==== 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 16-JAN-12 3VNK . 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, . 1155 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 13.2 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 . 57 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 38.1 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 0 8 4 0 1 11 0 3 1 0 0 0 0 4 0 8 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 9 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 55 0, 0.0 2,-0.4 0, 0.0 239,-0.2 0.000 360.0 360.0 360.0 156.8 -19.0 -31.5 3.5 2 2 A K E -a 240 0A 121 237,-1.3 239,-2.4 236,-0.2 2,-0.4 -0.915 360.0-149.1-107.9 132.3 -15.4 -32.7 3.3 3 3 A H E +a 241 0A 4 -2,-0.4 28,-2.9 237,-0.2 29,-2.1 -0.877 22.5 163.4-109.0 133.5 -12.7 -30.0 2.9 4 4 A G E -ab 242 32A 2 237,-2.6 239,-2.8 -2,-0.4 2,-0.3 -0.788 25.0-140.2-134.6-178.7 -9.4 -30.4 1.1 5 5 A I E -ab 243 33A 0 27,-1.3 29,-2.2 237,-0.3 2,-0.3 -0.993 26.5-115.3-145.1 142.5 -6.5 -28.5 -0.5 6 6 A Y E > - b 0 34A 13 237,-2.2 3,-1.8 -2,-0.3 29,-0.2 -0.641 22.5-134.6 -77.3 133.3 -4.5 -29.1 -3.7 7 7 A Y G > S+ 0 0 0 27,-2.3 3,-2.5 -2,-0.3 4,-0.3 0.791 96.4 79.8 -61.8 -29.5 -0.9 -30.0 -2.9 8 8 A A G > + 0 0 2 1,-0.3 3,-0.5 26,-0.2 -1,-0.3 0.591 68.5 82.9 -58.7 -8.4 0.3 -27.6 -5.6 9 9 A Y G < S+ 0 0 6 -3,-1.8 238,-0.3 1,-0.2 -1,-0.3 0.776 103.7 35.0 -60.8 -24.9 -0.3 -24.7 -3.2 10 10 A W G < S+ 0 0 9 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.2 0.464 116.4 60.8-108.7 -1.6 3.2 -25.7 -2.0 11 11 A E < - 0 0 61 -3,-0.5 237,-0.1 -4,-0.3 5,-0.1 -0.932 57.0-149.7-136.9 154.7 4.9 -26.8 -5.2 12 12 A Q S S+ 0 0 40 -2,-0.3 241,-2.4 241,-0.1 240,-0.5 0.368 80.0 58.3-103.1 4.4 5.9 -25.6 -8.6 13 13 A E S S- 0 0 81 2,-0.3 2,-1.4 239,-0.2 -2,-0.1 -0.903 89.3-107.7-127.8 160.8 5.6 -28.8 -10.6 14 14 A W S S+ 0 0 36 -2,-0.3 2,-0.3 21,-0.0 24,-0.1 -0.199 100.3 47.0 -82.2 46.9 2.7 -31.1 -11.3 15 15 A E + 0 0 121 -2,-1.4 -2,-0.3 23,-0.1 2,-0.3 -0.921 60.3 149.9-171.0 158.4 4.1 -33.9 -9.1 16 16 A A - 0 0 25 -2,-0.3 2,-1.6 20,-0.1 3,-0.1 -0.962 61.0 -60.9-175.8-178.8 5.6 -34.1 -5.6 17 17 A D >> - 0 0 90 -2,-0.3 4,-1.3 1,-0.2 3,-1.1 -0.641 50.6-172.9 -80.4 89.4 6.1 -36.3 -2.6 18 18 A Y H 3> S+ 0 0 1 -2,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.794 77.7 63.5 -59.6 -28.0 2.3 -36.7 -1.8 19 19 A K H 3> S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.883 99.3 53.4 -64.1 -36.7 3.0 -38.6 1.4 20 20 A Y H <> S+ 0 0 94 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.947 112.1 45.7 -60.5 -47.9 4.8 -35.5 2.8 21 21 A Y H X S+ 0 0 10 -4,-1.3 4,-3.0 1,-0.2 5,-0.3 0.835 107.8 56.3 -66.9 -30.0 1.6 -33.4 2.0 22 22 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.935 109.8 46.0 -66.1 -45.2 -0.8 -36.0 3.4 23 23 A E H X S+ 0 0 106 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.934 114.3 49.8 -62.8 -43.6 1.0 -35.8 6.7 24 24 A K