==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-NOV-08 2W3Q . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOCOCCUS NEOFORMANS; . AUTHOR C.SCHLICKER,R.A.HALL,D.VULLO,S.MIDDELHAUFE,M.GERTZ, . 229 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 2 0 1 1 2 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 -3 A P 0 0 159 0, 0.0 2,-1.9 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 147.1 4.0 -29.6 55.5 2 -2 A L - 0 0 158 2,-0.1 3,-0.2 0, 0.0 2,-0.1 -0.556 360.0 -41.4 -73.9 76.4 1.5 -30.6 52.9 3 -1 A G S S- 0 0 55 -2,-1.9 0, 0.0 1,-0.2 0, 0.0 -0.327 88.0 -63.0 86.3-176.7 3.8 -30.1 49.9 4 0 A S S S+ 0 0 112 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.740 129.4 24.8 -83.9 -26.5 6.2 -27.2 49.4 5 1 A M > + 0 0 128 -3,-0.2 3,-1.4 1,-0.1 -1,-0.2 -0.376 69.5 148.4-132.8 55.2 3.8 -24.2 49.3 6 2 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.599 79.5 35.5 -71.7 -10.3 0.7 -25.4 51.2 7 3 A F T 3 S+ 0 0 196 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.137 81.6 136.2-126.2 14.5 -0.2 -21.9 52.5 8 4 A H < - 0 0 140 -3,-1.4 2,-0.3 1,-0.0 -3,-0.1 -0.548 46.4-138.9 -74.0 126.9 0.8 -19.7 49.5 9 5 A A - 0 0 81 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.635 7.4-148.8 -84.3 140.6 -1.7 -17.1 48.7 10 6 A E - 0 0 176 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.888 26.6-110.1-100.7 143.9 -2.7 -16.3 45.1 11 7 A P - 0 0 120 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.223 42.0 -95.2 -64.0 156.5 -3.7 -12.7 44.2 12 8 A L - 0 0 107 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.456 53.1 -89.9 -65.5 150.5 -7.3 -12.2 43.4 13 9 A K >> - 0 0 138 1,-0.1 4,-2.3 -3,-0.1 3,-0.8 -0.324 32.4-121.1 -57.6 142.3 -7.9 -12.3 39.6 14 10 A P H 3> S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.880 112.7 56.0 -50.9 -40.7 -7.6 -8.8 38.0 15 11 A S H 3> S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 108.7 47.3 -64.4 -32.5 -11.2 -9.1 36.7 16 12 A D H <> S+ 0 0 73 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.897 112.3 49.1 -73.7 -40.5 -12.5 -9.6 40.3 17 13 A E H X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 112.3 48.3 -63.8 -40.8 -10.4 -6.7 41.6 18 14 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.921 108.4 53.9 -68.7 -39.6 -11.6 -4.4 38.8 19 15 A D H < S+ 0 0 67 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.907 111.0 46.4 -58.3 -44.2 -15.2 -5.4 39.4 20 16 A M H >< S+ 0 0 116 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.932 110.3 53.3 -66.4 -41.7 -14.9 -4.5 43.0 21 17 A D H >< S+ 0 0 71 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.832 108.1 50.8 -58.7 -32.3 -13.1 -1.2 42.2 22 18 A L G >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -1,-0.3 0.472 81.8 94.1 -87.2 0.0 -16.0 -0.3 