==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-JAN-12 3VNM . COMPND 2 MOLECULE: XYLOSE ISOMERASE DOMAIN PROTEIN TIM BARREL; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR H.C.CHAN,Y.ZHU,Y.HU,T.P.KO,C.H.HUANG,F.REN,C.C.CHEN,R.T.GUO, . 1157 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 820 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 64 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 434 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.2 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 1 7 4 0 3 9 0 2 2 0 0 0 0 4 2 4 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 10 16 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 M 0 0 52 0, 0.0 2,-0.4 0, 0.0 239,-0.2 0.000 360.0 360.0 360.0 154.8 -18.9 -31.4 3.7 2 2 A K E -a 240 0A 117 237,-1.4 239,-2.8 236,-0.2 2,-0.4 -0.923 360.0-152.6-108.4 133.5 -15.3 -32.6 3.3 3 3 A H E +a 241 0A 2 -2,-0.4 28,-2.7 237,-0.2 29,-2.4 -0.907 20.4 162.2-113.3 134.6 -12.6 -30.0 2.9 4 4 A G E -ab 242 32A 1 237,-2.5 239,-2.3 -2,-0.4 2,-0.3 -0.765 24.9-139.1-134.2 179.6 -9.2 -30.4 1.2 5 5 A I E -ab 243 33A 0 27,-1.2 29,-2.5 -2,-0.2 2,-0.4 -0.987 26.4-113.8-141.9 146.7 -6.4 -28.4 -0.3 6 6 A Y E > - b 0 34A 14 237,-2.0 3,-1.8 -2,-0.3 29,-0.2 -0.686 22.4-135.8 -80.6 131.2 -4.4 -29.0 -3.5 7 7 A Y G > S+ 0 0 0 27,-2.2 3,-2.7 -2,-0.4 4,-0.3 0.812 96.8 76.6 -57.4 -35.3 -0.7 -29.9 -2.7 8 8 A A G 3 + 0 0 2 1,-0.3 3,-0.5 26,-0.3 -1,-0.3 0.574 69.4 85.1 -57.6 -7.2 0.5 -27.5 -5.4 9 9 A Y G < S+ 0 0 5 -3,-1.8 238,-0.3 1,-0.2 -1,-0.3 0.846 103.6 33.1 -61.7 -25.2 -0.2 -24.6 -3.0 10 10 A W S < S+ 0 0 10 -3,-2.7 2,-0.3 -4,-0.2 -1,-0.2 0.425 117.4 60.9-109.7 1.4 3.3 -25.5 -1.7 11 11 A E - 0 0 62 -3,-0.5 237,-0.1 -4,-0.3 5,-0.1 -0.924 58.3-148.9-137.1 156.7 5.0 -26.7 -4.8 12 12 A Q S S+ 0 0 40 -2,-0.3 241,-2.4 241,-0.1 240,-0.4 0.380 78.1 60.4-105.9 3.7 6.0 -25.5 -8.3 13 13 A E S S- 0 0 82 2,-0.3 2,-1.5 239,-0.2 -2,-0.1 -0.906 89.6-106.7-128.4 158.4 5.8 -28.6 -10.3 14 14 A W S S+ 0 0 40 -2,-0.3 2,-0.3 21,-0.0 24,-0.1 -0.204 100.7 45.6 -78.1 45.5 3.0 -30.9 -11.1 15 15 A E + 0 0 115 -2,-1.5 -2,-0.3 23,-0.1 2,-0.3 -0.921 60.1 151.1-172.5 157.2 4.3 -33.7 -8.8 16 16 A A - 0 0 24 -2,-0.3 2,-1.5 20,-0.2 3,-0.1 -0.969 59.8 -60.5-171.7-175.7 5.8 -33.9 -5.3 17 17 A D >> - 0 0 85 -2,-0.3 4,-1.4 1,-0.2 3,-0.7 -0.685 49.8-173.0 -83.9 90.0 6.2 -36.1 -2.3 18 18 A Y H 3> S+ 0 0 1 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.785 78.6 62.3 -57.1 -30.4 2.5 -36.6 -1.6 19 19 A K H 3> S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 100.5 52.7 -62.5 -44.8 3.2 -38.5 1.7 20 20 A Y H <> S+ 0 0 97 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.931 113.0 45.4 -54.5 -45.8 4.9 -35.3 3.1 21 21 A Y H X S+ 0 0 8 -4,-1.4 4,-2.9 1,-0.2 5,-0.3 0.864 107.3 57.0 -70.7 -29.2 1.8 -33.3 2.2 22 22 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.932 109.8 45.4 -66.2 -43.3 -0.6 -36.0 3.6 23 23 A E H X S+ 0 0 105 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.936 114.1 51.2 -65.6 -40.1 1.1 -35.7 7.0 24 24 A K H X S+ 0 0 23 -4,-2.1 4,-1.6 -5,-0.2 3,-0.3 0.978 111.7 42.7 -62.1 -53.5 1.0 -31.9 6.7 25 25 A V H X>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.3 4,-0.7 0.811 109.3 59.0 -66.6 -28.8 -2.6 -31.4 5.9 26 26 A A H ><5S+ 0 0 14 -4,-1.7 3,-0.8 -5,-0.3 -1,-0.3 0.915 107.3 45.9 -65.6 -42.0 -3.7 -34.0 8.4 27 27 A K H 3<5S+ 0 0 160 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.810 109.5 55.3 -70.7 -25.9 -2.1 -32.0 11.2 28 28 A L H 3<5S- 0 0 18 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.634 121.2-111.2 -80.3 -11.3 -3.6 -28.8 9.8 29 29 A G T <<5 + 0 0 33 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.559 64.0 147.5 97.9 7.4 -7.0 -30.5 10.1 30 30 A F < - 0 0 7 -5,-2.2 -1,-0.3 1,-0.1 -26,-0.2 -0.400 41.3-150.7 -71.5 155.2 -8.0 -31.0 6.5 31 31 A D S S+ 0 0 36 -28,-2.7 30,-2.4 1,-0.2 2,-0.3 0.758 78.7 40.3 -92.7 -34.5 -10.1 -34.1 5.4 32 32 A I E -bc 4 61A 5 -29,-2.4 -27,-1.2 28,-0.2 2,-0.5 -0.897 53.6-164.3-123.3 146.1 -8.7 -34.2 1.9 33 33 A L E -bc 5 62A 0 28,-2.1 30,-1.9 -2,-0.3 2,-0.5 -0.997 20.2-152.8-118.0 129.9 -5.4 -33.8 0.1 34 34 A E E -bc 6 63A 0 -29,-2.5 -27,-2.2 -2,-0.5 2,-0.3 -0.899 16.9-168.0-104.1 132.8 -5.8 -33.3 -3.7 35 35 A I E - c 0 64A 0 28,-3.0 30,-2.5 -2,-0.5 2,-0.3 -0.816 24.9-103.6-121.0 158.5 -2.9 -34.5 -5.8 36 36 A A E - c 0 65A 4 -2,-0.3 4,-0.2 28,-0.2 30,-0.2 -0.624 20.6-146.3 -81.7 139.2 -1.7 -34.1 -9.4 37 37 A A S > S+ 0 0 0 28,-2.0 3,-1.8 -2,-0.3 -1,-0.1 0.756 76.5 93.3 -74.1 -30.2 -2.2 -37.2 -11.6 38 38 A S T 3 S+ 0 0 50 27,-0.3 -1,-0.2 1,-0.3 -23,-0.1 0.739 87.5 39.2 -40.7 -41.3 0.8 -36.6 -13.7 39 39 A P T > S+ 0 0 10 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 0.713 93.6 87.6 -90.1 -8.3 3.4 -38.7 -11.8 40 40 A L G X S+ 0 0 2 -3,-1.8 3,-2.4 1,-0.3 -2,-0.2 0.841 76.2 64.1 -54.3 -39.6 0.9 -41.6 -11.0 41 41 A P G 3 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.645 104.4 51.2 -60.1 -12.4 1.6 -43.6 -14.2 42 42 A F G < S+ 0 0 169 -3,-2.1 2,-0.5 -4,-0.1 -2,-0.2 0.105 83.6 109.6-112.2 18.9 5.1 -44.0 -13.0 43 43 A Y < - 0 0 41 -3,-2.4 2,-0.1 4,-0.0 -3,-0.0 -0.849 63.6-137.6 -96.6 129.6 4.2 -45.3 -9.6 44 44 A S > - 0 0 51 -2,-0.5 4,-3.1 1,-0.1 5,-0.2 -0.351 32.1 -97.4 -77.5 166.7 5.0 -49.0 -9.0 45 45 A D H > S+ 0 0 89 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.871 126.5 46.7 -55.6 -39.4 2.5 -51.2 -7.2 46 46 A I H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.859 109.9 52.7 -75.1 -30.1 4.3 -50.8 -3.9 47 47 A Q H > S+ 0 0 96 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.937 111.3 48.9 -66.2 -41.7 4.6 -47.0 -4.3 48 48 A I H X S+ 0 0 3 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.959 112.4 47.5 -59.6 -48.9 0.9 -46.9 -4.9 49 49 A N H X S+ 0 0 82 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.841 109.8 52.4 -63.2 -34.1 0.2 -49.0 -1.9 50 50 A E H X S+ 0 0 101 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 109.6 48.6 -68.1 -39.3 2.5 -47.0 0.3 51 51 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.947 112.3 49.8 -66.1 -43.3 0.7 -43.7 -0.7 52 52 A K H X S+ 0 0 75 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.910 