==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAR-12 3VPS . COMPND 2 MOLECULE: NAD-DEPENDENT EPIMERASE/DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CHARTREUSIS; . AUTHOR F.J.WYSZYNSKI,S.S.LEE,T.YABE,H.WANG,J.P.GOMEZ-ESCRIBANO,M.J. . 604 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 0 0.0 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 . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 0 2 1 1 4 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 6 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 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 7 A K 0 0 113 0, 0.0 63,-0.2 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 107.2 -36.5 -26.4 -5.9 2 8 A H + 0 0 87 61,-2.3 25,-0.4 64,-0.0 62,-0.2 0.488 360.0 101.7-145.5 -19.6 -36.0 -23.8 -8.7 3 9 A R E -a 64 0A 29 60,-2.7 62,-2.5 23,-0.1 63,-1.4 -0.414 56.3-141.3 -78.1 153.5 -36.4 -20.2 -7.3 4 10 A I E -ab 66 28A 0 23,-2.8 25,-3.0 60,-0.2 2,-0.4 -0.970 13.7-161.2-112.9 130.9 -33.6 -17.8 -6.5 5 11 A L E -ab 67 29A 0 61,-2.2 63,-2.6 -2,-0.5 2,-0.6 -0.905 2.9-166.1-111.8 134.7 -33.9 -15.7 -3.3 6 12 A I E > -ab 68 30A 0 23,-2.7 25,-2.8 -2,-0.4 3,-1.0 -0.932 7.3-154.6-125.0 111.8 -31.7 -12.6 -3.0 7 13 A T E 3 S+ab 69 31A 0 61,-2.3 63,-1.2 -2,-0.6 25,-0.2 -0.592 90.9 26.1 -77.8 149.2 -31.4 -10.8 0.4 8 14 A G T > S+ 0 0 10 23,-2.2 3,-1.9 -2,-0.2 6,-0.4 0.709 84.7 149.1 72.1 17.6 -30.6 -7.1 0.0 9 15 A G T < + 0 0 0 22,-1.2 23,-0.1 -3,-1.0 9,-0.1 0.439 62.6 54.9 -75.0 -1.8 -32.3 -7.5 -3.4 10 16 A A T 3 S+ 0 0 8 21,-0.2 30,-0.3 8,-0.1 -1,-0.3 0.489 97.9 85.7 -96.8 -8.0 -33.6 -3.9 -3.6 11 17 A G S <> S- 0 0 27 -3,-1.9 4,-1.8 27,-0.1 5,-0.4 0.021 97.9 -81.0 -85.7-167.7 -30.0 -2.5 -3.1 12 18 A F H > S+ 0 0 22 2,-0.2 4,-1.7 3,-0.2 5,-0.2 0.978 121.7 23.3 -70.1 -60.9 -27.3 -1.8 -5.5 13 19 A I H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 127.4 48.5 -71.7 -46.3 -25.6 -5.3 -6.2 14 20 A G H > S+ 0 0 2 -6,-0.4 4,-2.8 2,-0.2 -5,-0.2 0.883 111.2 50.5 -64.2 -34.0 -28.6 -7.3 -5.2 15 21 A G H X S+ 0 0 2 -4,-1.8 4,-2.5 -7,-0.4 -1,-0.2 0.933 112.1 46.0 -71.3 -44.1 -31.0 -5.2 -7.4 16 22 A H H X S+ 0 0 30 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.906 114.4 49.1 -60.9 -41.8 -28.9 -5.5 -10.5 17 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.942 110.6 50.7 -63.5 -45.2 -28.5 -9.2 -9.9 18 24 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.928 111.3 48.2 -58.0 -48.3 -32.2 -9.7 -9.4 19 25 A R H X S+ 0 0 58 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.893 110.6 50.3 -61.2 -43.8 -32.9 -7.8 -12.7 20 26 A A H X S+ 0 0 32 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.861 