==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUL-04 1U1U . COMPND 2 MOLECULE: 5-METHYLTETRAHYDROPTEROYLTRIGLUTAMATE-- . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.-L.FERRER,S.RAVANEL,M.ROBERT,R.DUMAS . 746 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 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 . 64 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 7 1 4 2 2 1 0 1 2 2 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 2 2 3 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 . 1 1 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 . 5 2 1 0 0 0 1 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 2 A A 0 0 65 0, 0.0 322,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 54.3 -38.5 26.0 -101.4 2 3 A S E -a 323 0A 1 50,-0.2 53,-2.9 320,-0.2 2,-0.4 -0.954 360.0-177.6-116.1 128.4 -40.5 28.1 -98.9 3 4 A H E -ab 324 55A 2 320,-2.9 322,-0.7 -2,-0.5 2,-0.4 -0.948 15.8-166.4-128.2 146.8 -40.9 27.1 -95.3 4 5 A I - 0 0 0 51,-0.7 324,-0.1 -2,-0.4 320,-0.1 -0.964 11.8-154.7-130.9 111.5 -42.8 28.5 -92.3 5 6 A V - 0 0 2 -2,-0.4 2,-0.3 322,-0.4 323,-0.2 0.721 68.8 -22.3 -61.0 -24.3 -41.7 27.2 -88.9 6 7 A G - 0 0 2 321,-0.3 323,-0.8 51,-0.0 55,-0.1 -0.965 55.4-142.4-169.1-177.9 -45.1 27.8 -87.2 7 8 A Y - 0 0 6 -2,-0.3 323,-0.3 53,-0.2 327,-0.1 -0.987 31.2 -88.8-161.3 153.4 -48.3 29.8 -87.1 8 9 A P - 0 0 21 0, 0.0 52,-0.1 0, 0.0 322,-0.1 -0.295 28.6-160.4 -62.8 146.8 -50.9 31.5 -84.7 9 10 A R + 0 0 15 321,-0.1 53,-0.2 1,-0.1 32,-0.1 -0.046 69.5 66.3-125.2 36.8 -53.8 29.4 -83.4 10 11 A X S S- 0 0 12 1,-0.2 6,-1.9 6,-0.1 7,-0.5 0.599 97.2 -97.2-126.2 -22.4 -56.6 31.7 -82.2 11 12 A G > - 0 0 19 3,-0.3 3,-1.1 4,-0.2 -1,-0.2 -0.377 30.1 -84.6 123.0 158.4 -58.0 33.5 -85.3 12 13 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 322,-0.1 0.386 138.5 28.4 -76.7 5.3 -57.7 36.7 -87.3 13 14 A K T 3 S- 0 0 119 -3,-0.1 -2,-0.1 488,-0.0 0, 0.0 0.059 125.6 -96.0-149.9 21.4 -60.3 37.9 -84.7 14 15 A R <> + 0 0 51 -3,-1.1 4,-1.0 3,-0.1 3,-0.3 0.819 63.8 160.7 62.6 39.0 -59.3 35.6 -81.7 15 16 A E H >> + 0 0 58 1,-0.2 4,-2.7 2,-0.2 3,-2.0 0.946 69.9 50.4 -51.6 -64.5 -61.9 32.9 -82.4 16 17 A L H 3> S+ 0 0 2 -6,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.812 102.1 65.5 -45.8 -35.9 -60.4 30.1 -80.3 17 18 A K H 3> S+ 0 0 11 -7,-0.5 4,-0.8 -3,-0.3 -1,-0.3 0.879 114.2 29.9 -55.8 -39.3 -60.1 32.6 -77.5 18 19 A F H X>S+ 0 0 39 -4,-3.7 5,-0.9 2,-0.2 3,-0.8 0.992 120.6 33.8 -56.9 -67.6 -67.9 29.6 -74.5 23 24 A F H >X5S+ 0 0 43 -4,-1.4 3,-3.8 -5,-0.2 4,-0.6 0.938 112.7 60.6 -44.5 -75.9 -66.9 26.0 -74.0 24 25 A W H 3<5S+ 0 0 34 -4,-3.9 -1,-0.2 1,-0.3 -3,-0.2 0.650 108.6 42.4 -22.4 -47.9 -64.9 26.4 -70.8 25 26 A D H <<5S- 0 0 99 -4,-1.8 -1,-0.3 -3,-0.8 -2,-0.2 0.446 124.2 -92.7 -91.5 -0.4 -67.8 27.8 -68.8 26 27 A G H <<5S+ 0 0 64 -3,-3.8 -3,-0.2 -4,-0.5 -2,-0.1 0.926 89.0 116.7 89.8 55.3 -70.5 25.3 -70.0 27 28 A K << + 0 0 132 -5,-0.9 2,-0.2 -4,-0.6 -4,-0.2 -0.038 68.4 38.1-142.8 33.8 -72.1 27.1 -72.9 28 29 A S S S- 0 0 25 -5,-0.