111.4 48.0 -59.4 -44.2 -2.7 -45.3 -0.0 53 53 A A H X S+ 0 0 62 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.881 109.3 53.8 -67.0 -36.7 -1.6 -46.6 3.4 54 54 A C H X S+ 0 0 19 -4,-2.2 4,-1.5 2,-0.2 6,-0.2 0.976 110.8 46.0 -63.0 -50.9 -0.2 -43.2 4.2 55 55 A A H <>S+ 0 0 8 -4,-2.8 5,-2.6 1,-0.2 3,-0.4 0.948 116.2 45.5 -55.4 -47.7 -3.5 -41.5 3.4 56 56 A H H ><5S+ 0 0 150 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.929 110.0 52.3 -64.6 -46.6 -5.5 -44.1 5.4 57 57 A G H 3<5S+ 0 0 64 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.773 112.5 48.1 -61.3 -23.0 -3.2 -44.1 8.4 58 58 A N T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.300 112.2-113.2-102.9 9.9 -3.6 -40.3 8.5 59 59 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.730 72.8 138.4 68.1 22.7 -7.4 -40.0 8.2 60 60 A I < - 0 0 9 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.857 44.8-151.5-108.2 136.8 -6.9 -38.4 4.8 61 61 A T E -c 32 0A 84 -30,-2.4 -28,-2.1 -2,-0.4 2,-0.4 -0.834 18.9-138.2-100.2 137.7 -8.9 -39.0 1.7 62 62 A L E -c 33 0A 9 -2,-0.4 40,-0.5 38,-0.2 2,-0.3 -0.840 21.0-179.2-102.1 133.8 -7.1 -38.4 -1.6 63 63 A T E -c 34 0A 7 -30,-1.9 -28,-3.0 -2,-0.4 2,-0.4 -0.843 17.2-135.0-121.2 163.8 -8.6 -36.7 -4.7 64 64 A V E -cd 35 104A 0 39,-1.7 41,-2.3 -2,-0.3 2,-0.3 -0.961 14.6-171.2-130.6 136.4 -7.0 -36.1 -8.0 65 65 A G E -cd 36 105A 4 -30,-2.5 -28,-2.0 -2,-0.4 2,-0.3 -0.876 10.0-170.3-117.9 152.3 -6.7 -33.2 -10.5 66 66 A H E - d 0 106A 20 39,-2.0 41,-0.6 -2,-0.3 -30,-0.0 -0.967 22.9-162.1-149.1 134.6 -5.3 -33.3 -14.0 67 67 A G - 0 0 30 -2,-0.3 41,-0.1 39,-0.1 39,-0.1 -0.921 37.6-135.2-105.4 101.4 -4.3 -30.8 -16.7 68 68 A P - 0 0 0 0, 0.0 44,-3.5 0, 0.0 2,-0.1 -0.303 9.9-129.5 -63.5 141.7 -4.2 -33.0 -19.8 69 69 A S > - 0 0 40 42,-0.2 3,-1.6 1,-0.1 45,-0.0 -0.287 32.6-100.8 -76.8 172.6 -1.3 -32.7 -22.2 70 70 A A G > S+ 0 0 42 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.789 125.0 59.0 -68.7 -23.8 -2.0 -32.3 -26.0 71 71 A E G 3 S+ 0 0 124 1,-0.2 -1,-0.3 13,-0.1 14,-0.1 0.532 103.8 51.3 -80.8 -7.0 -1.2 -35.9 -26.4 72 72 A Q G < S+ 0 0 35 -3,-1.6 2,-1.2 12,-0.1 -1,-0.2 0.130 77.6 135.2-113.4 20.2 -4.0 -36.9 -23.9 73 73 A N X - 0 0 14 -3,-0.9 3,-2.6 1,-0.2 38,-0.2 -0.550 35.3-171.7 -81.7 94.3 -6.7 -34.8 -25.6 74 74 A L T 3 S+ 0 0 0 -2,-1.2 58,-0.3 36,-0.6 -1,-0.2 0.601 86.7 55.4 -55.9 -17.1 -9.9 -36.8 -25.9 75 75 A S T 3 S+ 0 0 0 57,-0.1 -1,-0.3 56,-0.1 54,-0.2 0.476 80.7 129.9 -96.5 -3.6 -11.5 -34.1 -28.1 76 76 A S < - 0 0 6 -3,-2.6 6,-0.1 1,-0.1 -5,-0.0 -0.058 58.2-142.9 -51.5 147.0 -8.6 -34.3 -30.6 77 77 A P S S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.769 83.1 91.5 -83.2 -22.8 -9.5 -34.6 -34.3 78 78 A D S > S- 0 0 65 1,-0.2 4,-2.0 2,-0.1 3,-0.4 -0.596 71.0-153.6 -70.8 111.6 -6.5 -36.9 -34.7 79 79 A P H > S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.795 92.3 57.1 -58.4 -30.0 -7.9 -40.4 -34.1 80 80 A D H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.921 105.8 50.0 -66.5 -43.2 -4.5 -41.7 -32.9 81 81 A I H > S+ 0 0 43 -3,-0.4 4,-3.3 1,-0.2 5,-0.2 0.944 110.0 49.9 -59.2 -49.2 -4.4 -39.0 -30.2 82 82 A R H X S+ 0 0 55 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.884 111.3 49.9 -57.2 -40.4 -7.9 -39.9 -29.0 83 83 A K H X S+ 0 0 112 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.936 112.3 46.1 -64.8 -46.8 -6.8 -43.6 -28.9 84 84 A N H X S+ 0 0 100 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.921 113.0 51.8 -61.2 -42.3 -3.7 -42.8 -26.9 85 85 A A H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.903 107.9 50.0 -60.2 -46.2 -5.8 -40.5 -24.6 86 86 A K H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.934 113.2 47.3 -61.0 -42.2 -8.3 -43.3 -24.0 87 87 A A H X S+ 0 0 45 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.839 110.4 52.4 -67.0 -34.6 -5.5 -45.6 -23.2 88 88 A F H X S+ 0 0 36 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 114.2 42.3 -66.6 -48.1 -3.8 -43.1 -20.9 89 89 A Y H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.910 110.8 55.9 -64.6 -41.2 -7.0 -42.5 -19.0 90 90 A T H X S+ 0 0 37 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.940 112.3 42.2 -57.5 -47.4 -7.8 -46.2 -18.8 91 91 A D H X S+ 0 0 66 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.929 114.8 51.5 -64.1 -44.1 -4.5 -47.0 -17.2 92 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.915 108.4 50.6 -59.6 -46.5 -4.7 -44.0 -14.9 93 93 A L H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.3 -1,-0.2 0.893 108.2 52.1 -61.8 -38.4 -8.2 -44.9 -13.7 94 94 A K H X S+ 0 0 114 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.3 0.872 109.1 51.4 -66.9 -31.3 -7.0 -48.4 -12.9 95 95 A R H X S+ 0 0 44 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.903 107.4 52.1 -69.8 -39.0 -4.2 -46.8 -10.9 96 96 A L H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-1.0 0.883 105.7 56.4 -61.8 -38.1 -6.7 -44.7 -9.0 97 97 A Y H ><5S+ 0 0 149 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.956 107.0 47.2 -60.2 -47.3 -8.6 -47.9 -8.3 98 98 A K H 3<5S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.4 53.6 -62.5 -26.2 -5.4 -49.3 -6.7 99 99 A L H 3<5S- 0 0 5 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.615 110.1-121.6 -82.7 -11.7 -5.0 -46.0 -4.8 100 100 A D T <<5 + 0 0 91 -3,-1.1 2,-0.4 -4,-1.0 -38,-0.2 0.838 64.5 146.4 70.4 32.7 -8.6 -46.2 -3.3 101 101 A V < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.858 27.8-179.4-100.6 135.8 -9.2 -42.8 -5.0 102 102 A H + 0 0 89 -40,-0.5 44,-2.8 -2,-0.4 2,-0.3 0.118 58.4 59.2-125.4 18.4 -12.8 -42.2 -6.3 103 103 A L E + e 0 146A 16 42,-0.2 -39,-1.7 -41,-0.2 2,-0.4 -0.941 46.8 172.5-153.3 128.2 -12.6 -38.8 -7.8 104 104 A I E +de 64 147A 0 42,-2.2 44,-3.0 -2,-0.3 2,-0.3 -0.978 17.5 175.5-130.3 144.9 -10.6 -37.2 -10.6 105 105 A G E +de 65 148A 0 -41,-2.3 -39,-2.0 -2,-0.4 2,-0.3 -0.949 21.6 74.8-148.3 169.3 -11.2 -33.7 -12.0 106 106 A G E S-de 66 149A 4 42,-0.9 44,-2.4 -2,-0.3 2,-2.2 -0.863 94.8 -21.1 127.9-158.5 -10.2 -30.9 -14.3 107 107 A A S > S+ 0 0 3 -41,-0.6 3,-1.9 -2,-0.3 42,-0.1 -0.273 75.3 148.1 -81.3 53.5 -10.3 -30.3 -18.0 108 108 A L T 3 + 0 0 0 -2,-2.2 -34,-0.3 40,-0.4 -1,-0.2 