112.8 47.0 -63.3 -39.1 -30.4 -9.9 -14.6 21 27 A L H <>S+ 0 0 2 -4,-2.4 5,-2.7 2,-0.2 4,-0.2 0.893 112.6 48.0 -70.5 -38.7 -31.9 -13.1 -13.3 22 28 A V H ><5S+ 0 0 22 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.934 109.8 53.4 -66.7 -42.0 -35.4 -12.1 -14.0 23 29 A A H 3<5S+ 0 0 28 -4,-2.8 300,-0.3 1,-0.3 -1,-0.2 0.809 105.9 55.7 -57.1 -28.2 -34.3 -11.0 -17.5 24 30 A S T 3<5S- 0 0 72 -4,-1.0 -1,-0.3 -3,-0.1 -2,-0.2 0.388 125.1-100.0 -84.6 -4.4 -32.8 -14.6 -17.9 25 31 A G T < 5S+ 0 0 44 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.558 74.3 144.3 97.1 7.9 -36.1 -16.3 -17.2 26 32 A E < - 0 0 65 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.3 -0.467 54.8-119.7 -86.1 154.7 -35.5 -17.2 -13.5 27 33 A E - 0 0 80 -25,-0.4 -23,-2.8 -2,-0.1 2,-0.4 -0.828 43.3-171.2 -88.7 119.1 -38.1 -17.1 -10.8 28 34 A V E -b 4 0A 4 -2,-0.6 19,-1.5 -25,-0.2 2,-0.5 -0.938 22.7-168.3-125.9 135.2 -36.7 -14.6 -8.3 29 35 A T E -bc 5 47A 2 -25,-3.0 -23,-2.7 -2,-0.4 2,-0.5 -0.992 12.4-157.7-112.0 130.9 -37.7 -13.5 -4.8 30 36 A V E -bc 6 48A 0 17,-2.8 19,-3.1 -2,-0.5 2,-0.5 -0.905 2.9-164.6-103.9 134.8 -36.1 -10.4 -3.3 31 37 A L E +bc 7 49A 2 -25,-2.8 -23,-2.2 -2,-0.5 -22,-1.2 -0.971 27.5 140.9-115.4 126.3 -35.9 -9.9 0.4 32 38 A D - 0 0 17 17,-2.6 -2,-0.1 -2,-0.5 -25,-0.0 -0.904 40.8-156.4-164.9 126.9 -35.2 -6.4 1.6 33 39 A D - 0 0 47 -2,-0.3 17,-0.1 17,-0.2 -1,-0.0 0.447 40.3-127.5 -91.1 7.9 -36.5 -4.3 4.5 34 40 A L + 0 0 49 17,-0.1 16,-0.0 1,-0.1 -2,-0.0 0.784 52.9 155.5 55.5 34.2 -35.6 -1.0 2.8 35 41 A R S S+ 0 0 100 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.738 74.6 38.0 -66.6 -21.5 -33.7 0.1 5.9 36 42 A V S S- 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.993 105.9-108.8-119.7 141.8 -31.7 2.3 3.4 37 43 A P - 0 0 104 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.486 34.4-124.1 -73.6 129.1 -33.8 3.9 0.6 38 44 A P - 0 0 37 0, 0.0 -27,-0.1 0, 0.0 135,-0.1 -0.385 2.9-138.6 -71.1 145.8 -32.9 2.2 -2.8 39 45 A M S S+ 0 0 31 133,-0.5 134,-0.1 1,-0.2 -28,-0.1 0.867 96.7 45.8 -65.3 -34.8 -31.8 4.5 -5.7 40 46 A I S S- 0 0 46 -30,-0.3 -1,-0.2 132,-0.2 -25,-0.0 -0.927 97.9-114.0-113.7 120.2 -34.0 2.4 -7.9 41 47 A P - 0 0 96 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.247 30.2-119.8 -53.2 140.9 -37.5 1.5 -7.0 42 48 A P > + 0 0 38 0, 0.0 3,-1.2 0, 0.0 286,-0.1 0.640 66.9 132.3 -61.8 -18.2 -37.7 -2.3 -6.5 43 49 A E T 3 + 0 0 131 1,-0.2 286,-0.1 2,-0.1 0, 0.0 -0.020 65.8 23.7 -41.1 133.6 -40.3 -2.9 -9.2 44 50 A G T 3 S+ 0 0 12 2,-0.2 -1,-0.2 284,-0.2 284,-0.1 0.522 88.6 105.6 91.8 3.1 -39.6 -5.7 -11.7 45 51 A T S < S- 0 0 6 -3,-1.2 2,-0.1 