H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.977 112.4 43.2 -61.2 -53.9 1.0 -32.0 6.5 25 25 A V H X>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.3 4,-0.8 0.819 109.2 58.5 -68.0 -24.8 -2.7 -31.5 5.8 26 26 A A H ><5S+ 0 0 16 -4,-1.8 3,-0.7 -5,-0.3 -1,-0.3 0.915 107.7 46.4 -67.9 -41.0 -3.8 -34.1 8.3 27 27 A K H 3<5S+ 0 0 162 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.855 110.0 54.3 -67.5 -32.2 -2.0 -32.0 11.0 28 28 A L H 3<5S- 0 0 21 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.601 120.8-108.9 -77.4 -10.2 -3.7 -28.8 9.6 29 29 A G T <<5 + 0 0 32 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.509 65.4 147.4 98.6 4.7 -7.1 -30.5 10.0 30 30 A F < - 0 0 7 -5,-2.1 -1,-0.2 1,-0.1 -26,-0.2 -0.302 41.4-152.1 -70.4 157.3 -8.1 -31.1 6.3 31 31 A D S S+ 0 0 41 -28,-2.9 30,-2.5 1,-0.2 2,-0.3 0.724 78.7 36.6 -96.4 -27.4 -10.2 -34.1 5.3 32 32 A I E -bc 4 61A 5 -29,-2.1 -27,-1.3 28,-0.2 2,-0.5 -0.921 52.9-164.1-131.5 146.4 -8.8 -34.2 1.8 33 33 A L E -bc 5 62A 0 28,-2.0 30,-1.8 -2,-0.3 2,-0.4 -1.000 20.1-151.7-121.8 130.2 -5.6 -33.7 -0.1 34 34 A E E -bc 6 63A 0 -29,-2.2 -27,-2.3 -2,-0.5 2,-0.3 -0.860 16.1-166.4-100.4 137.3 -6.0 -33.4 -3.9 35 35 A I E - c 0 64A 0 28,-2.6 30,-2.6 -2,-0.4 2,-0.2 -0.866 24.1-105.9-121.7 154.9 -3.0 -34.6 -5.9 36 36 A A E - c 0 65A 2 -2,-0.3 4,-0.3 28,-0.2 30,-0.2 -0.582 20.9-141.5 -79.3 143.3 -2.1 -34.1 -9.6 37 37 A A S > S+ 0 0 0 28,-2.1 3,-1.9 -2,-0.2 29,-0.1 0.795 77.9 93.4 -75.4 -27.6 -2.5 -37.2 -11.8 38 38 A S T 3 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.744 88.6 39.3 -36.9 -51.1 0.7 -36.7 -13.9 39 39 A P T > S+ 0 0 13 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.684 94.4 86.0 -79.2 -15.2 3.1 -38.8 -11.9 40 40 A L G X S+ 0 0 2 -3,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.827 78.2 62.2 -58.1 -35.8 0.7 -41.6 -11.2 41 41 A P G 3 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.711 104.4 52.8 -63.8 -13.1 1.2 -43.6 -14.4 42 42 A F G < S+ 0 0 171 -3,-1.8 2,-0.5 -4,-0.1 -2,-0.2 0.147 83.4 110.8-106.5 18.7 4.9 -44.0 -13.2 43 43 A Y < - 0 0 37 -3,-1.9 2,-0.1 4,-0.0 -3,-0.0 -0.803 62.9-138.1 -94.1 131.2 4.0 -45.4 -9.8 44 44 A S > - 0 0 54 -2,-0.5 4,-2.3 1,-0.1 3,-0.2 -0.432 33.0 -99.9 -77.9 166.5 4.9 -49.1 -9.2 45 45 A D H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.861 125.6 50.7 -57.3 -39.5 2.3 -51.2 -7.3 46 46 A I H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 108.7 52.9 -69.7 -32.0 4.1 -50.9 -4.1 47 47 A Q H > S+ 0 0 86 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 109.8 48.1 -67.8 -39.1 4.3 -47.1 -4.5 48 48 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.959 112.3 49.6 -64.9 -46.4 0.6 -47.0 -5.0 49 49 A N H X S+ 0 0 82 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.854 110.0 49.8 -61.5 -35.8 0.0 -49.1 -2.0 50 50 A E H X S+ 0 0 101 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.906 111.3 48.7 -68.3 -42.7 2.3 -47.0 0.2 51 51 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.970 114.2 46.4 -61.5 -51.1 0.5 -43.8 -0.9 52 52 A K H X S+ 0 0 72 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.921 112.9 49.0 -54.6 -46.0 -2.9 -45.4 -0.2 53 53 A A H X S+ 0 0 61 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.872 110.1 53.0 -63.5 -36.5 -1.7 -46.7 3.2 54 54 A C H X S+ 0 0 18 -4,-2.4 4,-1.5 2,-0.2 6,-0.2 0.953 111.0 45.2 -63.6 -50.8 -0.3 -43.2 4.0 55 55 A A H ><>S+ 0 0 6 -4,-2.7 5,-2.3 1,-0.2 3,-0.7 0.977 116.3 46.7 -58.1 -51.8 -3.7 -41.5 3.3 56 56 A H H ><5S+ 0 0 151 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.917 109.8 51.4 -56.9 -48.8 -5.6 -44.2 5.2 57 57 A G H 3<5S+ 0 0 63 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.773 113.5 46.8 -62.4 -24.0 -3.3 -44.1 8.2 58 58 A N T <<5S- 0 0 52 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.311 112.0-117.1 -98.6 4.9 -3.7 -40.4 8.4 59 59 A G T < 5 + 0 0 64 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.2 0.783 69.7 138.3 65.8 29.8 -7.5 -40.3 8.0 60 60 A I < - 0 0 9 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.858 46.1-145.2-111.6 142.6 -7.1 -38.4 4.7 61 61 A T E -c 32 0A 80 -30,-2.5 -28,-2.0 -2,-0.4 2,-0.4 -0.878 16.9-139.0-105.7 135.0 -9.1 -39.0 1.5 62 62 A L E -c 33 0A 8 -2,-0.4 40,-0.5 38,-0.2 2,-0.3 -0.803 20.0-178.7 -96.8 133.2 -7.3 -38.5 -1.8 63 63 A T E -c 34 0A 6 -30,-1.8 -28,-2.6 -2,-0.4 2,-0.4 -0.893 18.4-132.8-121.5 163.0 -8.9 -36.8 -4.8 64 64 A V E -cd 35 104A 0 39,-2.1 41,-1.8 -2,-0.3 2,-0.4 -0.929 15.5-171.7-124.8 136.0 -7.3 -36.2 -8.2 65 65 A G E -cd 36 105A 3 -30,-2.6 -28,-2.1 -2,-0.4 2,-0.3 -0.889 9.5-174.7-114.5 149.9 -7.0 -33.3 -10.5 66 66 A H - 0 0 10 39,-2.2 41,-0.4 -2,-0.4 -30,-0.0 -0.934 22.0-165.1-149.8 125.1 -5.6 -33.4 -14.0 67 67 A G - 0 0 28 -2,-0.3 41,-0.1 39,-0.2 39,-0.1 -0.925 39.2-135.4 -99.5 105.5 -4.8 -30.8 -16.7 68 68 A P - 0 0 0 0, 0.0 44,-3.1 0, 0.0 2,-0.1 -0.263 7.5-121.4 -68.8 150.8 -4.5 -33.1 -19.7 69 69 A S > - 0 0 39 42,-0.2 3,-1.8 1,-0.1 41,-0.0 -0.350 31.8-104.9 -77.8 165.7 -1.7 -32.8 -22.4 70 70 A A G > S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 6,-0.1 0.827 123.6 59.8 -63.8 -28.1 -2.5 -32.3 -26.0 71 71 A E G 3 S+ 0 0 121 1,-0.2 -1,-0.3 13,-0.1 13,-0.1 0.567 104.3 50.3 -73.7 -9.8 -1.7 -35.9 -26.6 72 72 A Q G < S+ 0 0 30 -3,-1.8 2,-1.1 12,-0.1 -1,-0.2 0.158 77.6 136.5-112.6 18.4 -4.4 -36.9 -24.1 73 73 A N X - 0 0 13 -3,-1.2 3,-2.3 1,-0.2 38,-0.2 -0.546 35.4-170.5 -74.5 95.1 -7.1 -34.8 -25.8 74 74 A L T 3 S+ 0 0 0 -2,-1.1 58,-0.3 36,-0.6 -1,-0.2 0.602 86.7 56.5 -58.3 -17.5 -10.3 -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 0.455 79.2 133.0 -95.4 -2.4 -11.8 -34.2 -28.2 76 76 A S < - 0 0 7 -3,-2.3 6,-0.2 1,-0.1 -5,-0.0 -0.141 56.5-143.6 -54.7 138.4 -9.1 -34.4 -30.8 77 77 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.723 84.0 91.2 -73.5 -17.7 -10.1 -34.6 -34.5 78 78 A D