==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUN-01 1JEZ . COMPND 2 MOLECULE: XYLOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA TENUIS; . AUTHOR K.L.KAVANAGH,M.KLIMACEK,B.NIDETZKY,D.K.WILSON . 599 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 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 . 1 0.2 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 . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 0 0 2 2 6 0 0 5 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 2 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 . 4 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 4 A S 0 0 119 0, 0.0 266,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.0 51.3 18.4 47.5 2 5 A I - 0 0 28 37,-0.1 263,-0.1 263,-0.0 14,-0.0 -0.795 360.0-135.5 -91.1 109.9 53.6 20.8 45.6 3 6 A P - 0 0 67 0, 0.0 12,-2.6 0, 0.0 2,-0.3 -0.288 16.4-135.8 -62.4 143.8 56.8 19.0 44.4 4 7 A D E -A 14 0A 93 10,-0.2 2,-0.5 11,-0.1 8,-0.0 -0.805 5.9-149.1-105.2 148.7 60.0 20.9 44.9 5 8 A I E -A 13 0A 35 8,-2.7 8,-2.3 -2,-0.3 2,-0.7 -0.948 17.4-134.0-111.2 129.2 62.8 21.2 42.4 6 9 A K E -A 12 0A 148 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.769 22.5-143.7 -88.9 120.1 66.3 21.5 43.8 7 10 A L > - 0 0 4 4,-2.8 3,-2.4 -2,-0.7 202,-0.1 -0.312 26.3-105.9 -75.5 161.7 68.2 24.2 42.0 8 11 A S T 3 S+ 0 0 70 200,-0.3 -1,-0.1 1,-0.3 175,-0.1 0.652 120.3 66.8 -62.2 -15.0 72.0 24.0 41.2 9 12 A S T 3 S- 0 0 43 2,-0.2 -1,-0.3 173,-0.1 3,-0.1 0.587 117.9-113.7 -80.6 -11.6 72.4 26.5 44.0 10 13 A G S < S+ 0 0 41 -3,-2.4 2,-0.3 1,-0.4 -2,-0.1 0.282 79.0 121.7 95.9 -9.0 71.3 23.8 46.4 11 14 A H - 0 0 75 150,-0.1 -4,-2.8 95,-0.1 -1,-0.4 -0.644 62.8-122.0 -88.3 145.2 68.1 25.6 47.4 12 15 A L E -A 6 0A 99 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.0 -0.633 25.6-165.7 -84.5 144.0 64.7 24.0 46.8 13 16 A M E -A 5 0A 1 -8,-2.3 -8,-2.7 -2,-0.3 29,-0.0 -0.995 26.3-110.3-134.2 127.6 62.1 25.8 44.7 14 17 A P E -A 4 0A 11 0, 0.0 -10,-0.2 0, 0.0 3,-0.0 -0.280 18.7-141.3 -56.0 133.0 58.4 25.1 44.4 15 18 A S S S+ 0 0 12 -12,-2.6 235,-2.7 1,-0.1 2,-0.4 0.535 89.7 48.0 -73.9 -6.5 57.5 23.6 41.1 16 19 A I B S+b 250 0B 0 -13,-0.2 26,-0.5 233,-0.2 25,-0.4 -0.976 73.3 173.9-139.4 122.0 54.2 25.6 41.1 17 20 A G E -c 42 0B 1 233,-2.8 2,-0.6 -2,-0.4 26,-0.2 -0.717 33.9-106.2-125.6 175.6 54.0 29.3 41.8 18 21 A F E -c 43 0B 5 24,-2.8 26,-1.7 -2,-0.2 2,-0.3 -0.906 34.1-134.1-105.6 116.4 51.7 32.3 41.9 19 22 A G E -c 44 0B 18 -2,-0.6 26,-0.1 233,-0.5 24,-0.0 -0.488 18.9-174.2 -71.8 130.5 52.2 34.8 39.1 20 23 A C > + 0 0 0 24,-2.3 3,-2.1 -2,-0.3 -1,-0.1 0.499 45.1 124.5-100.2 -6.4 52.2 38.4 40.2 21 24 A W T 3 S+ 0 0 156 23,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.315 86.0 2.7 -54.6 128.8 52.4 39.7 36.6 22 25 