1,-0.4 -2,-0.1 0.263 85.1-103.4-100.4 19.2 -37.3 -7.7 -9.5 46 52 A G S S- 0 0 40 -17,-0.1 -1,-0.4 2,-0.1 -17,-0.2 -0.464 72.2 -6.0 101.0-169.6 -39.7 -10.5 -8.6 47 53 A K E S-c 29 0A 103 -19,-1.5 -17,-2.8 -2,-0.1 2,-0.5 -0.365 73.1-141.4 -56.9 135.7 -41.8 -11.4 -5.5 48 54 A F E -c 30 0A 65 -19,-0.2 2,-0.6 -2,-0.1 -17,-0.2 -0.923 19.4-168.4-119.7 127.4 -40.9 -9.0 -2.8 49 55 A L E -c 31 0A 28 -19,-3.1 -17,-2.6 -2,-0.5 2,-1.5 -0.941 9.6-162.4-110.8 106.2 -40.5 -9.8 0.9 50 56 A E + 0 0 130 -2,-0.6 -17,-0.2 -19,-0.2 -19,-0.1 -0.678 53.4 91.5 -95.2 82.8 -40.2 -6.5 2.8 51 57 A K S S- 0 0 28 -2,-1.5 -17,-0.1 0, 0.0 -2,-0.1 -0.972 80.1 -80.8-159.9 164.6 -38.7 -7.7 6.1 52 58 A P > - 0 0 28 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.315 40.8-113.3 -66.2 154.8 -35.4 -8.3 7.7 53 59 A V G > S+ 0 0 7 1,-0.3 3,-2.2 2,-0.2 -21,-0.0 0.867 116.6 68.4 -51.9 -38.1 -33.4 -11.4 7.0 54 60 A L G 3 S+ 0 0 68 1,-0.3 -1,-0.3 34,-0.0 39,-0.0 0.583 95.4 54.6 -61.2 -12.3 -34.0 -12.3 10.6 55 61 A E G < S+ 0 0 117 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.218 76.3 126.9-105.6 10.0 -37.7 -12.8 9.8 56 62 A L < - 0 0 5 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.455 45.0-159.9 -59.1 139.8 -37.1 -15.2 6.9 57 63 A E >> - 0 0 90 -2,-0.1 3,-1.5 1,-0.1 4,-0.6 -0.836 31.1-103.7-126.5 158.7 -39.1 -18.4 7.5 58 64 A E H >> S+ 0 0 122 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 0.889 119.2 56.2 -41.1 -48.9 -39.0 -22.0 6.3 59 65 A R H 34 S+ 0 0 197 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.713 96.7 62.5 -68.1 -21.2 -41.9 -21.4 3.9 60 66 A D H <4 S+ 0 0 26 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.725 112.5 38.9 -68.8 -21.5 -40.0 -18.5 2.2 61 67 A L H X< S+ 0 0 0 -3,-1.7 3,-2.1 -4,-0.6 -2,-0.2 0.429 81.8 106.4-106.0 -2.8 -37.4 -21.1 1.2 62 68 A S T 3< S+ 0 0 75 -4,-0.5 -1,-0.1 -3,-0.3 -2,-0.1 0.772 94.0 27.1 -63.1 -28.3 -39.5 -24.1 0.3 63 69 A D T 3 S+ 0 0 41 -4,-0.2 -60,-2.7 -3,-0.2 -61,-2.3 0.203 97.6 119.1-111.7 17.6 -39.1 -23.9 -3.5 64 70 A V E < +a 3 0A 0 -3,-2.1 -60,-0.2 -63,-0.2 3,-0.1 -0.685 32.4 173.7 -95.8 127.3 -35.7 -22.1 -3.4 65 71 A R E + 0 0 66 -62,-2.5 42,-1.3 -2,-0.4 2,-0.4 0.718 69.9 25.6 -96.8 -22.5 -32.6 -23.7 -4.9 66 72 A L E -ad 4 107A 0 -63,-1.4 -61,-2.2 40,-0.2 2,-0.4 -0.996 59.6-164.0-151.1 134.4 -30.1 -20.9 -4.5 67 73 A V E -ad 5 108A 0 40,-2.1 42,-2.9 -2,-0.4 2,-0.6 -0.958 5.8-161.9-118.8 135.5 -29.7 -17.9 -2.2 68 74 A Y E -ad 6 109A 0 -63,-2.6 -61,-2.3 -2,-0.4 2,-1.0 -0.985 13.6-156.3-110.4 116.1 -27.5 -14.9 -2.6 69 75 A H E +ad 7 110A 3 40,-3.5 42,-2.4 -2,-0.6 -61,-0.1 -0.802 37.9 141.5 -96.9 101.0 -27.1 -13.2 0.7 