==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-FEB-12 4DJA . COMPND 2 MOLECULE: PHOTOLYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR P.SCHEERER,F.ZHANG,I.OBERPICHLER,T.LAMPARTER,N.KRAUSS . 509 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 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 . 2 0.4 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 . 17 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 2 1 2 3 1 0 1 5 3 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 PARALLEL BRIDGES PER LADDER . 1 1 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 . 1 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 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 S 0 0 55 0, 0.0 95,-2.8 0, 0.0 96,-1.0 0.000 360.0 360.0 360.0 159.1 -4.8 24.0 77.0 2 3 A Q E -a 97 0A 23 93,-0.2 25,-2.3 20,-0.2 2,-0.6 -0.848 360.0-146.2-107.8 146.4 -3.1 22.1 74.2 3 4 A L E -ab 98 27A 0 94,-2.4 96,-2.7 -2,-0.4 2,-0.7 -0.966 21.7-161.6-100.9 118.2 -0.1 19.8 74.2 4 5 A V E -ab 99 28A 0 23,-2.9 25,-3.0 -2,-0.6 2,-0.4 -0.894 2.4-159.2-110.1 104.5 1.7 20.4 70.9 5 6 A L E -ab 100 29A 0 94,-2.3 96,-0.7 -2,-0.7 2,-0.4 -0.726 7.4-171.9 -85.8 129.3 4.1 17.6 70.0 6 7 A I - 0 0 1 23,-2.5 25,-0.4 -2,-0.4 2,-0.1 -0.993 13.8-142.5-120.7 126.7 6.8 18.4 67.6 7 8 A L > - 0 0 6 -2,-0.4 3,-2.1 94,-0.1 23,-0.0 -0.389 29.0-100.9 -85.4 165.8 9.0 15.5 66.2 8 9 A G T 3 S+ 0 0 14 1,-0.3 3,-0.2 23,-0.2 -1,-0.1 0.594 121.6 48.0 -64.4 -15.4 12.7 15.7 65.5 9 10 A D T 3 S+ 0 0 20 1,-0.2 -1,-0.3 263,-0.1 -2,-0.0 0.110 99.0 71.6-108.6 21.4 12.3 16.2 61.8 10 11 A Q < + 0 0 1 -3,-2.1 2,-2.3 262,-0.1 262,-0.2 -0.151 55.5 146.0-125.5 36.2 9.7 18.9 62.2 11 12 A L + 0 0 0 260,-2.6 260,-0.1 -3,-0.2 -3,-0.1 -0.380 31.0 115.3 -86.8 62.1 12.0 21.7 63.4 12 13 A S > - 0 0 14 -2,-2.3 3,-1.8 1,-0.1 261,-0.1 -0.998 64.2-139.9-129.2 136.5 10.2 24.7 61.9 13 14 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.577 108.3 51.7 -70.0 -6.0 8.4 27.6 63.7 14 15 A S T 3 S+ 0 0 76 5,-0.0 5,-0.1 3,-0.0 -3,-0.1 0.151 76.4 139.5-113.5 20.0 5.8 27.3 60.9 15 16 A I X - 0 0 0 -3,-1.8 3,-1.9 -5,-0.2 4,-0.3 -0.297 67.0-110.4 -59.1 147.1 5.1 23.6 61.3 16 17 A A G > S+ 0 0 5 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.827 113.6 63.9 -54.8 -38.0 1.4 22.9 61.0 17 18 A A G 3 S+ 0 0 0 1,-0.3 -1,-0.3 109,-0.1 -2,-0.1 0.725 94.3 62.3 -61.7 -22.1 0.9 21.9 64.7 18 19 A L G X S+ 0 0 10 -3,-1.9 3,-1.6 2,-0.1 -1,-0.3 0.607 75.9 113.5 -77.0 -11.9 1.9 25.4 65.7 19 20 A D T < S+ 0 0 69 -3,-2.0 -5,-0.0 -4,-0.3 -3,-0.0 -0.407 88.3 5.9 -60.1 127.7 -1.2 26.9 63.9 20 21 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.648 87.3 159.4 75.4 15.0 -3.5 28.4 66.5 21 22 A V < - 0 0 26 -3,-1.6 2,-0.8 1,-0.1 -1,-0.2 -0.534 38.7-140.6 -71.6 132.3 -1.3 27.9 69.5 22 23 A D >> - 0 0 77 -2,-0.2 4,-3.1 1,-0.1 3,-0.5 -0.888 13.2-157.7 -88.2 107.1 -2.1 30.1 