A K T 3 S+ 0 0 161 1,-0.2 2,-0.6 27,-0.1 -1,-0.3 0.691 86.5 154.8 64.3 21.6 49.4 42.0 36.0 23 26 A L < - 0 0 18 -3,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.729 51.0-115.0 -81.8 117.3 48.2 41.8 39.7 24 27 A A >> - 0 0 56 -2,-0.6 4,-2.4 1,-0.1 3,-1.6 -0.302 16.6-129.7 -56.3 126.7 46.3 45.1 40.3 25 28 A N H 3> S+ 0 0 81 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.829 104.1 59.5 -46.8 -38.7 48.1 47.3 42.9 26 29 A A H 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.794 121.6 20.9 -65.1 -29.4 44.8 47.7 44.8 27 30 A T H <> S+ 0 0 65 -3,-1.6 4,-3.0 2,-0.1 5,-0.3 0.529 92.4 98.9-116.8 -9.9 44.2 44.0 45.5 28 31 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.846 84.6 54.4 -46.0 -42.0 47.7 42.4 45.0 29 32 A G H X S+ 0 0 15 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.967 112.5 41.2 -57.9 -56.3 48.2 42.4 48.8 30 33 A E H > S+ 0 0 91 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.920 114.3 52.5 -56.6 -49.8 44.9 40.5 49.4 31 34 A Q H X S+ 0 0 59 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.877 111.5 45.8 -58.4 -40.4 45.5 38.2 46.5 32 35 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.923 113.2 50.4 -68.5 -43.4 49.0 37.2 47.7 33 36 A Y H X S+ 0 0 10 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.952 113.5 44.7 -57.5 -51.9 47.8 36.8 51.2 34 37 A Q H X S+ 0 0 73 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.864 109.4 56.9 -62.1 -37.4 44.9 34.5 50.1 35 38 A A H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.3 -1,-0.2 0.905 106.0 50.2 -60.8 -41.0 47.2 32.6 47.8 36 39 A I H ><5S+ 0 0 3 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.869 111.2 48.7 -65.2 -36.2 49.4 31.8 50.8 37 40 A K H 3<5S+ 0 0 121 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.895 105.7 57.3 -69.8 -37.9 46.4 30.6 52.6 38 41 A A T 3<5S- 0 0 22 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.434 131.2 -98.1 -72.0 4.2 45.4 28.6 49.6 39 42 A G T < 5S+ 0 0 18 -3,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.492 73.3 147.1 96.1 2.2 48.8 26.9 50.0 40 43 A Y < + 0 0 0 -5,-3.1 -1,-0.3 -6,-0.2 -23,-0.1 -0.501 14.7 170.4 -72.1 142.6 50.9 28.8 47.5 41 44 A R + 0 0 71 -25,-0.4 33,-2.4 1,-0.2 2,-0.4 0.644 55.9 66.1-122.5 -31.7 54.6 29.3 48.6 42 45 A L E -cd 17 74B 5 -26,-0.5 -24,-2.8 31,-0.2 2,-0.5 -0.811 59.3-167.9 -97.8 135.1 56.4 30.6 45.5 43 46 A F E -cd 18 75B 2 31,-2.6 33,-2.6 -2,-0.4 2,-0.9 -0.976 9.4-153.1-126.6 118.1 55.6 34.1 44.2 44 47 A D E +cd 19 76B 7 -26,-1.7 -24,-2.3 -2,-0.5 -23,-0.4 -0.796 33.3 154.1 -92.4 103.8 57.0 35.1 40.8 45 48 A G - 0 0 6 31,-2.4 2,-0.3 -2,-0.9 3,-0.1 -0.510 22.3-162.9-118.6-170.1 57.3 38.9 40.7 46 49 A A > - 0 0 0 31,-0.2 3,-0.8 -2,-0.2 5,-0.5 -0.950 34.4-116.6-172.7 151.4 59.4 41.5 39.0 47 50 A E G > S+ 0 0 1 