70 76 A L + 0 0 26 -63,-1.2 2,-0.3 -2,-1.0 -62,-0.2 0.404 28.2 118.3-119.3 -1.3 -26.3 -9.6 -0.0 71 77 A A + 0 0 24 -3,-0.1 2,-0.3 -57,-0.1 -63,-0.1 -0.565 40.4 138.0 -74.5 126.2 -28.2 -7.8 2.7 72 78 A S - 0 0 35 -2,-0.3 2,-0.5 -64,-0.0 14,-0.0 -0.988 64.0-115.2-154.8 152.5 -25.8 -6.0 5.0 73 79 A H + 0 0 38 -2,-0.3 16,-0.0 13,-0.2 -2,-0.0 -0.886 47.5 179.4 -78.4 134.5 -25.1 -2.8 6.9 74 80 A K + 0 0 75 -2,-0.5 2,-0.7 64,-0.0 -1,-0.1 0.360 29.8 115.6-128.1 8.6 -22.1 -1.9 4.7 75 81 A S > - 0 0 10 1,-0.2 4,-1.7 2,-0.1 62,-0.2 -0.713 40.0-166.7 -93.4 116.4 -20.6 1.4 5.8 76 82 A V H >> S+ 0 0 22 -2,-0.7 4,-0.6 1,-0.2 3,-0.6 0.977 88.7 42.4 -61.6 -57.6 -17.0 1.3 7.1 77 83 A P H >4 S+ 0 0 44 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.886 113.6 51.8 -63.3 -38.1 -16.9 4.8 8.6 78 84 A R H >> S+ 0 0 112 1,-0.3 3,-2.1 2,-0.2 4,-1.8 0.825 95.7 69.7 -67.4 -31.1 -20.4 4.6 10.1 79 85 A S H << S+ 0 0 0 -4,-1.7 -1,-0.3 -3,-0.6 7,-0.2 0.757 90.0 63.2 -58.0 -22.6 -19.6 1.3 11.8 80 86 A F T << S+ 0 0 72 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.741 110.9 38.7 -70.1 -21.7 -17.2 3.2 14.2 81 87 A K T <4 S+ 0 0 172 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.688 127.1 30.0 -99.8 -32.8 -20.4 5.1 15.4 82 88 A Q S X S+ 0 0 65 -4,-1.8 4,-1.2 1,-0.1 3,-0.3 -0.532 70.6 152.7-120.4 62.3 -23.0 2.4 15.6 83 89 A P T 4 S+ 0 0 59 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.896 71.2 54.8 -66.4 -35.4 -20.8 -0.7 16.3 84 90 A L T >4 S+ 0 0 137 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.850 100.8 59.6 -63.6 -34.4 -23.6 -2.6 18.0 85 91 A D T >4 S+ 0 0 81 -3,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.849 94.7 65.0 -61.7 -34.0 -25.9 -2.3 15.0 86 92 A Y T >X S+ 0 0 5 -4,-1.2 3,-1.9 -3,-0.4 4,-0.5 0.713 81.7 76.6 -64.6 -19.8 -23.3 -4.1 12.9 87 93 A L H X> S+ 0 0 91 -3,-1.3 4,-2.6 -4,-0.5 3,-0.8 0.777 78.1 76.1 -56.6 -24.4 -23.9 -7.3 15.0 88 94 A D H <> S+ 0 0 36 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.3 0.811 86.1 62.7 -55.8 -29.8 -27.1 -7.6 12.9 89 95 A N H <> S+ 0 0 6 -3,-1.9 4,-1.4 -4,-0.2 -1,-0.2 0.890 107.9 40.2 -66.8 -36.0 -24.8 -8.8 10.1 90 96 A V H S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 4,-1.4 0.905 110.7 49.2 -61.0 -36.1 -31.3 -23.1 4.8 101 107 A T H <5S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.2 3,-0.2 0.941 111.4 47.2 -67.7 -45.9 -29.9 -26.1 6.6 102 108 A S H <5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 118.7 40.5 -69.5 -28.3 -33.2 -27.1 8.1 103 109 A V H <5S- 0 0 37 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.655 110.5-119.0 -88.0 -19.7 -35.1 -26.8 4.9 104 110 A G T <5 - 0 