39.9 23 19 A G G < S+ 0 0 47 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.799 75.1 66.9 -57.2 -28.0 -18.6 -1.0 42.6 24 20 A H G < S+ 0 0 134 -3,-0.7 2,-0.7 -4,-0.4 -1,-0.3 0.810 85.2 85.4 -64.5 -26.2 -18.3 2.7 43.4 25 21 A S <> - 0 0 19 -3,-1.7 4,-0.8 1,-0.2 -1,-0.1 -0.691 55.5-171.5 -86.7 114.4 -19.9 3.5 40.1 26 22 A V H >> S+ 0 0 119 -2,-0.7 3,-1.1 1,-0.2 4,-0.7 0.946 91.0 50.0 -61.9 -55.0 -23.8 3.5 40.0 27 23 A A H >> S+ 0 0 39 1,-0.3 4,-2.2 2,-0.2 3,-1.0 0.831 101.6 60.6 -62.5 -35.2 -23.8 3.8 36.2 28 24 A A H 34 S+ 0 0 1 1,-0.3 7,-0.3 2,-0.2 -1,-0.3 0.817 104.5 51.4 -60.5 -27.3 -21.3 1.0 35.7 29 25 A Q H << S+ 0 0 99 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.746 115.9 41.3 -78.5 -20.7 -23.8 -1.3 37.3 30 26 A K H << S+ 0 0 107 -3,-1.0 2,-0.5 -4,-0.7 -2,-0.2 0.705 113.9 46.2 -95.9 -32.6 -26.6 -0.1 35.0 31 27 A F >X - 0 0 101 -4,-2.2 4,-2.4 1,-0.1 3,-0.8 -0.956 56.7-160.5-125.2 112.0 -24.9 0.2 31.6 32 28 A K H 3> S+ 0 0 116 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.847 96.6 58.2 -54.2 -39.2 -22.6 -2.5 30.2 33 29 A E H 3> S+ 0 0 116 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.805 107.7 46.2 -66.0 -29.1 -21.1 0.1 27.8 34 30 A I H <> S+ 0 0 63 -3,-0.8 4,-2.4 -7,-0.2 5,-0.3 0.898 110.5 51.2 -78.1 -41.7 -20.1 2.2 30.7 35 31 A R H X S+ 0 0 36 -4,-2.4 4,-2.8 -7,-0.3 -2,-0.2 0.924 108.8 55.3 -56.1 -44.4 -18.6 -0.7 32.7 36 32 A E H X S+ 0 0 113 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.899 108.6 44.1 -55.1 -50.3 -16.7 -1.6 29.5 37 33 A V H X S+ 0 0 94 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.869 114.7 49.7 -69.7 -33.5 -15.0 1.8 29.1 38 34 A L H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 109.7 51.5 -70.3 -35.6 -14.2 2.0 32.8 39 35 A E H X S+ 0 0 47 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.903 106.0 56.0 -62.4 -39.4 -12.7 -1.5 32.7 40 36 A G H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 109.1 46.9 -55.1 -47.8 -10.6 -0.4 29.8 41 37 A N H X S+ 0 0 67 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.932 109.5 52.1 -61.8 -44.1 -9.2 2.3 31.9 42 38 A R H X S+ 0 0 64 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 110.2 48.2 -65.7 -39.7 -8.6 0.1 34.9 43 39 A Y H X S+ 0 0 112 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.921 114.1 48.0 -64.1 -39.5 -6.6 -2.4 32.8 44 40 A W H X S+ 0 0 127 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.940 112.5 48.2 -61.3 -48.3 -4.6 0.5 31.3 45 41 A A H X S+ 0 0 28 -4,-3.2 4,-2.1 1,-0.2 5,-0.3 0.874 110.4 51.4 -60.8 -40.3 -4.0 2.1 34.7 46 42 A R H X S+ 0 0 78 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.909 113.0 45.9 -65.9 -41.2 -2.8 -1.3 36.2 47 43 A K H X S+ 0 0 131 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.914 114.5 45.0 -65.9 -48.1 -0.4 -1.8 33.3 48 44 A V H X S+ 0 0 21 -4,-2.8 4,-2.7 1,-0.2 8,-0.3 0.884 113.9 48.3 -70.1 -34.7 1.1 1.7 33.2 49 45 A T H < S+ 0 0 72 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.800 115.9 43.5 -79.3 -22.2 1.6 2.0 36.9 50 46 A S H < S+ 0 0 85 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.854 127.1 30.6 -87.6 -27.1 3.2 -1.4 37.2 51 47 A E H < S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.675 133.7 23.1-102.8 -18.9 5.4 -1.0 34.2 52 48 A E X + 0 0 99 -4,-2.7 4,-1.8 -5,-0.3 3,-0.3 -0.261 64.0 146.2-137.9 55.9 6.1 2.8 34.1 53 49 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.852 74.6 60.2 -64.9 -29.8 5.6 4.3 37.5 54 50 A E H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.937 105.2 49.6 -59.5 -40.6 8.4 6.8 37.0 55 51 A F H > S+ 0 0 37 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.926 110.1 49.2 -68.9 -41.1 6.4 8.2 34.1 56 52 A M H X S+ 0 0 56 -4,-1.8 4,-1.8 -8,-0.3 -1,-0.2 0.920 110.8 50.3 -65.2 -37.0 3.2 8.4 36.1 57 53 A A H X S+ 0 0 52 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.877 108.6 52.6 -70.8 -28.3 4.9 10.2 38.9 58 54 A E H >X S+ 0 0 108 -4,-2.0 4,-0.8 -5,-0.2 3,-0.7 0.938 106.4 53.8 -68.0 -40.8 6.4 12.7 36.4 59 55 A Q H >< S+ 0 0 62 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.864 100.7 60.3 -65.3 -32.0 3.0 13.4 35.0 60 56 A V H 3< S+ 0 0 128 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 99.0 59.8 -58.6 -31.9 1.6 14.2 38.5 61 57 A K H << S- 0 0 154 -4,-0.9 2,-0.3 -3,-0.7 -1,-0.2 0.822 118.1 -72.8 -75.1 -29.1 4.2 17.1 38.9 62 58 A G << - 0 0 46 -4,-0.8 2,-0.3 -3,-0.6 -1,-0.2 -0.986 42.9 -92.2 164.4-167.7 3.1 19.1 35.9 63 59 A Q + 0 0 102 -2,-0.3 26,-0.1 -3,-0.1 25,-0.0 -0.996 21.8 174.3-144.7 143.6 3.0 19.4 32.1 64 60 A A + 0 0 76 24,-0.5 2,-0.1 -2,-0.3 55,-0.1 -0.390 19.3 173.5-144.8 58.1 5.3 21.0 29.5 65 61 A P - 0 0 3 0, 0.0 24,-0.2 0, 0.0 25,-0.2 -0.418 25.7-152.0 -71.4 147.7 3.9 20.1 26.1 66 62 A N S S+ 0 0 91 23,-0.7 55,-2.2 54,-0.2 56,-2.2 0.582 72.9 62.7 -91.5 -10.1 5.6 21.7 23.1 67 63 A F E -ab 90 122A 75 22,-0.9 24,-2.7 53,-0.2 2,-0.5 -0.936 56.3-159.5-124.3 144.4 2.5 21.5 20.9 68 64 A L E -ab 91 123A 0 54,-2.3 56,-3.1 -2,-0.4 2,-0.5 -0.996 17.7-157.5-115.9 120.7 -1.1 22.7 20.8 69 65 A W E -ab 92 124A 3 22,-2.8 24,-3.0 -2,-0.5 2,-0.7 -0.912 7.0-169.3 -98.5 119.1 -3.4 20.6 18.6 70 66 A I E +ab 93 125A 1 54,-2.9 56,-2.7 -2,-0.5 2,-0.2 -0.940 35.3 146.8-109.0 101.9 -6.5 22.4 17.3 71 67 A G E -ab 94 126A 0 22,-2.8 24,-1.8 -2,-0.7 27,-0.4 -0.688 46.8 -77.9-134.1 179.8 -8.5 19.6 15.9 72 68 A C E -a 95 0A 9 54,-0.6 24,-0.2 22,-0.2 5,-0.1 -0.586 28.7-128.2 -85.8 149.8 -11.9 18.2 15.2 73 69 A A + 0 0 49 22,-1.7 23,-0.1 -2,-0.2 -1,-0.1 0.613 65.2 133.1 -62.9 -20.6 -14.2 16.4 17.7 74 70 A D > - 