72.6 23 24 A K T 34 S+ 0 0 80 -2,-0.8 44,-0.4 1,-0.2 -1,-0.1 0.757 88.4 50.2 -61.8 -26.4 1.4 30.9 73.7 24 25 A K T 34 S+ 0 0 166 1,-0.1 -1,-0.2 42,-0.1 -3,-0.0 0.800 124.0 25.7 -80.1 -31.5 0.2 31.7 77.3 25 26 A Q T <4 S+ 0 0 109 -3,-0.5 -2,-0.2 42,-0.0 2,-0.2 0.749 106.7 75.3-105.1 -31.5 -1.8 28.5 77.8 26 27 A D < - 0 0 8 -4,-3.1 41,-0.6 -25,-0.1 2,-0.4 -0.494 60.1-148.4 -93.5 156.4 -0.3 25.8 75.5 27 28 A T E -bc 3 67A 9 -25,-2.3 -23,-2.9 -2,-0.2 2,-0.4 -0.985 6.7-142.8-127.7 131.7 2.9 23.8 75.9 28 29 A I E -bc 4 68A 0 39,-2.8 41,-3.3 -2,-0.4 2,-0.5 -0.760 17.6-154.9 -87.4 134.6 5.2 22.4 73.1 29 30 A V E +bc 5 69A 0 -25,-3.0 -23,-2.5 -2,-0.4 2,-0.3 -0.960 17.8 170.4-114.0 128.9 6.7 19.0 73.8 30 31 A L E - c 0 70A 0 39,-2.0 41,-2.3 -2,-0.5 2,-0.4 -0.987 12.0-173.8-127.4 144.1 10.0 17.8 72.2 31 32 A C E - c 0 71A 6 -25,-0.4 2,-0.7 -2,-0.3 -23,-0.2 -0.969 26.6-149.2-149.2 127.6 11.7 14.6 73.3 32 33 A E + 0 0 2 39,-3.0 2,-0.4 -2,-0.4 48,-0.2 -0.837 38.0 177.8 -85.5 117.2 14.9 12.7 72.7 33 34 A V >> - 0 0 2 -2,-0.7 4,-1.8 1,-0.1 3,-0.8 -0.973 40.4-129.4-134.9 142.4 13.9 9.1 73.2 34 35 A M H 3> S+ 0 0 80 -2,-0.4 4,-1.1 1,-0.3 5,-0.2 0.814 105.2 62.7 -58.8 -33.9 15.6 5.7 72.9 35 36 A A H 3> S+ 0 0 39 45,-2.2 4,-0.9 1,-0.2 3,-0.3 0.907 111.3 38.6 -57.8 -41.2 12.9 4.2 70.7 36 37 A E H <4 S+ 0 0 34 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.804 116.1 51.0 -79.9 -28.9 13.6 6.8 68.0 37 38 A A H < S+ 0 0 5 -4,-1.8 5,-0.4 1,-0.2 -1,-0.2 0.545 120.9 35.2 -82.4 -6.2 17.4 6.7 68.6 38 39 A S H < S+ 0 0 56 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.431 77.4 100.3-127.0 -6.3 17.4 2.9 68.3 39 40 A Y S < S+ 0 0 51 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.1 0.871 109.4 6.6 -57.6 -33.7 14.8 1.7 65.8 40 41 A V S S- 0 0 8 -4,-0.3 2,-1.8 349,-0.1 -1,-0.1 -0.895 96.4 -97.7-129.3 168.0 17.9 1.5 63.5 41 42 A G - 0 0 20 -2,-0.3 175,-0.5 345,-0.1 -3,-0.1 -0.523 51.1-157.3 -84.3 72.8 21.5 1.9 64.5 42 43 A H - 0 0 10 -2,-1.8 349,-0.2 -5,-0.4 348,-0.1 -0.121 25.7 -93.1 -54.6 144.5 21.8 5.5 63.3 43 44 A H >> - 0 0 0 347,-3.0 4,-2.2 1,-0.1 3,-0.6 -0.230 35.6-119.3 -49.2 136.9 25.2 7.0 62.5 44 45 A K H 3> S+ 0 0 22 172,-2.4 4,-2.2 1,-0.2 5,-0.2 0.874 115.4 50.0 -50.1 -42.2 26.7 8.7 65.5 45 46 A K H 3> S+ 0 0 7 173,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.808 106.9 55.4 -70.2 -30.4 26.8 12.0 63.6 46 47 A K H <> S+ 0 0 1 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.932 109.7 45.3 -65.1 -45.5 23.2 11.6 62.6 47 48 A I H X S+ 0 0 6 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.936 115.4 47.5 -62.8 -44.9 22.1 11.2 66.3 48 49 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.908 112.1 50.2 -64.3 -39.8 24.2 14.1 67.3 49 50 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.948 114.1 43.7 -60.8 -49.4 22.9 16.3 64.5 50 51 A I H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.947 