0 29 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.834 39.8-179.5 82.2 34.3 -32.3 -28.3 2.6 105 111 A V < - 0 0 0 -5,-2.2 -1,-0.2 -6,-0.2 -40,-0.2 -0.544 22.4-142.4 -65.0 131.9 -31.6 -25.3 0.4 106 112 A P + 0 0 51 0, 0.0 53,-2.9 0, 0.0 2,-0.4 0.859 69.9 19.2 -70.8 -37.9 -28.9 -26.6 -2.0 107 113 A K E -de 66 159A 24 -42,-1.3 -40,-2.1 51,-0.3 2,-0.4 -0.995 51.7-177.0-144.7 136.9 -26.7 -23.5 -2.4 108 114 A V E -de 67 160A 0 51,-2.8 53,-2.5 -2,-0.4 2,-0.6 -0.984 11.1-158.8-131.2 126.8 -25.9 -20.2 -0.7 109 115 A V E -de 68 161A 0 -42,-2.9 -40,-3.5 -2,-0.4 2,-0.6 -0.913 17.9-154.3 -98.8 121.0 -23.6 -17.5 -1.9 110 116 A V E -de 69 162A 1 51,-3.2 53,-2.8 -2,-0.6 2,-0.5 -0.871 9.6-134.1-101.0 122.6 -22.6 -15.3 1.1 111 117 A G E + e 0 163A 2 -42,-2.4 2,-0.2 -2,-0.6 53,-0.2 -0.640 38.0 154.4 -78.9 123.9 -21.6 -11.7 0.4 112 118 A S E - e 0 164A 3 51,-3.6 53,-1.4 -2,-0.5 2,-0.3 -0.435 28.1-124.6-126.5-156.0 -18.4 -10.6 2.2 113 119 A T E > - e 0 165A 11 51,-0.3 3,-1.6 -2,-0.2 4,-0.2 -0.999 23.7-114.4-155.9 153.2 -15.8 -8.0 1.5 114 120 A C G > S+ 0 0 2 51,-2.4 3,-2.1 -2,-0.3 4,-0.3 0.697 103.0 84.1 -59.6 -17.8 -12.0 -7.4 1.1 115 121 A E G > S+ 0 0 18 50,-0.3 3,-1.6 1,-0.3 19,-0.4 0.742 73.3 71.8 -63.6 -21.4 -12.3 -5.3 4.3 116 122 A V G < S+ 0 0 0 -3,-1.6 16,-2.5 1,-0.3 -1,-0.3 0.816 91.3 59.3 -65.6 -23.8 -11.9 -8.6 6.3 117 123 A Y G < S- 0 0 2 -3,-2.1 -1,-0.3 14,-0.2 -2,-0.2 0.616 87.6-164.0 -72.9 -12.7 -8.2 -8.5 5.2 118 124 A G < - 0 0 0 -3,-1.6 2,-1.2 -4,-0.3 -1,-0.2 -0.368 69.8 -15.6 56.7-145.2 -7.5 -5.2 6.8 119 125 A Q S S- 0 0 56 13,-0.2 -1,-0.1 142,-0.1 146,-0.1 -0.797 90.3-142.6 -81.0 102.8 -4.3 -3.9 5.3 120 126 A A - 0 0 12 -2,-1.2 -2,-0.1 144,-0.4 144,-0.1 -0.353 12.0-147.1 -67.7 146.5 -3.1 -7.2 3.8 121 127 A D S S+ 0 0 134 -4,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.396 85.9 65.6 -91.4 2.1 0.6 -8.0 4.0 122 128 A T S S- 0 0 63 4,-0.1 -2,-0.1 0, 0.0 -1,-0.1 -0.998 81.0-140.6-126.2 121.2 0.4 -9.9 0.6 123 129 A L S S+ 0 0 73 -2,-0.4 2,-0.1 1,-0.1 144,-0.1 -0.997 92.1 34.9-129.5 130.0 -0.5 -7.8 -2.5 124 130 A P S S- 0 0 43 0, 0.0 143,-0.2 0, 0.0 -1,-0.1 0.687 106.6-130.1 -59.0 153.9 -2.3 -8.9 -4.6 125 131 A T B -g 267 0B 2 141,-3.1 143,-2.1 -2,-0.1 2,-0.1 -0.668 17.7-152.3 -90.8 117.5 -4.2 -10.6 -1.8 126 132 A P > - 0 0 24 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 -0.471 29.3-109.1 -86.0 161.2 -5.1 -14.3 -2.0 127 133 A E T 3 S+ 0 0 19 1,-0.3 99,-0.1 98,-0.1 -2,-0.0 0.705 113.3 64.8 -66.3 -22.9 -8.1 -15.9 -0.3 128 134 A D T 3 S+ 0 0 146 97,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.376 75.4 119.6 -82.1 10.8 -5.9 -17.7 2.2 129 135 