S > S- 0 0 66 1,-0.2 4,-1.8 2,-0.0 3,-0.4 -0.688 72.5-151.7 -78.2 115.9 -7.1 -36.9 -34.9 79 79 A P H > S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.776 92.8 57.0 -60.4 -28.3 -8.4 -40.5 -34.3 80 80 A D H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.871 105.2 48.6 -70.4 -40.1 -5.0 -41.6 -33.1 81 81 A I H > S+ 0 0 46 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.901 109.9 52.6 -66.3 -41.8 -4.8 -39.0 -30.3 82 82 A R H X S+ 0 0 52 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.867 111.7 47.5 -61.8 -34.1 -8.3 -39.9 -29.2 83 83 A K H X S+ 0 0 118 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.919 112.0 47.1 -73.0 -44.1 -7.2 -43.5 -29.0 84 84 A N H X S+ 0 0 89 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.881 113.3 53.0 -60.7 -39.2 -4.0 -42.8 -27.1 85 85 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.910 107.9 46.6 -63.8 -47.9 -6.1 -40.6 -24.8 86 86 A K H X S+ 0 0 38 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.924 113.7 50.8 -63.2 -41.4 -8.7 -43.3 -24.0 87 87 A A H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 109.8 50.1 -60.7 -45.6 -5.8 -45.7 -23.4 88 88 A F H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.951 113.3 44.9 -58.6 -49.6 -4.2 -43.1 -21.1 89 89 A Y H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.886 109.8 55.7 -63.7 -37.5 -7.3 -42.6 -19.1 90 90 A T H X S+ 0 0 43 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.950 111.4 42.6 -60.7 -47.9 -8.1 -46.3 -18.9 91 91 A D H X S+ 0 0 67 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.919 114.9 51.7 -63.9 -40.2 -4.7 -47.1 -17.4 92 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.922 107.4 51.6 -63.5 -45.9 -5.0 -44.0 -15.0 93 93 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.882 107.9 52.6 -61.3 -36.8 -8.5 -45.0 -13.7 94 94 A K H X S+ 0 0 111 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.910 108.7 50.1 -67.9 -34.4 -7.2 -48.5 -12.9 95 95 A R H X S+ 0 0 46 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.932 109.3 52.0 -65.3 -41.4 -4.4 -46.9 -10.9 96 96 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.9 0.909 107.1 53.1 -60.1 -39.5 -7.0 -44.7 -9.2 97 97 A Y H ><5S+ 0 0 149 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.951 108.9 48.3 -61.9 -46.5 -8.9 -47.9 -8.3 98 98 A K H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 111.5 52.0 -63.2 -25.8 -5.7 -49.4 -6.8 99 99 A L H 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.557 111.8-119.5 -86.0 -12.3 -5.2 -46.1 -4.9 100 100 A D T <<5 + 0 0 97 -3,-1.2 2,-0.4 -4,-0.9 -38,-0.2 0.818 64.1 148.0 72.7 34.4 -8.8 -46.1 -3.4 101 101 A V < - 0 0 0 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.852 27.1-179.7-100.1 134.2 -9.4 -42.8 -5.2 102 102 A H + 0 0 87 -40,-0.5 44,-2.3 -2,-0.4 2,-0.3 0.132 58.0 57.6-123.4 21.8 -13.0 -42.2 -6.4 103 103 A L E + e 0 146A 17 42,-0.2 -39,-2.1 -41,-0.2 2,-0.4 -0.932 45.6 