,-0.4 2,-0.3 0.408 99.6 65.6 -85.0 1.1 97.9 32.3 83.2 52 52 A Y E < -J 57 0C 30 -3,-1.6 2,-0.5 5,-0.3 5,-0.2 -0.934 55.0-160.6-131.3 152.5 100.5 33.6 80.7 53 53 A S E > S-J 56 0C 78 3,-2.8 3,-1.8 -2,-0.3 2,-0.8 -0.935 86.5 -49.3-122.1 95.8 102.5 36.7 79.6 54 54 A G T 3 S- 0 0 35 -2,-0.5 37,-0.4 1,-0.2 552,-0.1 -0.608 123.6 -24.1 74.1-112.4 103.4 35.8 76.0 55 55 A S T 3 S+ 0 0 90 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.332 122.8 86.2-115.4 2.9 104.7 32.3 76.4 56 56 A N E < S-J 53 0C 106 -3,-1.8 -3,-2.8 1,-0.0 2,-0.2 -0.748 84.8-106.5-103.1 151.2 105.8 32.4 80.0 57 57 A F E -J 52 0C 42 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.509 33.7-172.9 -75.8 145.2 103.5 31.7 82.9 58 58 A S + 0 0 44 -7,-2.7 4,-0.2 -2,-0.2 3,-0.1 -0.873 16.3 166.9-143.8 110.2 102.4 34.7 84.9 59 59 A F > + 0 0 24 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 0.336 44.3 109.7-105.9 6.8 100.4 34.2 88.1 60 60 A T H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.918 81.8 38.8 -51.2 -55.9 100.6 37.7 89.5 61 61 A N H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.951 118.0 47.1 -65.9 -45.6 97.0 38.8 89.1 62 62 A S H > S+ 0 0 3 -12,-0.2 4,-2.8 1,-0.2 5,-0.2 0.901 109.7 55.1 -65.0 -32.7 95.4 35.5 90.0 63 63 A D H X S+ 0 0 51 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.912 104.0 54.9 -63.8 -37.9 97.7 35.2 93.0 64 64 A R H X S+ 0 0 122 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.876 111.9 44.1 -60.8 -40.4 96.4 38.6 94.2 65 65 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.893 113.6 48.4 -71.6 -45.6 92.8 37.3 94.0 66 66 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.913 113.4 49.1 -61.3 -42.7 93.6 34.0 95.7 67 67 A S H X S+ 0 0 58 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.910 109.4 51.5 -63.9 -44.1 95.4 35.8 98.4 68 68 A W H X S+ 0 0 25 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.904 108.7 52.3 -59.7 -42.5 92.5 38.3 98.9 69 69 A A H ><>S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 5,-1.6 0.991 108.2 50.6 -57.8 -53.8 90.0 35.4 99.2 70 70 A A H ><5S+ 0 0 75 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.810 110.4 48.9 -54.6 -37.5 92.1 33.7 101.9 71 71 A Q H 3<5S+ 0 0 157 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.583 112.6 49.9 -81.5 -9.1 92.3 37.0 103.9 72 72 A N T <<5S- 0 0 32 -3,-2.2 -1,-0.2 -4,-0.8 -2,-0.2 0.099 119.3 -99.7-118.5 26.4 88.6 37.4 103.6 73 73 A G T < 5S+ 0 0 58 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.796 79.3 128.1 65.1 34.7 87.3 34.0 104.7 74 74 A Q < - 0 0 11 -5,-1.6 -35,-0.3 -6,-0.1 -1,-0.2 -0.944 47.4-148.5-124.0 138.7 86.6 32.6 101.2 75 75 A T E -c 39 0A 53 -37,-2.1 -35,-1.9 -2,-0.4 2,-0.4 -0.471 28.5-121.8 -88.9 176.0 87.8 29.3 99.7 76 76 A V E -c 40 0A 3 42,-0.2 45,-1.3 -37,-0.2 44,-1.2 -0.974 16.0-160.2-133.3 132.2 88.4 29.3 95.9 77 77 A H E -cd 41 121A 2 -37,-2.2 -35,-0.7 -2,-0.4 2,-0.5 -0.923 26.3-132.8-104.0 126.3 87.0 27.4 93.0 78 78 A