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.728 81.8-103.5 177.5 130.6 -71.3 24.9 -76.0 29 30 A T >> - 0 0 91 -2,-0.2 3,-3.0 1,-0.2 4,-0.9 -0.260 44.0-105.4 -59.5 147.9 -71.1 21.2 -76.8 30 31 A A H 3> S+ 0 0 44 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.467 122.9 62.3 -55.0 3.9 -67.6 19.8 -77.1 31 32 A E H 3> S+ 0 0 148 2,-0.2 4,-2.4 3,-0.1 -1,-0.3 0.659 85.6 66.9-102.6 -23.7 -68.4 19.9 -80.8 32 33 A D H <> S+ 0 0 63 -3,-3.0 4,-1.9 2,-0.2 3,-0.3 0.990 104.7 48.9 -58.3 -54.0 -69.0 23.6 -81.1 33 34 A L H >X S+ 0 0 2 -4,-0.9 4,-2.3 1,-0.2 3,-1.9 0.943 111.8 45.4 -44.5 -70.7 -65.3 23.9 -80.4 34 35 A Q H 3X S+ 0 0 78 -4,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.777 110.0 54.7 -46.2 -35.5 -64.2 21.2 -83.0 35 36 A K H 3X S+ 0 0 142 -4,-2.4 4,-0.8 -3,-0.3 -1,-0.3 0.855 117.4 40.3 -67.9 -31.1 -66.5 22.8 -85.5 36 37 A V H XX S+ 0 0 40 -3,-1.9 3,-1.3 -4,-1.9 4,-1.0 0.983 113.8 47.9 -77.1 -70.4 -64.6 25.9 -84.7 37 38 A S H >X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.3 3,-2.2 0.865 114.9 48.0 -33.7 -60.5 -61.0 24.6 -84.4 38 39 A A H 3X S+ 0 0 30 -4,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.828 104.5 59.7 -53.4 -38.9 -61.4 22.7 -87.7 39 40 A D H << S+ 0 0 88 -3,-1.3 4,-0.3 -4,-0.8 -1,-0.3 0.643 111.5 42.7 -67.8 -12.9 -62.8 25.8 -89.3 40 41 A L H XX S+ 0 0 24 -3,-2.2 4,-1.7 -4,-1.0 3,-1.5 0.890 110.7 50.6 -93.4 -60.2 -59.5 27.5 -88.5 41 42 A R H 3X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.3 3,-0.4 0.896 108.0 56.4 -40.0 -55.4 -57.1 24.8 -89.4 42 43 A S H 3X S+ 0 0 24 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.826 108.6 47.7 -45.8 -41.9 -58.8 24.5 -92.8 43 44 A S H <> S+ 0 0 54 -3,-1.5 4,-3.1 -4,-0.3 -1,-0.2 0.857 111.4 47.0 -71.4 -41.4 -58.2 28.2 -93.4 44 45 A I H X S+ 0 0 32 -4,-1.7 4,-2.4 -3,-0.4 5,-0.2 0.929 114.8 44.9 -68.8 -49.2 -54.5 28.3 -92.4 45 46 A W H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.965 119.8 44.0 -57.0 -52.9 -53.5 25.3 -94.4 46 47 A K H X S+ 0 0 110 -4,-1.7 4,-2.2 -5,-0.4 -2,-0.2 0.910 115.8 45.8 -58.0 -48.2 -55.5 26.6 -97.3 47 48 A Q H < S+ 0 0 64 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.755 115.0 48.8 -69.9 -25.3 -54.3 30.2 -97.0 48 49 A X H ><>S+ 0 0 1 -4,-2.4 5,-1.5 2,-0.1 3,-0.6 0.897 114.8 41.9 -79.5 -44.4 -50.7 29.0 -96.6 49 50 A S H ><5S+ 0 0 39 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.870 103.7 65.6 -69.9 -40.9 -50.6 26.7 -99.6 50 51 A A T 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 0.681 99.8 55.9 -56.9 -16.7 -52.6 29.0 -101.9 51 52 A A T < 5S- 0 0 42 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.596 128.4 -94.6 -92.2 -13.6 -49.6 31.3 -101.7 52 53 A G T < 5 + 0 0 46 -3,-2.1 2,-0.4 1,-0.2 -50,-0.2 0.475 62.9 170.6 109.2 8.7 -47.1 28.8 -102.9 53 54 A T < - 0 0 8 -5,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.395 14.6-168.8 -60.7 112.9 -46.1 27.7 -99.4 54 55 A K S S+ 0 0 108 -2,-0.4 2,-0.7 -52,-0.3 -51,-0.2 0.996 75.4 34.3 -63.6 -73.6 -43.9 24.6 -99.9 55 56 A F B S-b 3 0A 24 -53,-2.9 -51,-0.7 95,-0.1 -1,-0.2 -0.820 73.8-175.5 -91.5 115.7 -43.6 23.3 -96.3 56 57 A I - 0 0 3 -2,-0.7 95,-1.9 93,-0.3 -51,-0.1 -0.935 24.1-127.9-117.8 106.3 -46.9 24.0 -94.6 57 58 A P E -h 151 0B 2 0, 0.0 2,-0.4 0, 0.0 3,-0.2 -0.228 21.1-166.6 -58.1 136.1 -46.7 23.0 -90.9 58 59 A S E S+h 152 0B 0 93,-2.8 95,-1.6 1,-0.2 82,-0.1 -0.960 72.1 36.8-122.3 138.6 -49.4 20.7 -89.5 59 60 A N S S+ 0 0 20 -2,-0.4 -1,-0.2 93,-0.2 77,-0.1 0.766 76.5 113.6 88.0 30.5 -49.7 20.3 -85.7 60 61 A T + 0 0 25 -3,-0.2 -53,-0.2 -52,-0.1 6,-0.1 0.388 58.7 90.8-103.7 -6.4 -48.8 23.9 -84.9 61 62 A F + 0 0 14 4,-0.1 2,-0.2 -55,-0.1 -52,-0.1 0.032 52.8 170.7 -72.4-171.1 -52.4 24.3 -83.7 62 63 A A - 0 0 0 -53,-0.2 4,-0.1 1,-0.1 -53,-0.0 -0.512 42.1-137.9 159.6 131.6 -53.3 23.7 -80.0 63 64 A H S S- 0 0 24 -2,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.791 103.3 -17.0 -72.4 -24.5 -56.3 24.2 -77.8 64 65 A Y S S+ 0 0 16 1,-0.1 2,-0.4 -3,-0.1 441,-0.1 0.393 121.5 4.8-140.1 -80.3 -53.7 25.4 -75.3 65 66 A D >> - 0 0 2 1,-0.1 4,-3.0 440,-0.1 3,-1.3 -0.972 40.9-141.9-134.9 134.7 -50.0 24.7 -75.5 66 67 A Q H 3> S+ 0 0 40 -2,-0.4 4,-1.2 1,-0.3 89,-0.2 0.817 109.5 50.6 -47.5 -41.6 -47.5 23.1 -77.8 67 68 A V H 3> S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.752 111.4 47.6 -72.1 -28.4 -45.6 21.7 -74.9 68 69 A L H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 5,-0.3 0.873 104.2 59.0 -79.6 -40.4 -48.8 20.2 -73.4 69 70 A D H X S+ 0 0 15 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.894 110.2 46.3 -53.5 -36.5 -49.8 18.8 -76.7 70 71 A T H >X S+ 0 0 3 -4,-1.2 4,-1.4 -5,-0.3 3,-0.7 0.921 107.5 54.1 -70.0 -47.3 -46.5 16.9 -76.4 71 72 A T H 3<>S+ 0 0 3 -4,-1.6 5,-2.1 1,-0.3 6,-0.5 0.789 109.7 50.0 -57.5 -29.2 -47.2 16.0 -72.7 72 73 A A H ><5S+ 0 0 2 -4,-2.3 3,-0.6 3,-0.2 60,-0.4 0.721 100.4 63.7 -81.9 -24.3 -50.4 14.4 -73.9 73 74 A X H <<5S+ 0 0 7 -4,-0.8 59,-1.0 -3,-0.7 60,-0.5 0.865 112.4 35.4 -67.0 -36.0 -48.7 12.5 -76.7 74 75 A L T 3<5S- 0 0 0 -4,-1.4 56,-3.4 57,-0.2 -1,-0.2 0.257 109.1-122.2-100.4 8.7 -46.7 10.6 -74.1 75 76 A G T < 5 + 0 0 5 -3,-0.6 -3,-0.2 54,-0.3 53,-0.2 0.784 59.1 150.5 54.9 30.4 -49.6 10.4 -71.6 76 77 A A < + 0 0 6 -5,-2.1 -4,-0.1 -6,-0.2 -1,-0.1 0.529 18.1 153.0 -70.0 -4.2 -47.5 12.1 -68.9 77 78 A V - 0 0 11 -6,-0.5 6,-0.2 2,-0.1 5,-0.1 0.060 49.8-105.9 -30.5 120.5 -50.7 13.6 -67.5 78 79 A P - 0 0 14 0, 0.0 5,-0.4 0, 0.0 4,-0.1 0.376 18.1-115.4 -42.6-179.2 -50.1 14.2 -63.8 79 80 A P S > S+ 0 0 116 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 0.673 104.8 66.3 -98.2 -25.3 -51.6 12.2 -60.8 80 81 A R T 3 S+ 0 0 81 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.505 98.3 57.1 -75.9 -5.0 -53.8 14.8 -59.1 81 82 A Y T 3 S- 0 0 30 2,-0.0 -1,-0.2 18,-0.0 22,-0.0 0.619 108.4-126.0 -97.5 -18.8 -56.0 14.8 -62.2 82 83 A G < - 0 0 58 -3,-0.6 2,-0.6 1,-0.2 -2,-0.1 0.998 33.4-174.7 70.9 74.0 -56.7 11.0 -62.0 83 84 A Y + 0 0 57 -5,-0.4 -1,-0.2 -6,-0.2 3,-0.1 -0.896 16.9 173.7-105.8 122.3 -55.8 9.5 -65.4 84 85 A T - 0 0 146 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.887 53.9 -90.1 -89.5 -47.1 -56.5 5.9 -65.9 85 86 A G + 0 0 37 2,-0.0 -1,-0.3 47,-0.0 2,-0.1 -0.892 67.3 90.4 155.5 172.6 -55.6 5.7 -69.6 86 87 A G S S- 0 0 45 -2,-0.3 2,-1.2 -3,-0.1 44,-0.0 -0.416 82.4 -18.2 106.1 179.6 -56.7 6.0 -73.2 87 88 A E S S- 0 0 102 -2,-0.1 46,-0.2 46,-0.1 45,-0.1 -0.486 75.0-136.7 -66.6 95.9 -57.0 8.6 -75.9 88 89 A I + 0 0 19 44,-1.7 2,-0.2 -2,-1.2 -1,-0.1 0.031 31.2 171.3 -48.3 161.8 -56.8 11.7 -73.8 89 90 A G > - 0 0 44 44,-0.1 3,-1.1 1,-0.0 2,-1.1 -0.768 48.5 -50.9 178.1 133.9 -59.3 14.6 -74.6 90 91 A L T 3>>S+ 0 0 40 1,-0.3 4,-2.3 -2,-0.2 5,-0.8 -0.015 121.5 62.3 36.9 -75.7 -60.6 17.9 -73.4 91 92 A D T 345S+ 0 0 143 -2,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.773 118.2 30.0 -43.6 -33.6 -61.4 16.8 -69.8 92 93 A V T <>5S+ 0 0 31 -3,-1.1 4,-1.6 3,-0.2 -1,-0.2 0.709 115.2 57.4-102.5 -26.2 -57.7 16.1 -69.3 93 94 A Y H >5S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.942 120.2 29.8 -70.1 -47.8 -56.0 18.6 -71.6 94 95 A F H X>S+ 0 0 8 -4,-2.3 4,-4.6 2,-0.2 5,-1.2 0.775 111.3 66.8 -81.9 -29.5 -57.6 21.6 -69.9 95 96 A S H > -I 103 0C 68 3,-0.8 2,-0.9 4,-0.2 3,-0.6 -0.374 39.9 -77.1 -90.6 171.1 -60.7 22.0 -62.4 101 102 A A T 3 S+ 0 0 101 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.637 121.8 26.1 -77.4 105.1 -62.7 22.6 -59.2 102 103 A S T 3 S+ 0 0 111 -2,-0.9 -1,-0.2 0, 0.0 -3,-0.0 -0.282 124.2 43.7 138.4 -42.5 -61.1 20.2 -56.6 103 104 A V B < S-I 100 0C 35 -3,-0.6 -3,-0.8 -22,-0.0 -22,-0.0 -1.000 82.1-120.2-136.4 134.6 -57.6 20.0 -58.1 104 105 A P - 0 0 86 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.174 22.9-113.1 -70.0 157.9 -55.3 22.8 -59.5 105 106 A A - 0 0 28 -7,-0.4 2,-0.4 -6,-0.2 -8,-0.2 0.265 43.3 -80.8 -73.0-157.5 -53.8 23.2 -63.0 106 107 A X - 0 0 8 -10,-1.6 -1,-0.1 -9,-0.3 14,-0.1 -0.927 45.4 -99.9-116.6 140.3 -50.1 23.0 -63.9 107 108 A E - 0 0 150 -2,-0.4 13,-1.1 13,-0.1 2,-0.3 -0.214 38.6-149.5 -56.8 143.3 -47.5 25.8 -63.4 108 109 A X E +J 119 0D 69 11,-0.2 2,-0.2 9,-0.0 11,-0.2 -0.832 17.2 175.6-115.9 153.4 -46.7 27.8 -66.6 109 110 A T E -J 118 0D 37 9,-2.4 9,-2.5 -2,-0.3 2,-0.2 -0.797 35.6 -61.7-143.6-175.6 -43.5 29.6 -67.7 110 111 A K E -J 117 0D 71 7,-0.3 2,-2.5 -2,-0.2 7,-0.3 -0.489 36.3-123.3 -81.0 143.0 -41.9 31.5 -70.6 111 112 A W S > S- 0 0 11 5,-2.5 3,-1.0 3,-0.2 2,-0.8 -0.388 73.5 -73.0 -79.8 64.1 -41.2 30.1 -74.0 112 113 A F T 3 S- 0 0 35 -2,-2.5 -2,-0.1 1,-0.2 131,-0.1 -0.764 107.5 -21.5 85.0-106.8 -37.5 31.0 -73.8 113 114 A D T 3 S+ 0 0 27 -2,-0.8 -1,-0.2 486,-0.1 2,-0.1 0.260 113.4 105.4-118.0 8.7 -37.2 34.7 -74.0 114 115 A T S < S- 0 0 4 -3,-1.0 -3,-0.2 2,-0.1 -2,-0.0 -0.328 81.5-112.3 -82.9 170.3 -40.6 35.3 -75.8 115 116 A N S S+ 0 0 79 