31,-1.5 3,-1.7 -2,-0.3 5,-0.2 0.922 115.3 57.7 -60.1 -42.2 60.4 45.1 39.2 48 51 A D G 3 S+ 0 0 50 30,-0.3 -1,-0.2 1,-0.3 31,-0.0 0.697 89.8 71.7 -63.5 -20.0 58.6 45.7 35.9 49 52 A Y G < S- 0 0 38 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.654 92.0-144.4 -71.2 -14.8 55.3 44.5 37.3 50 53 A G S < S+ 0 0 25 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.638 76.5 86.2 61.1 20.9 55.1 47.7 39.4 51 54 A N > + 0 0 0 -5,-0.5 4,-2.0 2,-0.1 5,-0.2 0.162 39.4 116.5-136.7 19.6 53.5 46.0 42.4 52 55 A E H > S+ 0 0 5 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 0.817 77.1 59.5 -59.8 -32.1 56.3 44.5 44.5 53 56 A K H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.956 109.2 42.6 -61.2 -49.1 55.4 46.8 47.4 54 57 A E H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.827 111.6 54.1 -67.1 -35.0 51.9 45.3 47.5 55 58 A V H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.914 107.3 51.6 -66.1 -39.9 53.2 41.7 47.1 56 59 A G H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.884 105.1 58.4 -61.6 -36.5 55.5 42.4 50.1 57 60 A D H X S+ 0 0 52 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.948 106.4 46.0 -57.3 -52.4 52.3 43.5 52.0 58 61 A G H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.913 114.2 48.0 -57.9 -45.8 50.6 40.2 51.5 59 62 A V H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.939 110.3 52.4 -61.7 -45.5 53.7 38.2 52.5 60 63 A K H X S+ 0 0 97 -4,-3.1 4,-3.5 1,-0.2 5,-0.2 0.876 108.6 49.9 -59.7 -40.1 54.2 40.4 55.6 61 64 A R H X S+ 0 0 97 -4,-2.2 4,-3.1 2,-0.2 6,-0.2 0.951 110.1 50.2 -64.0 -47.9 50.6 39.9 56.8 62 65 A A H X>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 6,-0.7 0.919 116.4 42.8 -55.8 -43.4 50.9 36.1 56.4 63 66 A I H ><5S+ 0 0 53 -4,-2.5 3,-1.3 2,-0.2 -2,-0.2 0.944 112.8 50.1 -70.2 -48.4 54.2 36.2 58.3 64 67 A D H 3<5S+ 0 0 106 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.914 111.7 50.5 -57.2 -41.2 53.0 38.6 61.0 65 68 A E H 3<5S- 0 0 94 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.625 116.4-116.8 -71.3 -13.5 49.9 36.4 61.5 66 69 A G T <<5S+ 0 0 61 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.659 75.8 129.3 87.2 15.6 52.1 33.3 61.8 67 70 A L S - 0 0 149 -2,-0.3 3,-2.7 -3,-0.1 4,-0.5 -0.774 37.4-107.2-105.9 155.5 57.9 32.0 58.2 70 73 A R G > S+ 0 0 31 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.842 119.7 60.8 -48.0 -38.9 60.0 33.9 55.7 71 74 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.510 98.8 56.2 -72.3 -3.3 62.0 30.7 55.1 72 75 A E G < S+ 0 0 110 -3,-2.7 2,-0.4 2,-0.0 -1,-0.3 0.470 97.2 78.2-101.7 -6.1 58.9 28.9 53.9 73 76 A I < - 0 0 4 -3,-1.5 2,-0.6 -4,-0.5 -31,-0.2 -0.848 67.8-152.2-106.2 138.8 58.2 31.5 51.2 74 77 A F E -d 42 0B 11 -33,-2.4 -31,-2.6 -2,-0.4 2,-0.6 -0.949 13.0-165.2-114.1 