0.625 64.0 60.3 -66.5 -13.1 -10.7 -34.0 -18.6 109 109 A Y T 3 S+ 0 0 0 -3,-0.3 -1,-0.3 41,-0.1 2,-0.1 0.310 124.4 3.3 -94.1 5.1 -12.8 -33.3 -21.8 110 110 A S S < S- 0 0 0 -3,-1.9 -36,-0.6 -36,-0.1 2,-0.3 -0.397 91.0 -87.2-153.8-135.3 -10.0 -31.4 -23.4 111 111 A Y - 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0 0 11 -3,-0.9 -1,-0.2 4,-0.1 2,-0.1 -0.172 19.5-153.9 -51.2 131.4 -29.1 -9.6 -30.2 1138 268 D D > - 0 0 92 -4,-0.1 4,-2.4 1,-0.0 5,-0.3 -0.416 42.0 -84.4 -94.0 176.0 -29.5 -7.8 -33.6 1139 269 D E H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 129.7 49.4 -54.0 -37.3 -28.1 -4.3 -34.1 1140 270 D K H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 109.8 50.9 -67.3 -45.8 -31.1 -2.6 -32.6 1141 271 D M H > S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.939 110.4 49.2 -57.9 -48.4 -31.1 -4.7 -29.5 1142 272 D L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.909 109.2 54.3 -58.7 -40.6 -27.4 -4.0 -29.0 1143 273 D D H X S+ 0 0 20 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.944 110.5 45.5 -57.0 -49.9 -28.2 -0.3 -29.4 1144 274 D R H X S+ 0 0 130 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.941 112.2 49.6 -60.6 -51.2 -30.8 -0.5 -26.7 1145 275 D E H X S+ 0 0 78 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.909 111.7 48.5 -58.6 -41.7 -28.7 -2.4 -24.2 1146 276 D A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.904 111.4 51.9 -64.8 -38.4 -25.8 -0.1 -24.6 1147 277 D Q H X S+ 0 0 76 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.906 109.5 47.5 -64.5 -43.7 -28.1 2.8 -24.2 1148 278 D A H X S+ 0 0 29 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.919 111.5 52.9 -61.7 -40.7 -29.6 1.4 -20.9 1149 279 D A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.845 106.7 52.8 -62.4 -37.8 -26.0 0.7 -19.8 1150 280 D L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.946 110.6 45.4 -63.4 -51.2 -25.1 4.3 -20.4 1151 281 D D H X S+ 0 0 80 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 113.1 52.0 -57.2 -48.6 -28.0 5.6 -18.3 1152 282 D F H X S+ 0 0 10 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.948 111.3 47.9 -51.9 -51.5 -27.1 3.1 -15.6 1153 283 D S H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.888 110.9 46.4 -61.8 -46.8 -23.5 4.3 -15.6 1154 284 D R H X S+ 0 0 54 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.894 117.6 47.8 -63.6 -36.7 -24.1 8.1 -15.5 1155 285 D Y H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.983 120.7 31.8 -66.5 -58.5 -26.6 7.5 -12.7 1156 286 D V H < S+ 0 0 1 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.817 122.0 44.7 -72.4 -36.0 -24.6 5.1 -10.5 1157 287 D L H < S+ 0 0 4 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.717 87.4 103.8 -86.2 -19.5 -21.1 6.4 -11.1 1158 288 D E S < S- 0 0 68 -4,-1.1 -55,-0.1 -5,-0.4 -59,-0.0 -0.223 87.7 -39.9 -69.4 152.8 -21.6 10.1 -10.9 1159 289 D C 0 0 103 1,-0.1 -56,-0.2 -57,-0.1 -57,-0.1 0.094 360.0 360.0 31.7-133.9 -20.6 12.2 -7.8 1160 290 D H 0 0 72 -57,-0.1 -1,-0.1 -56,-0.0 -60,-0.1 -0.167 360.0 360.0 116.2 360.0 -21.3 10.7 -4.4