216,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.023 86.7 98.4 -94.0 29.4 -43.7 36.8 -74.2 116 117 A Y - 0 0 1 -5,-0.1 -5,-2.5 388,-0.0 2,-0.4 -0.803 63.4-139.9-113.1 157.1 -45.6 33.5 -74.5 117 118 A H E -J 110 0D 48 -2,-0.3 -7,-0.3 -7,-0.3 2,-0.2 -0.962 13.1-165.9-125.7 137.5 -46.0 30.9 -71.8 118 119 A Y E -J 109 0D 5 -9,-2.5 -9,-2.4 -2,-0.4 2,-0.8 -0.679 30.8-101.4-115.6 168.6 -45.9 27.1 -71.9 119 120 A I E -J 108 0D 4 -2,-0.2 -11,-0.2 -11,-0.2 -48,-0.1 -0.815 37.7-133.0 -94.2 106.1 -47.0 24.3 -69.6 120 121 A V - 0 0 6 -13,-1.1 44,-0.1 -2,-0.8 -13,-0.1 -0.390 21.8-119.6 -61.9 114.7 -43.9 22.9 -67.8 121 122 A P - 0 0 0 0, 0.0 44,-2.8 0, 0.0 2,-0.8 -0.277 18.2-144.6 -55.6 137.0 -43.8 19.1 -68.0 122 123 A E E +k 165 0E 55 42,-0.2 44,-0.3 -46,-0.1 2,-0.1 -0.827 37.5 162.9-108.1 90.9 -43.8 17.6 -64.5 123 124 A L E +k 166 0E 6 42,-2.3 44,-0.8 -2,-0.8 47,-0.1 -0.338 10.1 136.7-104.4-177.1 -41.6 14.5 -64.8 124 125 A G > - 0 0 5 42,-0.2 3,-0.7 -2,-0.1 44,-0.1 -0.970 63.5 -59.2 164.9-173.7 -39.7 12.1 -62.6 125 126 A P T 3 S+ 0 0 57 0, 0.0 -2,-0.0 0, 0.0 41,-0.0 0.421 121.5 51.8 -76.4 0.1 -38.7 8.3 -62.0 126 127 A E T 3 S+ 0 0 190 2,-0.0 2,-0.3 0, 0.0 -3,-0.0 0.447 76.5 111.2-118.5 -0.7 -42.3 7.2 -61.5 127 128 A V < - 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d 0 236A 27 -51,-0.3 2,-0.3 34,-0.2 -1,-0.2 -0.895 66.0-165.2-138.3 166.6 -41.0 15.1 -94.5 202 203 A I E - d 0 237A 8 34,-1.0 36,-1.7 -2,-0.3 2,-0.4 -0.981 12.7-131.6-152.7 156.0 -41.3 15.8 -90.7 203 204 A Q E -cd 153 238A 2 -51,-1.4 -49,-1.3 -2,-0.3 2,-0.5 -0.946 12.5-171.6-122.6 134.4 -40.2 18.6 -88.4 204 205 A L E -cd 154 239A 9 34,-2.8 36,-2.9 -2,-0.4 2,-0.5 -0.918 11.4-154.7-126.1 108.7 -38.4 18.5 -85.0 205 206 A D E +cd 155 240A 16 -51,-2.8 -49,-3.1 -2,-0.5 36,-0.2 -0.671 23.0 163.0 -81.2 124.0 -38.0 21.7 -83.0 206 207 A E > + 0 0 0 34,-3.0 3,-1.6 -2,-0.5 4,-0.2 -0.474 5.9 158.8-139.2 60.7 -35.0 21.6 -80.7 207 208 A P G > + 0 0 2 0, 0.0 3,-2.8 0, 0.0 35,-0.2 0.777 61.8 77.0 -56.1 -32.8 -34.5 25.3 -79.7 208 209 A V G > S+ 0 0 13 1,-0.3 3,-2.6 2,-0.2 5,-0.1 0.703 76.6 76.5 -53.9 -23.3 -32.5 24.5 -76.5 209 210 A L G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 4,-0.2 0.729 88.0 60.5 -60.9 -19.4 -29.5 23.7 -78.8 210 211 A V G < S+ 0 0 0 -3,-2.8 -1,-0.3 -4,-0.2 35,-0.2 0.293 97.4 74.9 -90.9 9.1 -29.3 27.5 -79.0 211 212 A X S < S- 0 0 40 -3,-2.6 2,-0.7 33,-0.1 39,-0.1 -0.131 104.2 -79.9 -99.3-159.4 -28.8 27.6 -75.2 212 213 A D + 0 0 59 390,-0.2 2,-0.4 -2,-0.1 -3,-0.1 -0.726 50.3 176.1-112.0 83.7 -25.6 26.7 -73.4 213 214 A L - 0 0 24 -2,-0.7 37,-0.2 -4,-0.2 2,-0.1 -0.698 26.6-132.4 -85.6 134.9 -25.4 22.9 -73.1 214 215 A E > - 0 0 114 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.400 39.4 -90.0 -76.8 166.9 -22.2 21.7 -71.5 215 216 A G H > S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.763 126.9 54.2 -47.9 -32.1 -20.5 18.8 -73.3 216 217 A Q H > S+ 0 0 132 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.967 