112.9 60.1 31.6 47.9 75 78 A L E -d 43 0B 3 -2,-0.6 32,-2.2 -33,-0.2 31,-1.5 -0.887 5.0-172.7-105.3 122.3 60.3 35.1 46.4 76 79 A T E +de 44 107B 5 -33,-2.6 -31,-2.4 -2,-0.6 2,-0.3 -0.918 10.7 165.8-110.7 136.7 61.4 35.6 42.8 77 80 A S E - e 0 108B 0 30,-2.8 32,-2.0 -2,-0.4 2,-0.4 -0.880 23.3-133.6-138.2 172.1 62.0 39.0 41.4 78 81 A K E - e 0 109B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.6 -0.996 14.4-122.6-139.4 137.0 63.7 40.1 38.2 79 82 A L E - e 0 110B 0 30,-2.8 32,-1.9 -2,-0.4 33,-0.5 -0.634 37.0-133.1 -74.4 115.9 66.2 42.8 37.3 80 83 A W > - 0 0 5 -2,-0.6 3,-1.9 31,-0.1 12,-0.1 -0.247 22.0-101.3 -72.6 161.6 64.7 45.1 34.7 81 84 A N G > S+ 0 0 0 1,-0.3 35,-1.4 2,-0.1 3,-0.8 0.664 114.9 61.8 -52.9 -30.1 66.5 46.3 31.5 82 85 A N G 3 S+ 0 0 0 1,-0.2 3,-0.3 33,-0.2 -1,-0.3 0.665 99.0 60.1 -75.3 -13.6 67.5 49.7 32.7 83 86 A Y G < + 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 9,-0.1 -0.022 64.5 108.4-108.3 31.0 69.6 48.3 35.5 84 87 A H < + 0 0 0 -3,-0.8 -1,-0.2 32,-0.4 66,-0.1 0.788 50.3 98.0 -75.8 -29.8 72.2 46.1 33.7 85 88 A D S >> S- 0 0 41 -3,-0.3 3,-3.2 1,-0.1 4,-1.2 -0.441 83.8-124.1 -61.4 123.9 75.2 48.4 34.4 86 89 A P H 3> S+ 0 0 43 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.805 108.6 58.2 -38.7 -44.3 77.0 46.9 37.5 87 90 A K H 34 S+ 0 0 159 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.629 112.2 41.6 -67.1 -11.1 76.8 50.1 39.5 88 91 A N H <> S+ 0 0 11 -3,-3.2 4,-2.5 2,-0.1 -1,-0.2 0.590 91.3 82.1-109.2 -18.8 73.0 50.1 39.1 89 92 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 5,-0.1 0.950 97.3 44.1 -52.1 -52.3 72.2 46.4 39.7 90 93 A E H X S+ 0 0 82 -4,-0.8 4,-3.1 1,-0.2 5,-0.2 0.861 108.5 58.8 -63.2 -35.5 72.3 46.8 43.5 91 94 A T H > S+ 0 0 59 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.955 110.4 42.8 -57.0 -47.9 70.3 50.0 43.3 92 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 112.9 52.7 -65.6 -41.8 67.5 48.0 41.6 93 96 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.931 107.7 51.2 -61.2 -43.5 67.9 45.1 44.0 94 97 A N H X S+ 0 0 70 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.891 108.5 51.6 -60.6 -40.2 67.6 47.4 47.0 95 98 A K H X S+ 0 0 60 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.947 112.3 46.9 -61.6 -46.5 64.4 48.9 45.6 96 99 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.922 113.6 47.6 -60.3 -45.9 63.0 45.4 45.1 97 100 A L H X>S+ 0 0 11 -4,-3.0 5,-1.9 1,-0.2 4,-1.8 0.920 112.9 47.9 -64.1 -42.7 64.0 44.3 48.7 98 101 A A H <5S+ 0 0 72 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.815 114.0 46.8 -69.0 -32.2 62.6 47.4 50.3 99 102 A D H <5S+ 0 0 18 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.943 118.3 41.2 -72.0 -48.3 59.3 47.1 48.4 100 103 A L H <5S- 0 0 7 