G E - d 0 122A 0 43,-3.0 45,-2.9 -2,-0.5 2,-0.4 -0.732 12.7-146.3 -85.8 127.5 89.2 27.5 89.9 79 79 A H E - d 0 123A 7 -2,-0.5 -33,-0.4 1,-0.3 45,-0.1 -0.961 64.5 -7.9-132.7 104.7 87.5 28.2 86.6 80 80 A A E + 0 0 3 43,-0.5 -32,-0.3 -2,-0.4 -1,-0.3 0.706 32.4 172.2-151.1 158.5 89.0 26.6 84.6 81 81 A L E S+ 0 0 1 42,-2.4 2,-0.4 -3,-0.3 44,-0.2 0.930 95.8 20.3 -70.4 -45.8 91.9 24.4 83.6 82 82 A V E S+ d 0 125A 2 42,-1.2 44,-2.0 41,-0.4 2,-0.3 -0.987 71.6 148.0-129.9 128.5 90.7 23.6 80.1 83 83 A W E - d 0 126A 23 -2,-0.4 44,-0.1 42,-0.2 45,-0.0 -0.978 36.6-136.5-158.0 145.4 88.1 25.5 78.0 84 84 A H + 0 0 15 42,-0.5 65,-0.2 -2,-0.3 5,-0.1 0.704 54.9 119.1 -83.0 -29.2 87.6 26.1 74.3 85 85 A P > - 0 0 21 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.217 58.5-138.0 -44.4 121.3 86.8 29.8 73.5 86 86 A S G > S+ 0 0 56 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.810 96.5 69.1 -52.7 -38.9 89.4 31.3 71.3 87 87 A Y G 3 S+ 0 0 9 1,-0.3 -1,-0.3 517,-0.0 522,-0.1 0.818 110.9 33.8 -54.5 -31.9 89.5 34.6 73.2 88 88 A Q G < S+ 0 0 0 -3,-1.6 -39,-2.2 2,-0.1 -1,-0.3 0.268 88.8 123.2-108.1 13.7 91.1 32.9 76.2 89 89 A L < - 0 0 24 -3,-1.7 517,-0.2 -4,-0.3 -5,-0.1 -0.560 64.4-121.5 -76.6 128.1 93.1 30.3 74.4 90 90 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 -41,-0.1 -0.319 31.9-107.0 -63.3 158.8 96.9 30.3 75.2 91 91 A N T 3 S+ 0 0 65 -37,-0.4 -36,-0.1 1,-0.3 -2,-0.1 0.726 118.1 59.4 -61.8 -23.5 99.0 30.9 72.1 92 92 A W T 3 S+ 0 0 27 1,-0.2 2,-2.7 11,-0.1 -1,-0.3 0.719 79.1 94.3 -75.3 -23.6 100.2 27.2 72.0 93 93 A A < + 0 0 11 -3,-1.5 2,-0.3 10,-0.1 -1,-0.2 -0.402 64.8 124.7 -70.4 74.1 96.6 26.0 71.8 94 94 A S S > S- 0 0 40 -2,-2.7 3,-0.9 3,-0.1 6,-0.1 -0.954 71.9-129.7-137.3 153.9 96.7 25.8 68.0 95 95 A D T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.572 112.6 56.1 -72.1 -12.5 96.1 23.3 65.2 96 96 A S T 3 S+ 0 0 113 -4,-0.0 2,-0.9 1,-0.0 -1,-0.2 0.539 81.7 100.1 -96.0 -9.6 99.5 24.4 63.8 97 97 A N X - 0 0 36 -3,-0.9 3,-1.6 -5,-0.2 -3,-0.1 -0.695 50.7-170.0 -84.3 106.5 101.5 23.6 67.0 98 98 A A T 3 S+ 0 0 110 -2,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.663 87.4 58.2 -67.6 -14.0 103.2 20.2 66.7 99 99 A N T >> S+ 0 0 82 1,-0.2 4,-2.6 2,-0.1 3,-0.7 0.185 70.5 122.8-100.4 19.7 104.1 20.3 70.4 100 100 A F H <> S+ 0 0 1 -3,-1.6 4,-3.0 1,-0.2 5,-0.2 0.861 70.2 47.9 -47.3 -54.3 100.4 20.6 71.4 101 101 A R H 3> S+ 0 0 137 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.808 114.8 47.8 -60.5 -32.6 100.2 17.5 73.7 102 102 A Q H <> S+ 0 0 120 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.906 113.7 45.4 -75.5 -40.0 103.4 18.6 75.4 103 103 A D H X S+ 0 0 31 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.875 111.9 53.7 -70.4 -34.3 102.2 22.2 75.9 104 104 A F H X S+ 0 0 2 -4,-3.0 4,-1.9 -5,-0.3 5,-0.2 0.982 110.3 46.3 -62.0 -53.5 98.8 20.9 77.1 105 105 A A H X S+ 0 0 10 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.921 111.0 52.5 -57.5 -44.3 100.5 18.7 79.7 106 106 A R H X S+ 0 0 105 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.910 106.1 55.6 -59.5 -41.0 102.7 21.6 80.8 107 107 A H H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.953 113.8 37.7 -56.1 -57.7 99.7 23.9 81.3 108 108 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 5,-0.4 0.894 116.5 51.3 -59.6 -49.7 97.9 21.5 83.7 109 109 A D H X S+ 0 0 61 -4,-2.7 4,-1.6 -5,-0.2 5,-0.2 0.956 116.2 42.4 -54.0 -51.3 101.0 20.4 85.5 110 110 A T H X S+ 0 0 45 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.907 117.4 38.6 -67.7 -52.0 102.1 23.9 86.1 111 111 A V H X S+ 0 0 2 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.884 116.9 50.5 -74.3 -30.4 98.9 25.8 87.1 112 112 A A H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.870 116.6 41.7 -70.7 -37.8 97.4 23.0 89.2 113 113 A A H >< S+ 0 0 48 -4,-1.6 3,-1.6 -5,-0.4 4,-0.2 0.911 109.0 59.9 -72.8 -42.0 100.7 22.6 91.1 114 114 A H H 3< S+ 0 0 70 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.902 117.2 30.9 -54.0 -45.6 101.1 26.4 91.4 115 115 A F T >X S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-1.4 0.302 85.2 135.1 -95.5 8.9 97.8 26.8 93.3 116 116 A A T <4 S+ 0 0 28 -3,-1.6 57,-0.2 1,-0.3 -1,-0.2 0.638 78.0 21.2 -29.0 -54.1 98.0 23.3 95.0 117 117 A G T 34 S+ 0 0 73 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.493 119.2 61.8-104.7 7.6 97.1 24.2 98.5 118 118 A Q T <4 S+ 0 0 105 -3,-2.1 2,-0.5 1,-0.1 -42,-0.2 0.637 90.8 67.3-106.5 -14.1 95.2 27.4 97.9 119 119 A V < - 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0 0 18 -4,-1.9 4,-2.2 1,-0.2 -1,-0.1 -0.811 50.6-178.5 -99.7 104.4 70.2 62.3 79.1 374 27 B S H > S+ 0 0 79 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.866 85.4 59.9 -68.3 -32.5 70.4 66.0 78.2 375 28 B A H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 107.2 47.1 -61.5 -36.9 74.1 65.7 77.7 376 29 B R H >> S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.972 108.9 53.1 -69.1 -42.7 73.3 63.1 75.0 377 30 B Q H 3X S+ 0 0 34 -4,-2.2 4,-2.6 -7,-0.3 -1,-0.2 0.874 107.0 53.9 -58.0 -38.1 70.7 65.4 73.4 378 31 B N H 3X S+ 0 0 84 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.841 107.9 49.0 -68.0 -34.3 73.3 68.2 73.2 379 32 B I H S+ 0 0 20 -4,-1.5 4,-2.4 -3,-0.7 5,-0.5 0.944 112.1 48.4 -69.9 -43.8 75.7 65.9 71.4 380 33 B V H X5S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.940 112.6 48.3 -59.9 -46.3 73.1 64.9 68.9 381 34 B R H <5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 118.2 41.2 -63.5 -32.0 72.0 68.5 68.3 382 35 B A H <5S+ 0 0 57 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.712 127.6 23.3 -90.2 -25.9 75.6 69.6 67.8 383 36 B E H <5S+ 0 0 30 -4,-2.4 -33,-2.6 -35,-0.2 -3,-0.2 0.740 110.9 50.4-115.9 -29.4 77.0 66.8 65.8 384 37 B F << - 0 0 11 -4,-1.8 -26,-0.2 -5,-0.5 3,-0.1 -0.543 39.5-169.4-114.7 169.2 74.4 64.9 63.9 385 38 B N S S+ 0 0 50 -28,-2.4 37,-2.1 1,-0.2 2,-0.3 0.137 77.9 