115.8 46.2 -66.1 -48.8 19.3 15.5 65.3 51 52 A F H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.927 116.1 46.0 -62.2 -42.7 19.6 15.9 69.1 52 53 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.927 112.5 49.6 -66.6 -40.3 21.5 19.2 68.7 53 54 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 112.4 49.7 -62.5 -41.3 19.1 20.5 66.1 54 55 A M H X S+ 0 0 6 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.914 111.0 48.2 -59.3 -47.0 16.3 19.6 68.5 55 56 A R H X S+ 0 0 19 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.905 113.3 47.0 -65.7 -41.7 17.9 21.3 71.5 56 57 A H H X S+ 0 0 24 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.898 111.3 52.8 -64.4 -38.7 18.6 24.5 69.5 57 58 A F H X S+ 0 0 2 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.908 105.3 53.9 -63.8 -40.8 15.0 24.5 68.2 58 59 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.923 111.3 45.7 -58.4 -43.5 13.6 24.2 71.7 59 60 A E H X S+ 0 0 108 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.890 110.1 54.8 -67.6 -36.3 15.6 27.3 72.6 60 61 A E H X S+ 0 0 53 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.928 109.4 47.2 -60.1 -45.1 14.5 29.0 69.4 61 62 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-0.5 0.917 109.3 52.5 -66.8 -41.4 10.9 28.4 70.3 62 63 A R H ><5S+ 0 0 98 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.921 107.3 53.7 -58.7 -39.4 11.3 29.7 73.9 63 64 A G H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.0 55.6 -63.4 -30.6 12.9 32.9 72.4 64 65 A E T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.527 129.6 -99.4 -75.7 -8.9 9.7 33.2 70.2 65 66 A G T < 5S+ 0 0 45 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.2 0.543 76.2 138.5 101.3 9.5 7.7 33.2 73.5 66 67 A Y < - 0 0 30 -5,-2.2 2,-0.5 -39,-0.0 -1,-0.3 -0.612 54.3-123.7 -83.3 148.7 6.5 29.5 73.6 67 68 A R E -c 27 0A 120 -41,-0.6 -39,-2.8 -44,-0.4 2,-0.4 -0.792 35.8-168.4 -83.3 128.0 6.4 27.3 76.7 68 69 A V E -c 28 0A 17 -2,-0.5 2,-0.7 -41,-0.2 -39,-0.2 -0.988 21.9-160.1-128.4 128.0 8.5 24.2 75.9 69 70 A R E -c 29 0A 47 -41,-3.3 -39,-2.0 -2,-0.4 2,-0.5 -0.941 23.8-171.2-100.2 113.5 8.8 20.9 77.8 70 71 A Y E -c 30 0A 34 -2,-0.7 2,-0.6 -41,-0.2 -39,-0.2 -0.937 12.4-160.7-113.5 127.5 12.0 19.3 76.6 71 72 A T E -c 31 0A 4 -41,-2.3 -39,-3.0 -2,-0.5 2,-0.2 -0.916 10.9-152.6-107.0 118.8 13.1 15.8 77.4 72 73 A R > - 0 0 66 -2,-0.6 3,-1.7 -41,-0.2 6,-0.1 -0.567 26.4-116.6 -84.1 153.8 16.8 15.0 76.9 73 74 A I T 3 S+ 0 0 15 1,-0.3 -39,-0.1 -2,-0.2 -1,-0.1 0.789 116.7 48.8 -56.9 -28.2 18.1 11.5 76.2 74 75 A D T 3 S+ 0 0 57 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.359 80.7 125.0 -98.5 3.8 19.9 11.5 79.5 75 76 A D X - 0 0 60 -3,-1.7 3,-1.3 1,-0.1 -4,-0.0 -0.393 65.3-127.4 -67.2 139.5 17.0 12.7 81.7 76 77 A A T 3 S+ 0 0 100 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.850 104.7 