A S S < S- 0 0 11 -3,-1.8 -9,-0.0 1,-0.1 -4,-0.0 -0.417 70.4-102.5 -74.2 152.2 -4.6 -14.5 3.8 130 136 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.095 34.8-102.7 -76.3 174.3 -5.4 -13.9 7.4 131 137 A L + 0 0 60 1,-0.1 -14,-0.2 -11,-0.0 -15,-0.1 -0.808 38.8 165.9-106.6 131.5 -8.2 -11.7 8.8 132 138 A S - 0 0 60 -16,-2.5 -13,-0.2 -2,-0.4 -15,-0.1 -0.443 16.0-168.4-141.4 62.2 -7.3 -8.3 10.2 133 139 A P - 0 0 53 0, 0.0 -17,-0.1 0, 0.0 -18,-0.1 -0.313 8.4-174.8 -66.6 135.8 -10.6 -6.3 10.5 134 140 A R + 0 0 97 -19,-0.4 -18,-0.1 126,-0.1 3,-0.1 0.438 65.3 41.7-108.4 -5.6 -9.9 -2.6 11.2 135 141 A S S > S- 0 0 8 -20,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.932 84.9-110.5-134.8 160.6 -13.5 -1.5 11.7 136 142 A P H > S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.912 120.3 54.7 -57.8 -35.9 -16.7 -2.8 13.4 137 143 A Y H > S+ 0 0 18 -61,-0.4 4,-1.8 1,-0.2 5,-0.2 0.945 110.0 45.0 -60.1 -49.6 -18.2 -3.3 10.0 138 144 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 111.9 53.5 -61.6 -37.8 -15.2 -5.4 8.9 139 145 A A H X S+ 0 0 47 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.899 106.2 52.4 -62.5 -40.6 -15.4 -7.3 12.2 140 146 A S H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.869 109.1 50.0 -66.7 -31.0 -19.1 -8.1 11.6 141 147 A K H X S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.875 107.7 53.0 -77.4 -35.6 -18.2 -9.5 8.2 142 148 A V H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 109.8 49.2 -57.0 -47.5 -15.5 -11.6 9.8 143 149 A G H X S+ 0 0 21 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.915 109.9 50.8 -55.4 -44.5 -18.2 -12.9 12.2 144 150 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 109.3 51.3 -61.1 -43.6 -20.5 -13.6 9.2 145 151 A E H X S+ 0 0 8 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.859 106.7 54.4 -61.6 -38.1 -17.6 -15.6 7.5 146 152 A M H X S+ 0 0 105 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.913 108.9 48.1 -61.1 -41.0 -17.1 -17.6 10.7 147 153 A V H X S+ 0 0 23 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.939 113.1 46.5 -61.5 -48.2 -20.7 -18.6 10.7 148 154 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.884 107.7 59.1 -62.8 -41.1 -20.5 -19.6 7.0 149 155 A G H X S+ 0 0 21 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.884 102.1 52.9 -54.8 -40.3 -17.2 -21.5 7.6 150 156 A A H X S+ 0 0 67 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.922 109.4 48.9 -62.2 -42.4 -18.9 -23.8 10.2 151 157 A H H < S+ 0 0 27 -4,-1.5 3,-0.5 1,-0.2 5,-0.4 0.858 108.0 55.7 -65.3 -35.4 -21.7 -24.6 7.5 152 158 A Q H < S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 107.9 