45.1-136.7 14.0 71.5 65.5 61.5 386 39 B Q E -rs 358 422H 0 -29,-0.8 -27,-1.2 35,-0.3 2,-0.3 -0.977 60.4-164.5-154.4 149.6 70.0 62.0 61.5 387 40 B I E -rs 359 423H 0 35,-1.9 37,-2.2 -2,-0.3 2,-0.4 -0.978 6.5-158.9-135.2 150.2 69.2 59.3 64.1 388 41 B T E -rs 360 424H 1 -29,-1.8 -27,-2.4 -2,-0.3 2,-0.7 -0.980 31.8-117.1-124.2 134.4 68.4 55.6 63.9 389 42 B A E -r 361 0H 0 35,-0.7 4,-0.3 -2,-0.4 -27,-0.1 -0.690 18.6-148.7 -74.4 119.0 66.5 54.0 66.8 390 43 B E S S- 0 0 27 -29,-1.9 -1,-0.2 -2,-0.7 -28,-0.1 0.894 81.8 -18.0 -56.7 -35.9 68.9 51.5 68.2 391 44 B N S > S+ 0 0 19 -30,-0.6 3,-1.6 -3,-0.1 6,-0.2 0.667 114.1 80.3-142.3 -33.3 66.0 49.2 69.3 392 45 B I T 3 S+ 0 0 12 1,-0.3 17,-0.2 16,-0.1 -2,-0.1 0.402 92.0 57.0 -71.9 4.2 62.5 50.7 69.6 393 46 B M T 3 S+ 0 0 4 33,-0.4 -1,-0.3 -4,-0.3 2,-0.1 0.235 78.9 114.8-113.2 11.5 61.7 50.5 65.9 394 47 B K S X S- 0 0 10 -3,-1.6 3,-1.6 1,-0.1 4,-0.4 -0.436 83.9 -88.1 -75.8 161.6 62.3 46.8 65.5 395 48 B M G > S+ 0 0 1 32,-0.3 3,-1.7 1,-0.3 41,-0.2 0.759 120.9 45.4 -38.9 -61.2 59.3 44.6 64.6 396 49 B S G > S+ 0 0 21 39,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.746 101.4 70.2 -64.7 -20.0 57.7 43.6 67.9 397 50 B Y G < S+ 0 0 40 -3,-1.6 -1,-0.3 1,-0.3 12,-0.2 0.648 86.6 66.7 -72.1 -10.2 58.0 47.2 69.2 398 51 B M G < S+ 0 0 4 -3,-1.7 7,-2.7 -4,-0.4 2,-0.3 0.408 99.6 65.6 -85.0 1.1 55.3 48.2 66.7 399 52 B Y E < -Z 404 0J 30 -3,-1.6 2,-0.5 5,-0.3 5,-0.2 -0.934 55.0-160.6-131.3 152.6 52.7 46.1 68.6 400 53 B S E > S-Z 403 0J 78 3,-2.8 3,-1.8 -2,-0.3 2,-0.8 -0.935 86.5 -49.3-122.2 95.8 50.8 45.8 71.9 401 54 B G T 3 S- 0 0 37 -2,-0.5 37,-0.4 1,-0.2 -142,-0.1 -0.609 123.6 -24.1 74.1-112.3 49.7 42.1 71.8 402 55 B S T 3 S+ 0 0 88 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.331 122.8 86.2-115.5 2.9 48.2 41.8 68.4 403 56 B N E < S-Z 400 0J 110 -3,-1.8 -3,-2.8 1,-0.0 2,-0.2 -0.748 84.8-106.5-103.1 151.2 47.3 45.5 67.8 404 57 B F E -Z 399 0J 43 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.509 33.7-172.9 -75.8 145.2 49.7 48.1 66.4 405 58 B S + 0 0 41 -7,-2.7 4,-0.2 -2,-0.2 3,-0.1 -0.874 16.3 166.9-143.8 110.1 51.1 50.6 68.9 406 59 B F > + 0 0 24 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 0.337 44.3 109.7-105.8 6.9 53.1 53.5 67.7 407 60 B T H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.917 81.8 38.8 -51.3 -55.8 53.2 55.6 70.8 408 61 B N H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.951 118.1 47.1 -65.9 -45.6 56.8 55.1 71.8 409 62 B S H > S+ 0 0 3 -12,-0.2 4,-2.8 1,-0.2 5,-0.2 0.901 109.7 55.1 -65.1 -32.7 58.2 55.3 68.3 410 63 B D H X S+ 0 0 52 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.913 104.0 54.9 -63.9 -38.0 56.1 58.4 67.5 411 64 B R H X S+ 0 0 119 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.877 111.9 44.1 -60.8 -40.4 57.6 60.1 70.6 412 65 B L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.893 113.6 48.4 -71.6 -45.5 61.1 59.4 69.2 413 66 B V