38.8 -57.6 -40.1 16.2 10.5 84.7 77 78 A D T 3 S+ 0 0 120 2,-0.0 -1,-0.2 3,-0.0 -2,-0.1 0.239 75.8 148.0-103.2 20.0 12.5 10.1 84.0 78 79 A N < - 0 0 34 -3,-1.3 -45,-0.0 1,-0.2 7,-0.0 -0.296 41.9-148.1 -49.6 121.0 12.7 9.9 80.2 79 80 A A - 0 0 43 2,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.507 26.6-126.8 -83.9 -5.6 9.8 7.6 79.3 80 81 A G S S+ 0 0 27 -48,-0.2 -45,-2.2 4,-0.1 2,-0.3 0.251 75.7 46.1 92.9 -13.1 11.6 6.1 76.3 81 82 A S S > S- 0 0 30 -47,-0.2 4,-2.5 -46,-0.1 5,-0.2 -0.965 87.2-102.9-152.2 163.9 9.1 6.6 73.5 82 83 A F H > S+ 0 0 12 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.934 123.1 50.0 -56.4 -45.1 6.8 9.2 72.0 83 84 A T H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 111.7 47.1 -60.3 -47.3 3.8 7.5 73.7 84 85 A G H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 114.8 46.5 -61.8 -41.3 5.6 7.3 77.1 85 86 A E H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.865 110.8 50.5 -72.7 -37.5 6.6 11.0 76.9 86 87 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.918 110.2 51.7 -65.1 -42.2 3.2 12.2 75.8 87 88 A K H X S+ 0 0 97 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.929 110.9 47.7 -56.7 -46.7 1.7 10.3 78.8 88 89 A R H X S+ 0 0 74 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.921 113.0 48.7 -59.8 -45.7 4.2 12.0 81.1 89 90 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.847 108.7 53.0 -65.8 -34.9 3.3 15.3 79.6 90 91 A I H X S+ 0 0 25 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.948 109.5 48.5 -62.9 -47.6 -0.4 14.8 79.9 91 92 A D H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.870 117.8 42.9 -60.5 -35.4 -0.0 13.9 83.6 92 93 A D H < S+ 0 0 95 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.953 128.5 24.1 -71.0 -50.8 2.1 17.1 84.0 93 94 A L H < S- 0 0 30 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.583 82.9-145.0-101.6 -16.5 0.0 19.5 81.9 94 95 A T < - 0 0 113 -4,-3.0 -4,-0.1 -5,-0.3 -3,-0.1 0.917 30.6-171.1 41.7 61.2 -3.5 18.1 81.9 95 96 A P - 0 0 15 0, 0.0 -93,-0.2 0, 0.0 -1,-0.1 -0.332 30.2-145.3 -76.2 159.9 -4.3 19.2 78.3 96 97 A S S S+ 0 0 82 -95,-2.8 26,-0.7 1,-0.2 2,-0.3 0.524 84.2 21.0 -95.4 -11.4 -7.7 19.1 76.7 97 98 A R E -ad 2 122A 88 -96,-1.0 -94,-2.4 24,-0.1 2,-0.4 -0.990 62.7-142.6-152.7 149.9 -6.2 18.3 73.3 98 99 A I E -ad 3 123A 0 24,-2.4 26,-3.2 -2,-0.3 2,-0.4 -0.964 18.4-167.5-112.4 133.4 -3.0 17.0 71.6 99 100 A C E +ad 4 124A 0 -96,-2.7 -94,-2.3 -2,-0.4 2,-0.3 -0.986 15.9 159.1-118.7 132.8 -1.9 18.6 68.4 100 101 A V E -ad 5 125A 1 24,-2.3 26,-2.7 -2,-0.4 2,-0.3 -0.995 38.0-118.9-150.9 146.3 0.8 17.0 66.2 101 102 A T E - d 0 126A 0 -96,-0.7 26,-0.2 -2,-0.3 -94,-0.1 -0.700 48.1 -93.6 -84.9 139.9 1.9 17.2 62.6 102 103 A E - 0 0 27 24,-3.0 -1,-0.1 -2,-0.3 -86,-0.1 -0.163 48.9-122.9 -52.7 144.0 1.7 13.9 60.7 103 104 A P - 0 0 9 0, 0.0 25,-0.1 0, 0.0 -1,-0.1 -0.205 6.2-119.9 -89.6-179.9 