109.9 42.9 -70.1 -54.3 -22.4 16.3 -71.3 217 218 A K H >> S+ 0 0 111 -3,-0.2 3,-0.7 1,-0.2 4,-0.6 0.912 106.8 61.2 -59.6 -46.6 -25.9 17.6 -72.0 218 219 A L H >< S+ 0 0 4 -4,-2.2 3,-3.4 1,-0.2 4,-0.4 0.941 97.3 60.6 -42.4 -61.6 -25.2 18.2 -75.7 219 220 A Q H >X S+ 0 0 119 -4,-1.3 3,-1.6 1,-0.3 4,-1.3 0.807 85.3 75.3 -30.2 -56.6 -24.5 14.5 -76.1 220 221 A A H << S+ 0 0 11 -4,-1.0 4,-0.5 -3,-0.7 -1,-0.3 0.772 92.4 58.1 -29.2 -41.1 -28.1 13.7 -75.0 221 222 A F T XX S+ 0 0 0 -3,-3.4 4,-1.1 -4,-0.6 3,-0.9 0.948 108.1 42.6 -58.6 -54.0 -29.0 14.8 -78.5 222 223 A T H X> S+ 0 0 35 -3,-1.6 4,-2.2 -4,-0.4 3,-1.3 0.961 107.7 56.7 -57.2 -61.0 -26.8 12.3 -80.2 223 224 A G H 3< S+ 0 0 54 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.625 113.9 45.1 -50.4 -11.9 -27.7 9.3 -78.0 224 225 A A H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.5 4,-0.3 0.658 111.1 48.3-106.2 -23.0 -31.3 10.0 -79.1 225 226 A Y H > S+ 0 0 12 -4,-0.3 4,-2.2 30,-0.2 3,-1.1 0.761 83.6 91.1 -99.7 -30.9 -34.2 7.1 -84.4 229 230 A E T 3< S+ 0 0 99 -4,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.757 89.1 53.8 -34.2 -40.1 -32.1 6.8 -87.6 230 231 A S T >4 S+ 0 0 94 1,-0.2 3,-1.1 -4,-0.2 -1,-0.3 0.957 111.3 43.6 -63.3 -51.6 -33.7 3.4 -88.0 231 232 A T T <4 S+ 0 0 14 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.865 108.3 59.1 -63.2 -38.2 -37.2 4.9 -87.8 232 233 A L T >< S+ 0 0 17 -4,-2.2 3,-1.1 2,-0.0 -1,-0.3 0.035 75.6 155.9 -81.9 27.7 -36.4 7.8 -90.1 233 234 A S T < S- 0 0 72 -3,-1.1 -3,-0.1 1,-0.3 3,-0.1 -0.369 73.3 -10.1 -60.2 125.4 -35.5 5.5 -92.9 234 235 A G T 3 S+ 0 0 95 -2,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.923 110.6 112.0 48.4 53.7 -35.8 7.3 -96.3 235 236 A L < - 0 0 15 -3,-1.1 -34,-0.2 24,-0.1 -1,-0.1 -0.851 67.3-125.0-157.2 113.8 -37.6 10.3 -94.7 236 237 A N E -d 201 0A 48 -36,-0.9 -34,-1.0 -2,-0.3 2,-0.4 -0.341 23.4-158.2 -64.3 138.6 -36.1 13.8 -94.5 237 238 A V E -d 202 0A 4 22,-0.4 25,-1.1 -36,-0.2 24,-1.1 -0.960 5.3-159.9-120.7 137.9 -36.0 15.3 -91.0 238 239 A L E -de 203 262A 3 -36,-1.7 -34,-2.8 -2,-0.4 2,-0.5 -0.921 6.4-160.4-121.8 103.0 -35.8 19.0 -90.3 239 240 A V E -de 204 263A 0 23,-1.7 25,-1.9 -2,-0.6 -34,-0.3 -0.734 16.2-149.3 -84.8 123.7 -34.5 19.9 -86.9 240 241 A E E +de 205 264A 2 -36,-2.9 -34,-3.0 -2,-0.5 2,-0.3 -0.630 20.2 174.3 -96.8 155.6 -35.4 23.4 -85.9 241 242 A T + 0 0 1 23,-1.2 2,-0.3 -2,-0.2 -33,-0.1 -0.962 11.0 161.0-150.9 150.0 -33.7 26.0 -83.7 242 243 A Y + 0 0 11 -2,-0.3 -32,-0.2 -35,-0.2 85,-0.1 -0.982 40.7 54.5-171.2 162.5 -34.5 29.7 -83.0 243 244 A F S S+ 0 0 5 -2,-0.3 2,-0.3 1,-0.1 359,-0.2 0.566 106.2 21.1 85.2 13.4 -34.1 32.8 -80.8 244 245 A A S S- 0 0 10 22,-0.1 2,-0.4 358,-0.1 22,-0.3 -0.991 86.3 -77.7 177.5 179.7 -30.3 32.8 -81.0 245 246 A D - 0 0 16 24,-0.3 26,-0.1 -2,-0.3 22,-0.0 -0.868 46.1-120.7-103.5 137.1 -27.0 31.7 -82.6 246 247 A I - 0 0 1 -2,-0.4 -36,-0.1 24,-0.2 5,-0.1 -0.688 27.3-119.0 -85.3 121.2 -25.8 28.2 -82.0 