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.723 106.8-136.2 -68.9 -21.1 59.1 43.3 49.2 101 104 A K T <5 + 0 0 83 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.924 60.8 118.5 64.1 48.5 60.3 44.2 52.8 102 105 A V S > - 0 0 59 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.210 23.4-123.7 -54.1 144.2 67.0 56.9 38.3 121 124 A I T 34 S+ 0 0 36 1,-0.3 3,-0.1 2,-0.2 -29,-0.0 0.900 112.6 52.0 -55.9 -45.7 64.3 55.3 40.4 122 125 A E T 34 S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.590 103.9 59.5 -70.0 -10.1 62.9 58.7 41.4 123 126 A E T <4 S- 0 0 99 -3,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.900 129.2 -20.7 -83.4 -45.0 62.7 59.7 37.8 124 127 A K < - 0 0 96 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.834 67.5-141.9-165.2 126.4 60.3 56.9 36.8 125 128 A Y S S+ 0 0 54 1,-0.4 -77,-0.0 -2,-0.3 -4,-0.0 -0.961 91.5 15.9-148.5 126.8 59.5 53.6 38.4 126 129 A P S S- 0 0 39 0, 0.0 -1,-0.4 0, 0.0 -78,-0.1 0.586 83.6-164.7 -75.8 143.6 59.0 51.1 37.0 127 130 A P > + 0 0 1 0, 0.0 3,-2.2 0, 0.0 2,-0.1 0.750 14.7 179.3 -68.3 -25.1 60.5 52.7 33.9 128 131 A G T 3 S- 0 0 15 1,-0.3 -46,-0.1 -4,-0.1 -47,-0.1 -0.395 72.3 -14.9 60.7-128.2 59.2 50.2 31.4 129 132 A F T 3 S+ 0 0 95 -2,-0.1 -1,-0.3 -48,-0.0 2,-0.2 0.432 106.7 118.7 -88.1 0.1 60.4 51.2 27.9 130 133 A Y < + 0 0 56 -3,-2.2 5,-0.1 1,-0.1 7,-0.1 -0.489 36.8 177.9 -68.3 129.3 61.3 54.6 29.1 131 134 A C - 0 0 0 5,-0.6 -1,-0.1 3,-0.4 -14,-0.1 0.003 59.3 -88.6-124.0 30.3 65.0 55.3 28.6 132 135 A G S S+ 0 0 26 2,-0.2 3,-0.1 -5,-0.1 5,-0.1 0.731 108.3 83.0 72.7 25.8 65.3 58.8 29.8 133 136 A D S > S- 0 0 87 1,-0.6 3,-2.2 3,-0.3 -2,-0.0 -0.431 101.1 -85.7-161.3 77.0 64.6 60.5 26.4 134 137 A G T 3 S- 0 0 48 1,-0.3 -1,-0.6 -4,-0.0 -3,-0.4 -0.307 96.6 -30.2 57.0-131.4 61.0 60.9 25.5 135 138 A N T 3 S+ 0 0 159 -5,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.277 107.1 120.3-100.2 11.0 59.7 57.8 23.8 136 139 A N < - 0 0 95 -3,-2.2 -5,-0.6 1,-0.0 2,-0.4 -0.493 63.0-128.6 -78.9 143.2 63.1 56.9 22.4 137 140 A F - 0 0 49 -2,-0.2 2,-0.4 -7,-0.1 -7,-0.1 -0.781 28.6-176.4 -89.0 132.7 64.8 53.6 23.2 138 141 A V - 0 0 43 -2,-0.4 -21,-2.9 -21,-0.1 2,-0.2 -0.998 7.3-156.9-130.9 135.5 68.4 54.2 24.3 139 142 A Y B -J 116 0C 87 -2,-0.4 2,-0.4 -23,-0.3 -23,-0.2 -0.619 8.2-136.8-112.3 169.6 70.8 51.3 25.2 140 143 A E - 0 0 31 -25,-2.3 2,-2.2 -2,-0.2 -25,-0.2 -0.973 23.3-121.9-124.2 141.0 73.9 50.8 27.3 141 144 A D + 0 0 115 -2,-0.4 334,-0.0 338,-0.0 -2,-0.0 -0.455 60.6 139.5 -81.2 71.9 77.0 48.8 26.2 142 145 A V - 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0 0 126 -2,-0.3 3,-2.6 -3,-0.1 4,-0.7 -0.817 35.3-104.9-112.3 156.7 100.4 42.2 -5.5 370 73 B R G >4 S+ 0 0 38 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.872 119.7 56.0 -46.5 -48.3 99.7 41.1 -1.9 371 74 B E G 34 S+ 0 0 134 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.530 101.4 58.0 -67.2 -5.5 97.7 44.3 -1.2 372 75 B E G <4 S+ 0 0 96 -3,-2.6 2,-0.4 2,-0.0 -1,-0.3 0.609 96.0 78.6 -95.7 -15.1 95.4 43.6 -4.2 373 76 B I << - 0 0 2 -3,-1.5 2,-0.6 -4,-0.7 -31,-0.2 -0.794 67.0-155.3 -98.0 134.0 94.4 40.2 -2.7 374 77 B F E -o 342 0F 11 -33,-2.9 -31,-2.3 -2,-0.4 2,-0.5 -0.938 13.7-167.4-110.2 112.3 91.9 39.9 0.2 375 78 B L E -o 343 0F 3 -2,-0.6 32,-1.7 -33,-0.2 31,-1.7 -0.899 3.3-169.5-107.2 123.3 92.4 36.8 2.2 376 79 B T E +op 344 407F 5 -33,-2.4 -31,-1.8 -2,-0.5 2,-0.3 -0.853 10.6 169.0-107.9 141.7 89.8 35.6 4.7 377 80 B S E - p 0 408F 0 30,-2.1 32,-2.2 -2,-0.4 2,-0.4 -0.913 21.6-134.8-141.7 170.1 90.4 32.8 7.2 378 81 B K E - p 0 409F 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.7 -0.992 14.9-123.7-136.1 142.5 88.5 31.6 10.2 379 82 B L E - p 0 410F 0 30,-3.4 32,-1.7 -2,-0.4 33,-0.5 -0.718 34.9-133.9 -82.5 113.6 89.6 30.6 13.7 380 83 B W > - 0 0 4 -2,-0.7 3,-1.6 31,-0.1 12,-0.1 -0.219 22.3-102.6 -68.3 161.8 88.4 27.1 14.4 381 84 B N G > S+ 0 0 0 1,-0.3 35,-1.7 2,-0.1 3,-0.8 0.660 113.5 62.1 -55.7 -30.9 86.6 26.0 17.6 382 85 B N G 3 S+ 0 0 0 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.525 100.3 60.6 -77.1 -3.0 89.6 24.3 19.5 383 86 B Y G < + 0 0 0 -3,-1.6 -1,-0.2 1,-0.1 9,-0.2 0.048 65.1 105.1-114.0 25.1 91.4 27.7 19.4 384 87 B H < + 0 0 0 -3,-0.8 66,-0.1 32,-0.3 -1,-0.1 0.778 49.4 102.9 -76.4 -28.4 89.1 30.1 21.4 385 88 B D S >> S- 0 0 42 -3,-0.2 3,-2.9 1,-0.1 4,-0.7 -0.395 82.3-125.2 -56.9 119.5 91.2 30.1 24.6 386 89 B P H >> S+ 0 0 46 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.786 107.8 56.6 -36.0 -44.1 93.1 33.5 24.3 387 90 B K H 34 S+ 0 0 157 1,-0.2 4,-0.3 2,-0.1 -2,-0.1 0.699 109.8 45.6 -68.3 -18.5 96.5 31.9 24.7 388 91 B N H <> S+ 0 0 13 -3,-2.9 4,-2.1 2,-0.1 -1,-0.2 0.447 91.1 84.1-101.7 -4.2 95.9 29.6 21.7 389 92 B V H S+ 0 0 56 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.953 109.5 41.0 -56.7 -52.2 99.0 30.1 17.8 392 95 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 113.9 52.2 -63.2 -43.8 96.3 29.2 15.3 393 96 B L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.886 107.5 53.9 -60.9 -39.0 96.6 32.5 13.4 394 97 B N H X S+ 0 0 64 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.902 107.1 49.9 -61.5 -43.2 100.3 31.9 13.1 395 98 B K H X S+ 0 0 63 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.906 111.8 49.8 -62.5 -39.2 99.7 28.5 11.6 396 99 B T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 111.8 47.0 -64.7 -44.8 97.2 30.1 9.2 397 100 B L H X>S+ 0 0 14 -4,-2.9 5,-1.9 1,-0.2 4,-1.1 0.890 112.3 50.2 -64.7 -40.8 99.7 32.8 8.2 398 101 B A H <5S+ 0 0 67 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.913 112.3 