5.1 12.0 60.7 104 105 A G S S+ 0 0 11 -2,-0.0 294,-1.2 1,-0.0 2,-0.3 0.178 86.0 57.6-107.1 13.3 7.4 10.7 58.0 105 106 A E S > S- 0 0 9 292,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.998 73.3-129.3-145.0 144.0 7.4 7.0 58.8 106 107 A W H > S+ 0 0 40 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.887 109.8 56.3 -51.6 -43.4 4.8 4.2 59.0 107 108 A R H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 110.9 42.6 -60.8 -43.7 6.1 3.1 62.4 108 109 A V H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.888 111.2 55.0 -72.7 -39.8 5.7 6.6 63.8 109 110 A R H X S+ 0 0 93 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.930 107.3 51.2 -55.2 -47.2 2.3 7.1 62.2 110 111 A S H X S+ 0 0 78 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.930 111.5 47.3 -57.0 -46.0 1.1 3.8 63.8 111 112 A E H >< S+ 0 0 42 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.939 113.0 48.1 -61.2 -47.8 2.3 5.0 67.3 112 113 A M H >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.3 4,-0.4 0.868 105.1 59.1 -60.7 -38.8 0.6 8.4 66.8 113 114 A D H 3< S+ 0 0 93 -4,-2.6 4,-0.4 1,-0.3 -1,-0.3 0.667 100.2 59.4 -66.8 -17.9 -2.7 6.9 65.7 114 115 A G T S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.3 5,-0.4 0.910 84.2 55.2 -58.7 -47.9 -2.7 8.3 71.2 116 117 A A H > S+ 0 0 48 -4,-0.4 4,-2.0 1,-0.2 5,-0.5 0.935 115.4 37.8 -55.0 -49.8 -6.5 9.0 71.0 117 118 A G H 4 S+ 0 0 74 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 116.0 53.0 -69.5 -41.6 -7.4 5.5 72.4 118 119 A A H < S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 124.3 23.6 -59.8 -41.4 -4.5 5.4 74.9 119 120 A F H < S- 0 0 42 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.581 90.2-132.2-110.0 -13.4 -5.2 8.7 76.5 120 121 A G < + 0 0 75 -4,-2.0 2,-0.3 -5,-0.4 -3,-0.1 0.755 68.4 122.6 66.6 25.6 -9.0 9.3 75.9 121 122 A I S S- 0 0 22 -5,-0.5 -1,-0.3 -6,-0.4 -2,-0.2 -0.863 74.2 -95.1-118.3 147.6 -8.1 12.9 74.7 122 123 A Q E -d 97 0A 103 -26,-0.7 -24,-2.4 -2,-0.3 2,-0.5 -0.450 39.4-161.3 -61.8 134.9 -8.8 14.5 71.4 123 124 A V E -d 98 0A 31 -26,-0.2 2,-0.8 -2,-0.1 -24,-0.2 -0.984 5.7-162.8-125.3 116.9 -5.8 14.2 69.0 124 125 A D E -d 99 0A 44 -26,-3.2 -24,-2.3 -2,-0.5 2,-0.7 -0.882 6.1-168.9-103.7 103.6 -5.5 16.5 66.1 125 126 A I E -d 100 0A 59 -2,-0.8 2,-0.3 -26,-0.2 -24,-0.2 -0.873 15.8-151.5 -97.1 116.9 -3.1 15.1 63.5 126 127 A R E -d 101 0A 45 -26,-2.7 -24,-3.0 -2,-0.7 -109,-0.1 -0.671 16.8-107.7 -99.1 143.3 -2.3 17.8 60.9 127 128 A S - 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0 0 14 1,-0.1 -1,-0.3 -269,-0.0 -2,-0.0 -0.339 52.1-127.0 -80.1 165.6 12.7 3.7 37.0 419 422 A K - 0 0 107 -2,-0.1 -9,-0.1 1,-0.1 -5,-0.1 -0.763 42.1 -76.8-110.1 158.8 14.8 1.2 35.0 420 423 A P - 0 0 2 0, 0.0 -12,-0.1 0, 0.0 -11,-0.1 -0.356 37.3-157.3 -61.7 133.2 17.4 -1.2 36.3 421 424 A Y + 0 0 67 -13,-0.4 -49,-0.1 -14,-0.3 -12,-0.0 0.173 34.6 