247 248 A P > - 0 0 35 0, 0.0 4,-3.2 0, 0.0 5,-0.3 -0.220 30.9-102.7 -57.7 139.7 -22.3 27.8 -80.2 248 249 A A H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.774 122.8 45.7 -27.7 -57.6 -19.5 26.0 -82.2 249 250 A E H >> S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.987 115.6 43.3 -54.7 -67.2 -20.0 22.9 -80.1 250 251 A A H 3> S+ 0 0 4 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.837 114.0 53.6 -47.9 -38.1 -23.8 22.8 -80.3 251 252 A Y H 3X S+ 0 0 16 -4,-3.2 4,-2.3 2,-0.2 -1,-0.3 0.905 111.5 46.0 -63.7 -42.7 -23.5 23.7 -84.0 252 253 A K H < S+ 0 0 2 -4,-1.6 3,-2.8 -5,-0.3 -1,-0.2 0.989 106.5 50.8 -67.3 -65.0 -26.2 19.2 -84.6 255 256 A T H 3< S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.445 115.4 48.8 -58.3 2.2 -24.9 19.3 -88.2 256 257 A S T 3< S+ 0 0 63 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.488 81.5 131.2-118.0 -11.9 -23.6 15.8 -87.5 257 258 A L < - 0 0 9 -3,-2.8 3,-0.5 -4,-0.4 2,-0.2 -0.087 61.6-110.9 -47.7 137.5 -26.8 14.3 -86.0 258 259 A K S S+ 0 0 91 1,-0.2 -30,-0.2 -36,-0.1 -29,-0.1 -0.520 95.5 13.8 -75.0 134.8 -27.9 11.0 -87.4 259 260 A G S S+ 0 0 22 1,-0.2 2,-0.4 -2,-0.2 -22,-0.4 0.013 92.0 121.9 92.7 -28.7 -31.0 10.9 -89.5 260 261 A V + 0 0 6 -3,-0.5 -1,-0.2 1,-0.1 -22,-0.1 -0.574 29.5 172.1 -77.1 125.8 -31.2 14.6 -90.0 261 262 A T + 0 0 28 -24,-1.1 25,-1.2 -2,-0.4 2,-0.3 0.324 67.3 29.1-110.5 2.7 -31.2 15.7 -93.6 262 263 A A E -ef 238 286A 0 -25,-1.1 -23,-1.7 23,-0.2 2,-0.3 -0.945 61.0-161.5-164.9 142.8 -32.0 19.4 -93.1 263 264 A F E -ef 239 287A 2 23,-2.2 25,-2.0 -2,-0.3 2,-0.4 -0.949 5.7-153.4-129.8 146.8 -31.4 22.1 -90.4 264 265 A G E -ef 240 288A 0 -25,-1.9 -23,-1.2 -2,-0.3 2,-0.4 -0.962 9.3-169.6-127.2 123.6 -33.0 25.5 -89.7 265 266 A F E - f 0 289A 4 23,-0.5 2,-2.0 -2,-0.4 25,-1.2 -0.889 31.2-122.8-114.4 138.8 -31.5 28.5 -88.0 266 267 A D >> + 0 0 0 -2,-0.4 4,-1.8 -22,-0.3 3,-0.5 -0.550 36.0 177.9 -72.7 85.3 -33.0 31.7 -86.7 267 268 A L T 34 S+ 0 0 12 -2,-2.0 -1,-0.2 23,-0.5 24,-0.1 0.231 70.1 68.2 -78.9 15.2 -30.7 33.9 -88.8 268 269 A V T 34 S+ 0 0 53 22,-0.3 3,-0.2 -24,-0.1 -1,-0.2 0.801 118.8 17.2 -95.9 -43.0 -32.4 37.0 -87.6 269 270 A R T <4 S+ 0 0 92 -3,-0.5 -24,-0.3 1,-0.2 -2,-0.2 0.472 131.7 49.9-106.0 -7.1 -31.2 36.7 -84.0 270 271 A G >< + 0 0 0 -4,-1.8 3,-0.6 -26,-0.3 4,-0.3 -0.520 56.5 143.3-131.8 66.9 -28.4 34.2 -84.7 271 272 A T T 3 + 0 0 88 -3,-0.2 4,-0.3 1,-0.2 -1,-0.1 0.234 67.8 69.5 -88.2 13.0 -26.4 35.7 -87.6 272 273 A K T >> S+ 0 0 113 2,-0.2 3,-0.7 1,-0.1 4,-0.6 0.634 81.4 73.0 -97.5 -25.6 -23.2 34.4 -86.1 273 274 A T H X> S+ 0 0 0 -3,-0.6 3,-1.1 1,-0.2 4,-0.9 0.824 85.5 68.3 -59.5 -28.0 -24.2 30.9 -86.8 274 275 A L H >> S+ 0 0 27 1,-0.3 4,-3.2 -4,-0.3 3,-1.5 0.924 91.0 59.3 -56.3 -46.4 -23.4 31.7 -90.5 275 276 A D H <> S+ 0 0 90 -3,-0.7 4,-1.2 1,-0.3 -1,-0.3 0.728 102.4 53.4 -55.3 -26.3 -19.7 31.9 -89.7 276 277 A L H - 0 0 46 1,-0.2 4,-2.4 -3,-0.1 -1,-0.2 -0.246 38.4-165.6 -49.4 89.6 -35.7 44.2 -96.1 302 303 A F H > S+ 0 0 18 -2,-1.1 4,-2.1 1,-0.2 5,-0.4 0.939 82.2 55.1 -42.6 -64.2 -36.1 42.2 -99.2 303 304 A A H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 111.0 44.1 -36.2 -61.6 -33.0 43.6 -100.8 304 305 A A H >> S+ 0 0 40 2,-0.2 4,-2.3 3,-0.2 3,-1.8 0.974 114.6 49.9 -49.7 -66.0 -30.9 42.6 -97.8 305 306 A S H >X>S+ 0 0 5 -4,-2.4 4,-3.5 1,-0.3 3,-0.9 0.896 109.3 48.3 -35.9 -77.7 -32.4 39.2 -97.6 306 307 A L H 3X5S+ 0 0 16 -4,-2.1 4,-0.6 1,-0.3 -1,-0.3 0.716 111.9 53.9 -40.5 -27.6 -32.0 38.2 -101.2 307 308 A S H X< S+ 0 0 53 -4,-2.3 3,-0.7 1,-0.3 4,-0.3 0.799 102.2 55.7 -39.1 -36.2 -24.6 34.5 -100.2 312 313 A L H >X S+ 0 0 12 -4,-1.9 3,-2.5 1,-0.2 4,-1.8 0.847 87.6 72.2 -69.8 -36.9 -25.9 31.1 -99.0 313 314 A E H << S+ 0 0 57 -3,-2.1 -1,-0.2 -4,-0.6 -2,-0.2 0.845 94.6 61.1 -47.5 -30.3 -26.3 29.7 -102.5 314 315 A G T << S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.773 99.3 50.6 -68.1 -30.2 -22.5 29.7 -102.3 315 316 A I T <4 S- 0 0 54 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.2 0.862 139.5 -16.4 -76.4 -35.9 -22.4 27.3 -99.3 316 317 A V < + 0 0 16 -4,-1.8 -3,-0.1 -32,-0.1 5,-0.1 0.100 64.9 153.5-130.1-113.3 -24.7 24.9 -101.1 317 318 A G + 0 0 33 -2,-0.1 2,-1.0 1,-0.1 4,-0.1 0.065 38.8 118.6 101.4 -25.5 -26.9 25.6 -104.1 318 319 A K S S- 0 0 140 1,-0.2 -1,-0.1 -5,-0.1 -34,-0.0 0.193 110.9 -70.7 -63.3 24.5 -27.0 22.1 -105.6 319 320 A D S S+ 0 0 147 -2,-1.0 -1,-0.2 -6,-0.1 -35,-0.0 0.587 112.9 107.4 95.6 19.1 -30.8 22.5 -105.0 320 321 A K + 0 0 56 -7,-0.1 -33,-1.5 -34,-0.1 2,-0.5 -0.088 42.6 109.6-119.8 39.2 -30.8 22.4 -101.1 321 322 A L E - g 0 287A 18 -35,-0.2 2,-0.4 -4,-0.1 -33,-0.2 -0.941 43.7-173.6-111.6 131.1 -31.5 26.0 -100.1 322 323 A V E - g 0 288A 3 -35,-3.4 -33,-1.0 -2,-0.5 -320,-0.2 -0.975 19.9-134.6-134.9 126.6 -34.8 26.8 -98.5 323 324 A V E +ag 2 289A 3 -322,-2.3 -320,-2.9 -2,-0.4 2,-0.3 -0.452 36.7 164.7 -71.5 144.0 -36.4 30.1 -97.5 324 325 A S E -ag 3 290A 1 -35,-2.2 -32,-1.0 -322,-0.2 -33,-0.9 -0.962 41.3 -97.5-154.8 166.5 -38.0 30.1 -94.1 325 326 A T E - g 0 292A 0 -322,-0.7 -32,-0.2 -2,-0.3 -34,-0.1 -0.358 38.4-122.5 -78.5 169.1 -39.4 32.4 -91.5 326 327 A S S S- 0 0 1 -34,-2.3 -33,-0.2 -60,-0.1 2,-0.2 0.975 83.4 -12.9 -78.9 -63.5 -36.9 33.0 -88.6 327 328 A C S S- 0 0 0 -35,-0.4 2,-0.5 -85,-0.1 -322,-0.4 -0.314 107.8 -47.4-116.5-157.9 -39.0 31.8 -85.6 328 329 A S > - 0 0 17 -323,-0.2 3,-2.5 -2,-0.2 2,-2.2 -0.672 37.6-136.4 -87.2 127.8 -42.7 31.0 -85.5 329 330 A L T 3 S+ 0 0 0 -323,-0.8 -1,-0.1 -2,-0.5 24,-0.1 -0.005 98.8 81.8 -68.3 36.1 -45.1 33.5 -87.0 330 331 A L T 3 S+ 0 0 11 -2,-2.2 173,-0.5 -323,-0.3 -1,-0.3 0.640 82.8 56.1-104.9 -38.2 -47.0 32.8 -83.9 331 332 A H S < S+ 0 0 17 -3,-2.5 -2,-0.2 -37,-0.4 -216,-0.1 0.515 108.4 57.3 -75.2 -5.5 -45.0 35.1 -81.8 332 333 A T S S- 0 0 1 1,-0.3 -35,-0.1 -4,-0.3 20,-0.1 -0.157 99.4 -88.1-103.5-157.8 -45.9 37.9 -84.3 333 334 A A - 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