H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.913 113.3 49.1 -61.2 -42.7 60.2 60.5 65.6 414 67 B S H X S+ 0 0 59 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.911 109.4 51.5 -63.9 -44.2 58.6 63.6 67.0 415 68 B W H X S+ 0 0 27 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.904 108.7 52.3 -59.6 -42.5 61.7 64.4 69.1 416 69 B A H ><>S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 5,-1.6 0.991 108.2 50.6 -57.9 -53.8 64.0 64.0 66.1 417 70 B A H ><5S+ 0 0 74 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.809 110.4 48.9 -54.6 -37.5 61.9 66.4 64.0 418 71 B Q H 3<5S+ 0 0 157 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.584 112.6 49.9 -81.4 -9.0 62.0 69.1 66.8 419 72 B N T <<5S- 0 0 34 -3,-2.2 -1,-0.2 -4,-0.8 -2,-0.2 0.099 119.3 -99.7-118.5 26.3 65.7 68.7 67.1 420 73 B G T < 5S+ 0 0 58 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.796 79.3 128.1 65.2 34.7 66.9 69.0 63.5 421 74 B Q < - 0 0 11 -5,-1.6 -35,-0.3 -6,-0.1 -1,-0.2 -0.943 47.4-148.5-124.0 138.7 67.3 65.3 62.8 422 75 B T E -s 386 0H 55 -37,-2.1 -35,-1.9 -2,-0.4 2,-0.4 -0.471 28.5-121.8 -89.0 176.0 65.9 63.1 60.0 423 76 B V E -s 387 0H 2 42,-0.2 45,-1.3 -37,-0.2 44,-1.2 -0.974 16.0-160.2-133.2 132.2 65.2 59.5 60.8 424 77 B H E -st 388 468H 2 -37,-2.2 -35,-0.7 -2,-0.4 2,-0.5 -0.923 26.3-132.8-104.1 126.3 66.3 56.2 59.3 425 78 B G E - t 0 469H 0 43,-3.0 45,-2.9 -2,-0.5 2,-0.4 -0.732 12.7-146.3 -85.8 127.5 64.0 53.3 60.2 426 79 B H E - t 0 470H 7 -2,-0.5 -33,-0.4 1,-0.3 45,-0.1 -0.961 64.5 -7.9-132.8 104.8 65.6 50.2 61.5 427 80 B A E + 0 0 3 43,-0.5 -32,-0.3 -2,-0.4 -1,-0.3 0.706 32.4 172.2-151.1 158.5 63.9 47.9 60.4 428 81 B L E S+ 0 0 1 42,-2.4 2,-0.4 -3,-0.3 44,-0.2 0.930 95.8 20.3 -70.5 -45.7 60.8 46.7 58.6 429 82 B V E S+ t 0 472H 1 42,-1.2 44,-2.0 41,-0.4 2,-0.3 -0.987 71.6 148.0-130.0 128.5 61.8 43.0 58.4 430 83 B W E - t 0 473H 22 -2,-0.4 44,-0.1 42,-0.2 45,-0.0 -0.978 36.6-136.5-158.0 145.4 64.4 41.2 60.6 431 84 B H + 0 0 13 42,-0.5 65,-0.2 -2,-0.3 5,-0.1 0.704 54.9 119.1 -83.0 -29.2 64.8 37.7 61.9 432 85 B P > - 0 0 17 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.217 58.5-137.9 -44.4 121.3 65.8 37.6 65.6 433 86 B S G > S+ 0 0 49 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.810 96.5 69.1 -52.6 -39.0 63.2 35.8 67.6 434 87 B Y G 3 S+ 0 0 6 1,-0.3 -1,-0.3 -177,-0.0 -172,-0.1 0.819 110.9 33.8 -54.5 -31.8 63.4 38.3 70.5 435 88 B Q G < S+ 0 0 0 -3,-1.6 -39,-2.2 2,-0.1 -1,-0.3 0.268 88.8 123.2-108.1 13.8 61.9 41.0 68.3 436 89 B L < - 0 0 22 -3,-1.7 -177,-0.2 -4,-0.3 -5,-0.1 -0.560 64.4-121.5 -76.7 128.1 59.5 38.8 66.2 437 90 B P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 -41,-0.1 -0.318 31.9-107.0 -63.3 158.8 55.9 39.9 66.3 438 91 B N T 3 S+ 0 0 62 -37,-0.4 -36,-0.1 1,-0.3 -2,-0.1 0.726 118.1 59.4 -61.8 -23.5 53.7 37.1 67.5 439 92 B W T 3 S+ 0 0 29 1,-0.2 2,-2.7 11,-0.1 -1,-0.3 0.719 79.1 94.3 -75.2 -23.6 52.3 36.3 64.1 440 93 B A < + 0 0 11 -3,-1.5 