148.9 -98.5 15.9 20.6 0.7 37.1 422 425 A A + 0 0 14 -47,-0.1 2,-0.3 35,-0.0 -54,-0.1 -0.221 19.5 169.6 -51.6 133.9 23.1 -2.3 36.9 423 426 A A - 0 0 11 -55,-0.1 2,-0.1 -51,-0.1 -47,-0.1 -0.992 23.3-136.7-149.8 153.0 26.5 -1.2 35.7 424 427 A S >> - 0 0 26 -2,-0.3 4,-1.3 33,-0.1 3,-0.8 -0.286 45.4 -82.3 -96.9-174.6 30.0 -2.7 35.4 425 428 A G H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.760 123.2 71.2 -59.9 -26.3 33.5 -1.3 36.1 426 429 A N H 3> S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 99.9 45.5 -55.5 -45.5 33.3 0.3 32.7 427 430 A Y H <> S+ 0 0 31 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.931 114.0 46.9 -62.3 -50.2 30.7 2.8 34.0 428 431 A I H X S+ 0 0 4 -4,-1.3 4,-1.6 1,-0.2 6,-0.3 0.894 111.5 51.9 -65.8 -37.0 32.6 3.5 37.3 429 432 A N H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.6 45.9 -65.5 -35.6 35.9 4.0 35.3 430 433 A R H < S+ 0 0 130 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.907 120.6 36.7 -71.6 -42.3 34.2 6.5 33.0 431 434 A M H < S+ 0 0 2 -4,-2.4 -178,-2.0 -5,-0.1 -248,-0.3 0.525 121.1 32.7 -94.3 -9.1 32.4 8.5 35.6 432 435 A S B < -f 253 0C 11 -4,-1.6 -178,-0.2 -180,-0.2 3,-0.2 -0.873 64.0-131.7-136.6 169.4 35.0 8.5 38.4 433 436 A D S > S+ 0 0 30 -180,-0.6 3,-0.7 -2,-0.3 4,-0.4 0.129 77.3 108.1-104.0 17.5 38.8 8.4 39.0 434 437 A Y G > S+ 0 0 1 -6,-0.3 3,-1.0 1,-0.2 4,-0.2 0.850 71.9 57.0 -63.7 -34.4 38.4 5.6 41.6 435 438 A C G > S+ 0 0 25 1,-0.2 3,-1.5 -7,-0.2 -1,-0.2 0.785 87.8 79.0 -69.6 -23.9 40.0 3.0 39.3 436 439 A D G < S+ 0 0 115 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.8 25.1 -55.2 -32.8 43.1 5.1 38.9 437 440 A T G < S+ 0 0 98 -3,-1.0 -1,-0.3 -4,-0.4 2,-0.2 0.207 99.0 114.8-117.2 14.2 44.4 3.9 42.3 438 441 A C < - 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0 0 14 -10,-1.7 3,-1.6 -7,-1.0 4,-0.6 -0.476 27.0-135.3 -55.5 123.9 37.3 -5.6 38.6 452 455 A P H 3> S+ 0 0 12 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.795 99.6 65.3 -56.5 -29.8 34.7 -7.5 40.7 453 456 A F H 3> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.757 92.0 66.4 -63.6 -26.1 31.8 -5.5 39.2 454 457 A N H <> S+ 0 0 13 -3,-1.6 4,-1.4 -10,-0.2 -1,-0.2 0.966 108.4 30.1 -67.8 -56.8 32.5 -6.9 35.7 455 458 A A H X S+ 0 0 4 -4,-0.6 4,-2.7 -10,-0.3 41,-0.2 0.867 118.5 59.3 -69.1 -33.1 31.6 -10.6 36.1 456 459 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.878 101.1 55.0 -60.1 -40.0 29.0 -9.7 38.7 457 460 A Y H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.951 111.9 42.7 -58.7 -50.8 27.2 -7.5 36.2 458 461 A W H X S+ 0 0 29 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.898 113.5 52.1 -63.5 -39.7 26.9 -10.4 33.8 459 462 A D H X S+ 0 0 11 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.896 107.6 52.5 -64.1 -40.4 26.0 -12.8 36.5 460 463 A F H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.927 113.0 44.3 -57.0 -48.5 23.2 -10.5 37.7 461 464 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 115.8 47.9 -65.4 -40.8 21.8 -10.3 34.2 462 465 A A H >< S+ 0 0 15 -4,-2.7 3,-1.5 1,-0.2 4,-0.2 0.958 112.9 45.5 -67.2 -49.0 22.1 -14.1 33.7 463 466 A R H 3< S+ 0 0 71 -4,-3.1 3,-0.2 1,-0.3 -1,-0.2 0.817 120.7 39.9 -65.2 -31.6 20.6 -15.2 37.0 464 467 A N T >X S+ 0 0 18 -4,-1.7 4,-1.8 -5,-0.3 3,-0.5 0.167 80.4 119.1-101.2 20.1 17.7 -12.7 36.6 465 468 A R H <> + 0 0 101 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.854 68.8 55.7 -59.0 -40.9 17.1 -13.2 32.9 466 469 A E H 34 S+ 0 0 135 -4,-0.2 -1,-0.2 -3,-0.2 4,-0.2 0.902 115.6 38.5 -62.6 -37.8 13.5 -14.5 33.0 467 470 A K H <4 S+ 0 0 95 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.759 127.1 34.2 -80.1 -24.0 12.4 -11.5 34.9 468 471 A L H >< S+ 0 0 1 -4,-1.8 3,-2.0 -7,-0.2 6,-0.2 0.559 86.2 92.8-108.8 -12.6 14.5 -8.9 33.0 469 472 A K T 3< S+ 0 0 102 -4,-2.5 -1,-0.1 1,-0.3 -3,-0.1 0.755 88.0 52.2 -60.5 -26.3 14.8 -10.1 29.4 470 473 A S T 3 S+ 0 0 114 -4,-0.2 2,-0.5 -5,-0.2 -1,-0.3 0.530 82.1 113.8 -86.2 -7.2 11.7 -8.0 28.4 471 474 A N X - 0 0 34 -3,-2.0 3,-1.1 1,-0.1 4,-0.2 -0.540 60.9-148.2 -71.6 118.5 13.2 -4.8 29.9 472 475 A H G > S+ 0 0 166 -2,-0.5 3,-1.5 1,-0.3 4,-0.4 0.830 94.6 58.2 -56.2 -39.2 14.0 -2.3 27.1 473 476 A R G 3 S+ 0 0 102 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.836 108.8 47.7 -61.9 -29.0 17.0 -0.8 28.8 474 477 A L G <> S+ 0 0 5 -3,-1.1 4,-2.3 -6,-0.2 -1,-0.3 0.328 80.5 102.1 -96.7 8.6 18.6 -4.2 29.0 475 478 A A H <> S+ 0 0 51 -3,-1.5 4,-2.0 -4,-0.2 -1,-0.2 0.918 83.9 44.3 -58.3 -49.6 18.1 -5.2 25.3 476 479 A Q H > S+ 0 0 159 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.937 112.9 50.4 -65.7 -47.0 21.6 -4.5 24.2 477 480 A P H > S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.922 112.0 48.6 -57.6 -41.9 23.3 -6.2 27.2 478 481 A Y H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.875 110.6 50.5 -66.2 -34.1 21.2 -9.3 26.7 479 482 A A H X S+ 0 0 38 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.893 110.6 50.0 -67.4 -39.1 22.0 -9.4 23.0 480 483 A T H >< S+ 0 0 56 -4,-2.5 3,-0.5 2,-0.2 4,-0.5 0.921 110.2 50.5 -62.3 -46.8 25.7 -9.1 23.8 481 484 A W H >< S+ 0 0 24 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.910 106.8 54.6 -56.3 -45.4 25.3 -12.0 26.3 482 485 A A H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 105.6 52.9 -63.8 -25.7 23.6 -14.1 23.7 483 486 A R T << S+ 0 0 190 -4,-1.1 -1,-0.3 -3,-0.5 2,-0.2 0.498 88.3 100.1 -89.0 -6.1 26.6 -13.6 21.3 484 487 A M S < S- 0 0 19 -3,-1.3 -3,-0.0 -4,-0.5 0, 0.0 -0.576 81.7-109.2 -74.8 143.5 29.1 -14.8 23.9 485 488 A S > - 0 0 51 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.263 28.0-106.2 -69.9 162.4 30.2 -18.4 23.6 486 489 A E H > S+ 0 0 156 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.891 120.7 48.7 -54.1 -44.1 29.2 -21.0 