0 0 30 21,-0.3 3,-1.9 1,-0.2 -2,-0.1 -0.029 62.4-132.4 -42.9 129.6 -14.5 13.5 15.3 75 71 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.627 101.0 65.6 -63.7 -14.9 -14.0 10.2 17.2 76 72 A R T 3 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.468 91.8 66.5 -90.5 2.9 -11.6 9.0 14.5 77 73 A V < + 0 0 2 -3,-1.9 2,-0.7 -5,-0.1 -1,-0.2 -0.407 54.4 161.6-125.8 60.1 -9.0 11.6 15.2 78 74 A P > - 0 0 41 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.676 30.3-149.5 -76.4 114.4 -7.5 11.1 18.7 79 75 A E H > S+ 0 0 30 -2,-0.7 4,-1.5 1,-0.2 6,-0.2 0.852 88.3 48.7 -60.4 -44.5 -4.3 13.1 18.5 80 76 A V H 4>S+ 0 0 38 1,-0.2 5,-2.6 2,-0.2 4,-0.3 0.887 113.8 48.2 -67.8 -36.9 -2.1 11.1 20.9 81 77 A T H >45S+ 0 0 104 3,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.963 112.3 45.2 -65.1 -52.3 -3.0 7.8 19.3 82 78 A I H 3<5S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.709 118.8 42.8 -75.8 -14.0 -2.4 8.8 15.7 83 79 A M T 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.371 107.4-125.0-100.0 1.8 0.9 10.5 16.4 84 80 A A T < 5 + 0 0 76 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.1 0.939 61.0 147.4 49.3 52.1 2.0 7.7 18.7 85 81 A R < - 0 0 125 -5,-2.6 -1,-0.1 -6,-0.2 3,-0.0 -0.379 41.4-124.5 -99.6-176.1 2.6 10.2 21.5 86 82 A K > - 0 0 106 -2,-0.1 3,-1.6 1,-0.1 4,-0.3 -0.855 39.9 -76.3-123.8 161.9 2.2 9.9 25.3 87 83 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.353 119.3 39.5 -50.1 136.3 0.3 11.8 27.9 88 84 A G T 3 S+ 0 0 28 2,-0.2 -24,-0.5 -3,-0.0 3,-0.1 0.280 95.6 85.9 102.9 -8.5 2.2 15.1 28.5 89 85 A D S < S+ 0 0 53 -3,-1.6 -22,-0.9 1,-0.2 -23,-0.7 0.777 84.5 37.7 -95.6 -31.6 3.1 15.8 24.9 90 86 A V E -a 67 0A 19 -4,-0.3 2,-0.3 -25,-0.2 -1,-0.2 -0.972 58.4-152.3-136.5 116.4 0.1 17.6 23.3 91 87 A F E -a 68 0A 35 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.4 -0.660 34.1-150.1 -78.9 138.4 -2.2 20.3 24.6 92 88 A V E +a 69 0A 47 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.953 33.5 179.9-133.5 134.3 -5.5 20.0 22.9 93 89 A Q E +a 70 0A 16 -24,-3.0 -22,-2.8 -2,-0.4 2,-0.4 -0.997 19.1 179.9-111.8 127.8 -8.5 21.9 21.7 94 90 A R E +a 71 0A 86 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -1.000 13.6 143.8-130.7 132.6 -11.2 19.9 19.9 95 91 A N E > -a 72 0A 33 -24,-1.8 -22,-1.7 -2,-0.4 3,-1.3 -0.854 59.1 -55.7-149.7 180.0 -14.4 21.3 18.5 96 92 A V G > S- 0 0 62 1,-0.3 3,-0.6 -2,-0.3 -24,-0.1 -0.490 119.7 -9.4 -74.9 122.4 -16.6 20.6 15.5 97 93 A A G 3 S- 0 0 0 -2,-0.4 -1,-0.3 1,-0.2 -25,-0.2 0.697 108.7 -88.1 63.3 29.6 -14.7 21.0 12.2 98 94 A N G < + 0 0 1 -3,-1.3 2,-0.3 -27,-0.4 -1,-0.2 0.871 69.9 170.1 45.8 50.8 -11.5 22.4 13.9 99 95 A Q < - 0 0 7 -3,-0.6 2,-0.5 -28,-0.1 -1,-0.2 -0.701 29.2-162.0 -90.4 146.5 -12.5 26.1 13.8 100 96 A F - 0 0 