48.0 -62.7 -36.0 -18.9 -25.3 5.0 153 159 A R H < S+ 0 0 221 -4,-2.0 2,-0.3 -5,-0.1 -1,-0.2 0.605 96.1 89.8 -78.1 -16.0 -17.3 -27.9 7.3 154 160 A A S < S- 0 0 42 -4,-0.7 2,-1.6 -3,-0.5 -3,-0.0 -0.615 79.1-132.2 -86.5 142.4 -20.6 -29.6 8.0 155 161 A S S S+ 0 0 132 -2,-0.3 2,-0.3 4,-0.0 -1,-0.1 -0.325 76.5 87.2 -92.9 59.3 -21.6 -32.4 5.7 156 162 A V S S- 0 0 78 -2,-1.6 -2,-0.1 -5,-0.4 -55,-0.1 -0.970 78.4 -51.3-148.3 156.9 -25.2 -31.1 5.1 157 163 A A S S+ 0 0 37 -2,-0.3 -53,-0.2 -56,-0.2 -52,-0.1 -0.350 89.4 67.5 -65.6 151.9 -26.9 -28.7 2.7 158 164 A P - 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0 0 124 -28,-0.2 -28,-0.5 36,-0.0 -2,-0.3 -0.989 62.4-149.6-128.1 146.2 -18.1 -9.2 -37.9 536 239 B S - 0 0 12 -2,-0.4 2,-0.3 -30,-0.2 -30,-0.3 -0.798 7.3-166.5-110.9 157.6 -19.0 -12.2 -40.1 537 240 B L E -U 505 0J 44 -32,-2.7 -32,-2.1 -2,-0.3 2,-0.1 -0.991 23.0-116.9-139.3 143.2 -18.3 -15.9 -39.8 538 241 B S E > -U 504 0J 4 -2,-0.3 4,-1.4 -34,-0.2 3,-0.3 -0.388 28.0-116.0 -69.5 160.2 -18.7 -18.8 -42.3 539 242 B V H > S+ 0 0 11 -36,-1.8 4,-2.5 -38,-0.6 -37,-0.2 0.866 120.4 58.2 -58.1 -37.0 -21.1 -21.6 -41.6 540 243 B N H > S+ 0 0 29 -39,-2.5 4,-2.5 -37,-0.3 -1,-0.2 0.809 99.9 56.4 -64.9 -31.0 -17.9 -23.8 -41.5 541 244 B D H > S+ 0 0 40 -3,-0.3 4,-1.9 -40,-0.3 -1,-0.2 0.896 110.0 44.6 -67.2 -43.0 -16.5 -21.6 -38.7 542 245 B V H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.920 112.0 52.4 -63.0 -44.8 -19.5 -22.3 -36.6 543 246 B I H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.950 109.2 50.9 -56.5 -49.3 -19.3 -26.0 -37.5 544 247 B R H X S+ 0 0 137 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.881 105.4 54.7 -52.8 -48.8 -15.7 -26.0 -36.4 545 248 B I H < S+ 0 0 47 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.894 111.2 46.2 -55.8 -40.0 -16.5 -24.4 -33.0 546 249 B L H >X S+ 0 0 1 -4,-2.0 4,-2.0 -3,-0.3 3,-0.8 0.838 108.2 54.0 -73.2 -34.6 -19.0 -27.2 -32.4 547 250 B Q H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.704 98.7 64.1 -71.9 -22.0 -16.7 -30.0 -33.5 548 251 B A T 3< S+ 0 0 85 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.759 112.1 37.7 -64.1 -24.6 -14.2 -28.6 -31.0 549 252 B T T <4 S+ 0 0 82 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.786 131.5 26.1 -94.7 -35.0 -16.9 -29.6 -28.5 550 253 B S >< + 0 0 40 -4,-2.0 3,-2.5 1,-0.1 -1,-0.2 -0.622 63.6 178.0-136.4 73.4 -18.0 -32.9 -30.1 551 254 B P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.690 79.8 62.1 -48.5 -26.4 -15.2 -34.4 -32.2 552 255 B A T 3 S+ 0 0 76 2,-0.1 -5,-0.1 -58,-0.0 -2,-0.0 0.579 80.1 113.8 -81.3 -9.5 -17.3 -37.5 -33.2 553 256 B A < - 