46.1 -65.4 -43.2 102.5 30.3 7.7 399 102 B D H <5S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 116.7 44.6 -66.7 -39.4 100.4 28.0 5.4 400 103 B L H <5S- 0 0 8 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.661 105.3-134.5 -78.2 -14.0 99.1 31.0 3.5 401 104 B K T <5 + 0 0 81 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.927 63.6 116.9 60.0 48.6 102.7 32.4 3.3 402 105 B V S > - 0 0 58 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.229 21.4-127.5 -53.1 141.8 98.0 20.8 19.7 421 124 B I T 34 S+ 0 0 33 1,-0.3 -29,-0.0 2,-0.2 0, 0.0 0.840 110.2 56.2 -62.9 -30.8 98.6 21.5 16.1 422 125 B E T 34 S+ 0 0 186 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.712 105.9 51.8 -74.3 -18.4 101.3 18.7 16.0 423 126 B E T <4 S- 0 0 106 -3,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.934 130.5 -11.0 -82.2 -48.9 98.7 16.2 17.3 424 127 B K < - 0 0 91 -4,-1.8 -1,-0.3 6,-0.0 -2,-0.1 -0.890 67.2-150.7-156.2 121.8 96.0 16.9 14.8 425 128 B Y S S+ 0 0 49 1,-0.3 -77,-0.0 -2,-0.3 -4,-0.0 -0.961 88.5 19.5-148.0 125.3 95.5 19.6 12.2 426 129 B P S S- 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -78,-0.1 0.643 84.5-161.2 -70.7 152.0 92.9 20.6 11.2 427 130 B P > + 0 0 6 0, 0.0 3,-1.9 0, 0.0 2,-0.2 0.812 16.3 178.7 -74.5 -29.0 91.3 19.1 14.3 428 131 B G T 3 S- 0 0 20 1,-0.3 -46,-0.1 -4,-0.1 -47,-0.1 -0.439 71.6 -20.0 64.3-129.7 87.7 19.1 13.1 429 132 B F T 3 S+ 0 0 96 -2,-0.2 -1,-0.3 -48,-0.0 2,-0.2 0.545 106.8 116.6 -89.0 -6.4 85.5 17.6 15.7 430 133 B Y < + 0 0 70 -3,-1.9 5,-0.1 1,-0.1 7,-0.1 -0.451 37.5 178.5 -64.1 127.4 88.4 15.9 17.5 431 134 B C - 0 0 0 5,-0.6 -1,-0.1 3,-0.4 4,-0.1 0.061 60.0 -89.2-119.3 22.1 88.7 17.4 21.0 432 135 B G S S+ 0 0 31 2,-0.2 3,-0.1 -5,-0.1 5,-0.1 0.682 109.0 86.0 80.9 17.9 91.6 15.3 22.3 433 136 B D S > S- 0 0 83 1,-0.5 3,-2.6 3,-0.4 -1,-0.0 -0.470 97.7 -95.0-150.5 72.3 89.4 12.5 23.7 434 137 B G T 3 S- 0 0 52 1,-0.3 -1,-0.5 -4,-0.0 -3,-0.4 -0.314 95.6 -23.5 56.4-128.5 88.5 9.8 21.1 435 138 B N T 3 S+ 0 0 160 -5,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.278 109.2 116.1 -95.9 6.5 85.1 10.6 19.7 436 139 B N < - 0 0 96 -3,-2.6 -5,-0.6 1,-0.0 2,-0.5 -0.521 64.0-131.6 -80.0 145.1 84.0 12.7 22.6 437 140 B F - 0 0 47 -2,-0.2 2,-0.4 -7,-0.1 -7,-0.1 -0.805 27.3-174.0 -91.4 134.5 83.3 16.4 22.3 438 141 B V - 0 0 42 -2,-0.5 -21,-2.7 -21,-0.1 2,-0.3 -1.000 4.5-159.4-131.8 133.8 85.0 18.4 25.0 439 142 B Y B -U 416 0G 91 -2,-0.4 2,-0.3 -23,-0.3 -23,-0.2 -0.740 9.0-139.2-114.4 161.0 84.5 22.1 25.6 440 143 B E - 0 0 35 -25,-2.1 2,-1.7 -2,-0.3 -25,-0.2 -0.884 24.9-119.6-115.5 148.8 86.4 25.0 27.3 441 144 B D + 0 0 112 -2,-0.3 -266,-0.0 -264,-0.0 -2,-0.0 -0.504 60.7 140.2 -85.9 69.5 84.9 27.7 29.4 442 145 B V - 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