172.3-155.4 129.6 -12.8 -38.8 -8.0 104 104 A I E +de 64 147A 1 42,-2.4 44,-3.0 -2,-0.3 2,-0.3 -0.982 16.4 170.5-131.6 147.5 -10.9 -37.1 -10.8 105 105 A G E +de 65 148A 0 -41,-1.8 -39,-2.2 -2,-0.4 2,-0.3 -0.967 21.4 85.4-152.2 167.6 -11.6 -33.6 -12.1 106 106 A G E S- e 0 149A 6 42,-0.8 2,-2.4 -2,-0.3 44,-1.9 -0.882 95.5 -26.9 132.3-163.9 -10.3 -30.9 -14.4 107 107 A A S > S+ 0 0 2 -41,-0.4 3,-2.0 -2,-0.3 42,-0.1 -0.268 74.6 153.8 -81.1 57.7 -10.6 -30.2 -18.1 108 108 A L T 3 + 0 0 0 -2,-2.4 -34,-0.3 40,-0.4 -1,-0.2 0.591 64.3 59.9 -64.8 -10.6 -11.0 -34.0 -18.7 109 109 A Y T 3 S+ 0 0 0 -3,-0.2 -1,-0.3 41,-0.1 2,-0.2 0.270 123.4 2.8 -98.3 8.2 -13.0 -33.3 -21.9 110 110 A S S < S- 0 0 0 -3,-2.0 -36,-0.6 -36,-0.1 2,-0.3 -0.443 91.9 -84.1-156.3-136.4 -10.2 -31.4 -23.6 111 111 A Y - 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0 0 21 -4,-1.9 320,-0.3 -5,-0.2 3,-0.2 -0.322 52.4-156.9 -78.8 147.3 -23.9 4.8 6.0 483 192 B D S S+ 0 0 54 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.906 94.2 16.5 -74.6 -41.4 -23.6 5.2 2.3 484 193 B S > - 0 0 14 1,-0.2 4,-2.4 317,-0.1 -1,-0.3 -0.994 57.6-160.0-138.0 128.1 -20.3 3.3 2.6 485 194 B I H > S+ 0 0 3 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.987 103.2 41.8 -68.5 -57.1 -18.8 1.1 5.4 486 195 B G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 115.9 52.9 -55.1 -42.2 -15.2 1.4 4.2 487 196 B G H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 107.2 49.4 -60.9 -46.0 -16.0 5.1 3.6 488 197 B A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.912 111.4 50.2 -60.4 -42.3 -17.3 5.7 7.1 489 198 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 112.3 46.7 -62.6 -47.2 -14.2 4.0 8.6 490 199 B R H < S+ 0 0 62 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.838 109.8 54.8 -65.7 -32.3 -11.9 6.2 6.5 491 200 B T H < S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.942 109.7 46.2 -65.1 -44.1 -14.0 9.2 7.5 492 201 B A H >< S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.1 4,-0.3 0.940 86.0 144.1 -63.6 -43.5 -13.4 8.4 11.2 493 202 B G G >< S+ 0 0 14 -4,-2.6 3,-1.7 1,-0.3 -1,-0.1 -0.097 71.8 5.6 47.1-124.1 -9.7 7.8 10.5 494 203 B S G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.763 129.3 62.6 -63.9 -23.8 -7.4 8.9 13.4 495 204 B Y G < S+ 0 0 91 -3,-2.0 -24,-2.0 -4,-0.2 2,-0.5 0.701 74.5 106.9 -74.3 -17.5 -10.4 9.7 15.4 496 205 B L E < +o 471 0B 10 -3,-1.7 33,-0.3 -4,-0.3 -24,-0.2 -0.486 36.5 163.7 -64.7 116.9 -11.6 6.0 15.5 497 206 B G E + 0 0 10 -26,-2.8 34,-0.4 -2,-0.5 2,-0.3 0.477 59.7 10.5-113.6 -3.7 -10.9 4.8 19.0 498 207 B H E -o 472 0B 0 -27,-0.5 -25,-1.5 32,-0.1 2,-0.4 -0.949 59.8-151.9-168.7 152.2 -13.1 1.6 19.3 499 208 B L E -op 473 532B 0 32,-1.0 34,-2.7 -2,-0.3 2,-0.4 -0.993 2.3-158.2-139.7 129.5 -15.1 -0.6 17.1 500 209 B H E -op 474 533B 3 -27,-2.5 -25,-2.3 -2,-0.4 2,-0.3 -0.839 15.5-157.5-101.5 144.0 -18.1 -2.8 17.8 501 210 B T E + p 0 534B 