2 -2,-0.3 83,-0.1 -30,-0.1 3,-0.0 -0.887 18.9-165.2-124.0 91.0 -10.7 28.8 15.5 101 97 A K > - 0 0 21 -2,-0.5 3,-2.1 1,-0.1 7,-0.2 -0.701 18.0-143.4 -84.0 123.8 -13.3 31.6 15.5 102 98 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.858 100.5 52.9 -53.7 -38.4 -11.9 35.0 16.4 103 99 A E T 3 S+ 0 0 131 1,-0.1 2,-1.1 4,-0.0 3,-0.1 0.455 82.4 103.4 -75.4 -5.4 -15.1 36.0 18.3 104 100 A D <> - 0 0 60 -3,-2.1 4,-2.5 1,-0.2 3,-0.4 -0.689 52.2-169.5 -85.1 102.1 -14.9 32.8 20.5 105 101 A D H > S+ 0 0 128 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.864 85.2 56.1 -58.9 -35.7 -13.6 34.0 23.9 106 102 A S H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 109.5 45.3 -67.1 -34.2 -13.1 30.5 25.1 107 103 A S H > S+ 0 0 7 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.929 112.7 50.8 -72.5 -40.9 -10.9 29.6 22.1 108 104 A Q H X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.906 110.4 50.3 -61.6 -39.5 -8.9 32.9 22.5 109 105 A A H X S+ 0 0 61 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.912 109.2 50.8 -63.7 -40.8 -8.4 32.1 26.2 110 106 A L H X S+ 0 0 39 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.927 112.2 46.7 -62.7 -45.8 -7.2 28.6 25.4 111 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.920 113.2 48.6 -63.6 -44.0 -4.7 29.9 22.9 112 108 A N H X S+ 0 0 70 -4,-2.7 4,-3.0 -5,-0.2 5,-0.4 0.938 113.5 47.0 -62.4 -42.2 -3.5 32.7 25.2 113 109 A Y H X>S+ 0 0 124 -4,-2.5 5,-2.6 -5,-0.2 4,-2.1 0.923 110.3 53.2 -63.6 -42.6 -3.1 30.2 28.0 114 110 A A H <>S+ 0 0 0 -4,-2.6 6,-2.2 -5,-0.2 5,-1.6 0.905 119.4 33.3 -58.6 -44.3 -1.3 27.7 25.8 115 111 A I H <5S+ 0 0 0 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.907 126.6 36.1 -79.4 -47.1 1.3 30.3 24.7 116 112 A M H <5S+ 0 0 75 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.843 135.1 13.4 -83.5 -30.5 1.7 32.5 27.7 117 113 A N T <5S+ 0 0 113 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.797 126.2 45.1-112.9 -48.2 1.4 29.9 30.5 118 114 A V T - c 0 212A 0 83,-0.2 3,-0.8 -2,-0.2 85,-0.2 -0.998 20.4 -99.9-156.5 150.1 -9.2 15.4 8.5 129 125 A T T 3 S+ 0 0 13 83,-2.3 3,-0.1 -2,-0.3 41,-0.0 -0.335 106.2 35.5 -67.0 154.0 -10.9 13.7 5.5 130 126 A G T 3 S+ 0 0 28 1,-0.2 2,-0.6 2,-0.1 -1,-0.2 0.733 78.5 170.0 75.3 21.1 -14.5 12.6 6.1 131 127 A C <> - 0 0 1 -3,-0.8 4,-2.6 1,-0.2 -1,-0.2 -0.553 25.3-155.0 -73.9 116.0 -15.2 15.7 8.2 132 128 A G H > S+ 0 0 44 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.836 90.2 52.8 -61.3 -37.0 -18.9 15.9 8.8 133 129 A G H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 113.3 44.5 -66.2 -40.4 -19.1 19.6 9.3 134 130 A C H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.902 112.2 51.6 -68.6 -40.9 -17.3 20.2 6.1 135 131 A I H X S+ 0 0 79 