2,-0.3 10,-0.1 -1,-0.2 -0.402 64.8 124.7 -70.5 74.1 55.7 35.6 62.8 441 94 B S S > S- 0 0 43 -2,-2.7 3,-0.9 3,-0.1 6,-0.1 -0.954 71.9-129.6-137.3 153.9 55.5 31.9 63.3 442 95 B D T 3 S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.572 112.6 56.1 -72.1 -12.5 55.8 28.6 61.4 443 96 B S T 3 S+ 0 0 110 -4,-0.0 2,-0.9 1,-0.0 -1,-0.2 0.538 81.7 100.1 -96.0 -9.6 52.4 27.7 62.9 444 97 B N X - 0 0 36 -3,-0.9 3,-1.6 -5,-0.2 -3,-0.1 -0.695 50.7-170.0 -84.3 106.5 50.5 30.8 61.6 445 98 B A T 3 S+ 0 0 106 -2,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.663 87.4 58.2 -67.5 -14.0 48.6 29.9 58.4 446 99 B N T >> S+ 0 0 84 1,-0.2 4,-2.6 2,-0.1 3,-0.7 0.184 70.5 122.8-100.4 19.6 47.9 33.6 57.8 447 100 B F H <> S+ 0 0 1 -3,-1.6 4,-3.0 1,-0.2 5,-0.2 0.861 70.2 48.0 -47.3 -54.3 51.6 34.4 57.7 448 101 B R H 3> S+ 0 0 137 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.808 114.8 47.8 -60.5 -32.6 51.7 36.0 54.2 449 102 B Q H <> S+ 0 0 121 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.906 113.7 45.5 -75.6 -40.0 48.7 38.1 55.1 450 103 B D H X S+ 0 0 31 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.874 111.9 53.7 -70.5 -34.3 50.1 39.3 58.5 451 104 B F H X S+ 0 0 2 -4,-3.0 4,-1.9 -5,-0.3 5,-0.2 0.983 110.3 46.3 -62.0 -53.5 53.5 39.9 56.8 452 105 B A H X S+ 0 0 10 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.921 111.0 52.5 -57.5 -44.3 51.8 42.2 54.2 453 106 B R H X S+ 0 0 107 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.910 106.1 55.6 -59.5 -41.0 49.7 44.0 57.0 454 107 B H H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.953 113.8 37.7 -56.1 -57.7 52.9 44.7 58.9 455 108 B I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.4 0.894 116.5 51.3 -59.6 -49.7 54.7 46.5 56.0 456 109 B D H X S+ 0 0 58 -4,-2.7 4,-1.6 -5,-0.2 5,-0.2 0.956 116.2 42.4 -54.1 -51.2 51.6 48.2 54.7 457 110 B T H X S+ 0 0 44 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.906 117.4 38.6 -67.7 -52.0 50.8 49.6 58.1 458 111 B V H X S+ 0 0 2 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.884 116.9 50.5 -74.2 -30.4 54.1 50.8 59.6 459 112 B A H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.870 116.6 41.7 -70.7 -37.9 55.4 52.2 56.3 460 113 B A H >< S+ 0 0 47 -4,-1.6 3,-1.6 -5,-0.4 4,-0.2 0.911 109.1 59.9 -72.8 -42.0 52.3 54.1 55.7 461 114 B H H 3< S+ 0 0 70 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.902 117.2 30.9 -53.9 -45.6 52.1 55.1 59.4 462 115 B F T >X S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-1.4 0.301 85.2 135.1 -95.4 8.8 55.5 56.9 59.2 463 116 B A T <4 S+ 0 0 27 -3,-1.6 57,-0.2 1,-0.3 -1,-0.2 0.639 78.0 21.2 -29.0 -54.1 55.1 57.9 55.5 464 117 B G T 34 S+ 0 0 73 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.493 119.2 61.8-104.7 7.5 56.3 61.5 55.6 465 118 B Q T <4 S+ 0 0 106 -3,-2.1 2,-0.5 1,-0.1 -42,-0.2 0.637 90.8 67.3-106.5 -14.2 58.3 61.4 58.8 466 119 B V < - 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