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0 0 47 1,-0.1 2,-0.6 -304,-0.1 -303,-0.3 0.441 360.0 -92.4 86.9 146.2 -20.8 -8.5 -25.6 585 289 B I - 0 0 42 -76,-0.1 -76,-0.5 -305,-0.1 -1,-0.1 -0.840 41.4-136.4 -97.9 117.4 -20.9 -12.3 -25.8 586 290 B G > - 0 0 29 -2,-0.6 4,-2.9 1,-0.1 5,-0.2 -0.192 24.0-104.5 -70.9 167.1 -18.4 -13.7 -28.2 587 291 B I H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 117.4 52.9 -64.0 -42.7 -19.3 -16.5 -30.7 588 292 B E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 115.7 39.8 -53.5 -55.9 -17.4 -19.3 -28.7 589 293 B E H > S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.874 114.6 52.9 -63.3 -43.6 -19.3 -18.5 -25.5 590 294 B G H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.910 109.7 48.1 -62.6 -44.5 -22.6 -17.9 -27.2 591 295 B I H X S+ 0 0 5 -4,-2.6 4,-3.4 -5,-0.2 -2,-0.2 0.945 111.9 50.6 -59.6 -46.1 -22.5 -21.2 -29.0 592 296 B R H X S+ 0 0 89 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.918 111.6 47.2 -54.5 -47.9 -21.6 -22.9 -25.7 593 297 B L H X S+ 0 0 43 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.897 113.5 49.0 -65.0 -40.4 -24.5 -21.3 -23.8 594 298 B T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-0.4 0.970 113.0 46.5 -61.9 -53.3 -26.8 -22.2 -26.6 595 299 B L H X S+ 0 0 11 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.888 110.2 53.6 -56.0 -45.0 -25.6 -25.8 -26.7 596 300 B E H X S+ 0 0 85 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.814 108.3 50.2 -56.5 -37.3 -25.9 -26.0 -22.8 597 301 B W H >< S+ 0 0 47 -4,-1.7 3,-0.8 -3,-0.4 4,-0.4 0.916 109.3 50.0 -71.3 -44.6 -29.5 -24.9 -23.0 598 302 B W H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.894 106.6 58.1 -56.6 -37.6 -30.2 -27.5 -25.7 599 303 B Q H 3< S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.748 100.5 55.8 -62.6 -27.8 -28.6 -30.0 -23.3 600 304 B S T << S+ 0 0 89 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.2 0.450 89.8 96.5 -85.0 -4.5 -31.1 -29.1 -20.5 601 305 B R S < S- 0 0 59 -3,-1.3 2,-0.1 -4,-0.4 -3,-0.0 -0.646 86.4-106.2 -84.5 142.5 -34.0 -30.0 -22.8 602 306 B D > - 0 0 105 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.418 31.4-118.3 -69.9 142.1 -35.6 -33.4 -22.6 603 307 B L T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.804 110.3 53.6 -49.3 -43.4 -34.7 -35.6 -25.6 604 308 B D T 3 S+ 0 0 142 1,-0.2 2,-0.9 0, 0.0 -1,-0.3 0.895 103.2 61.7 -63.6 -42.6 -38.2 -36.1 -27.0 605 309 B D < 0 0 73 -3,-0.7 -1,-0.2 0, 0.0 0, 0.0 -0.812 360.0 360.0 -84.4 104.7 -38.7 -32.3 -27.0 606 310 B I 0 0 56 -2,-0.9 -8,-0.0 -115,-0.0 -3,-0.0 -0.686 360.0 360.0 170.9 360.0 -36.0 -31.3 -29.5