26.0 487 490 A D H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.859 109.2 51.8 -68.6 -34.5 32.6 -21.1 27.6 488 491 A V H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.944 112.6 46.0 -65.6 -47.2 32.8 -17.3 28.0 489 492 A R H X S+ 0 0 75 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.934 113.6 49.6 -59.0 -47.2 29.4 -17.3 29.7 490 493 A H H X S+ 0 0 122 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.3 48.5 -58.4 -47.1 30.4 -20.2 31.9 491 494 A D H X S+ 0 0 64 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.878 110.2 50.9 -67.4 -35.6 33.7 -18.5 32.9 492 495 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.929 111.7 47.4 -65.4 -44.9 32.0 -15.2 33.8 493 496 A R H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.891 112.2 50.5 -65.6 -35.0 29.4 -16.9 35.9 494 497 A A H X S+ 0 0 47 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.876 109.0 51.3 -67.6 -39.5 32.1 -18.9 37.7 495 498 A K H X S+ 0 0 59 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.930 112.2 46.5 -63.8 -44.1 34.2 -15.8 38.3 496 499 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.915 110.2 54.4 -61.5 -42.9 31.1 -14.1 39.9 497 500 A A H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.872 104.8 53.5 -60.6 -39.2 30.4 -17.2 41.9 498 501 A A H X S+ 0 0 58 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.907 111.1 46.3 -62.1 -41.6 34.0 -17.1 43.4 499 502 A F H X S+ 0 0 33 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.930 112.0 49.5 -66.5 -44.5 33.4 -13.6 44.5 500 503 A L H X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.856 107.8 56.0 -63.9 -34.1 30.0 -14.3 46.0 501 504 A R H X S+ 0 0 159 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.896 104.2 53.0 -61.7 -42.7 31.6 -17.3 47.8 502 505 A K H X S+ 0 0 135 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.937 111.6 46.6 -56.1 -45.3 34.1 -14.9 49.4 503 506 A L H X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.948 114.0 46.8 -61.5 -48.1 31.1 -12.8 50.6 504 507 A D H X S+ 0 0 65 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.860 112.4 49.5 -65.1 -38.9 29.3 -15.8 51.9 505 508 A A H X S+ 0 0 22 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.867 112.3 48.8 -65.9 -37.4 32.4 -17.2 53.7 506 509 A A H X S+ 0 0 38 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.856 108.7 53.2 -72.0 -33.8 33.0 -13.8 55.3 507 510 A A H < S+ 0 0 33 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.831 98.8 64.4 -68.9 -36.2 29.4 -13.5 56.4 508 511 A L H < S+ 0 0 131 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.924 105.6 42.7 -55.0 -49.3 29.4 -16.9 58.1 509 512 A E H < 0 0 161 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.660 360.0 360.0 -76.0 -16.8 32.1 -15.8 60.7 510 513 A H < 0 0 152 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.2 0.817 360.0 360.0 -95.4 360.0 30.3 -12.4 61.2