2 32,-2.3 34,-2.9 -2,-0.4 2,-0.3 -0.891 26.1 132.6-126.9 152.0 -18.9 -5.7 15.5 502 211 B G - 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0 0 143 -3,-1.8 -2,-0.1 -18,-0.3 -17,-0.1 0.938 68.1 -47.2 58.2 48.8 -28.2 -14.0 -26.5 1136 266 D G T 3 S+ 0 0 59 1,-0.2 -1,-0.2 -4,-0.1 5,-0.1 0.628 86.9 171.1 71.5 16.9 -29.1 -13.3 -30.1 1137 267 D A < - 0 0 12 -3,-0.5 -1,-0.2 4,-0.1 2,-0.2 -0.242 21.5-146.7 -59.2 145.0 -29.3 -9.5 -30.0 1138 268 D D > - 0 0 97 -4,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.492 40.2 -86.4-100.8 178.0 -29.7 -7.7 -33.3 1139 269 D E H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.834 129.4 49.9 -57.0 -33.8 -28.2 -4.2 -33.8 1140 270 D K H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 110.8 48.5 -70.2 -44.1 -31.2 -2.4 -32.3 1141 271 D M H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.902 111.6 50.2 -62.4 -42.7 -31.2 -4.6 -29.2 1142 272 D L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.923 110.3 52.3 -61.6 -40.0 -27.5 -4.0 -28.8 1143 273 D D H X S+ 0 0 21 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.914 108.7 48.8 -59.9 -47.0 -28.2 -0.3 -29.2 1144 274 D R H X S+ 0 0 143 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.893 111.1 48.9 -62.3 -44.7 -30.9 -0.4 -26.4 1145 275 D E H X S+ 0 0 79 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.924 110.6 49.9 -64.5 -41.8 -28.7 -2.2 -23.9 1146 276 D A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.871 111.8 49.5 -64.7 -35.9 -25.8 0.1 -24.4 1147 277 D Q H X S+ 0 0 74 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.933 111.2 47.8 -69.5 -45.1 -28.1 3.0 -23.9 1148 278 D A H X S+ 0 0 29 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.931 111.5 51.7 -59.9 -41.5 -29.6 1.6 -20.7 1149 279 D A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.820 107.5 54.2 -65.1 -29.7 -26.0 0.9 -19.4 1150 280 D L H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.889 108.3 46.4 -68.6 -47.0 -25.1 4.4 -20.2 1151 281 D D H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.952 114.4 50.6 -59.4 -46.0 -28.0 5.8 -18.1 1152 282 D F H X S+ 0 0 11 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.937 110.7 47.7 -55.6 -49.0 -26.9 3.3 -15.4 1153 283 D S H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.889 111.9 48.0 -64.5 -42.3 -23.3 4.4 -15.5 1154 284 D R H X S+ 0 0 62 -4,-2.4 4,-1.0 3,-0.2 -1,-0.2 0.914 117.6 44.5 -65.2 -37.8 -24.0 8.1 -15.3 1155 285 D Y H < S+ 0 0 29 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.978 121.6 33.0 -68.5 -57.2 -26.4 7.5 -12.5 1156 286 D V H < S+ 0 0 5 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.903 119.8 48.3 -69.4 -43.7 -24.4 5.1 -10.3 1157 287 D L H < 0 0 4 -4,-1.9 -1,-0.2 -5,-0.4 -3,-0.2 0.733 360.0 360.0 -74.2 -25.9 -20.9 6.3 -11.0 1158 288 D E < 0 0 109 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.1 0.760 360.0 360.0 -88.8 360.0 -21.1 10.1 -10.5