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.922 113.8 45.7 -59.8 -41.9 -19.4 17.6 4.2 136 132 A A H >< S+ 0 0 30 -4,-2.6 3,-1.1 -5,-0.2 4,-0.3 0.928 112.1 50.4 -66.8 -42.5 -22.5 19.3 5.6 137 133 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.842 97.1 71.1 -62.9 -31.3 -21.2 22.8 4.7 138 134 A F H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 105.4 36.2 -62.3 -27.8 -20.3 21.7 1.2 139 135 A D T << S+ 0 0 134 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.266 93.7 108.1-108.6 10.0 -24.0 21.5 0.2 140 136 A Q < - 0 0 66 -3,-1.4 2,-0.1 -4,-0.3 20,-0.0 -0.667 65.5-122.9 -90.6 144.9 -25.5 24.4 2.1 141 137 A P - 0 0 92 0, 0.0 17,-0.1 0, 0.0 -2,-0.1 -0.339 43.9 -86.2 -70.8 162.2 -26.7 27.7 0.7 142 138 A L 0 0 72 1,-0.1 12,-0.0 15,-0.1 16,-0.0 -0.371 360.0 360.0 -66.6 142.4 -25.2 30.9 2.0 143 139 A P 0 0 92 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 0.963 360.0 360.0 -87.8 360.0 -27.0 32.1 5.1 144 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 145 145 A G 0 0 61 0, 0.0 6,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 114.1 -29.4 29.4 9.5 146 146 A G + 0 0 73 4,-0.0 3,-0.1 5,-0.0 0, 0.0 0.650 360.0 30.6 -84.0 -15.6 -31.9 26.7 10.4 147 147 A T S > S- 0 0 63 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.932 83.0-108.5-131.5 165.2 -30.1 24.4 13.0 148 148 A P H > S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.885 121.1 53.0 -54.7 -42.0 -27.4 25.1 15.6 149 149 A L H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.944 107.9 47.2 -60.7 -50.6 -25.0 23.2 13.4 150 150 A V H 4 S+ 0 0 23 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.909 113.7 48.4 -62.6 -38.4 -25.7 25.2 10.2 151 151 A R H >< S+ 0 0 133 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.954 111.9 50.4 -63.9 -41.7 -25.4 28.5 12.1 152 152 A Y H 3< S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.838 108.7 52.2 -61.4 -35.1 -22.1 27.2 13.6 153 153 A L T >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-1.2 0.436 74.2 113.2 -84.7 1.5 -20.8 26.2 10.2 154 154 A E H <> S+ 0 0 68 -3,-1.5 4,-2.8 -4,-0.3 5,-0.2 0.840 74.8 52.0 -44.9 -44.2 -21.5 29.6 8.6 155 155 A P H 3> S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.861 111.8 46.4 -65.3 -31.8 -17.8 30.5 8.1 156 156 A I H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.856 112.4 51.0 -76.0 -35.5 -17.1 27.1 6.4 157 157 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.945 110.6 48.6 -61.9 -46.5 -20.2 27.6 4.2 158 158 A R H X S+ 0 0 125 -4,-2.8 4,-0.9 -5,-0.2 -2,-0.2 0.920 110.9 50.9 -62.2 -41.9 -19.1 31.1 3.3 159 159 A L H >X S+ 0 0 31 -4,-1.9 3,-1.2 1,-0.2 4,-0.8 0.939 107.8 53.4 -59.1 -45.3 -15.6 29.7 2.4 160 160 A K H >< S+ 0 0 42 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.913 105.1 53.6 -55.4 -42.5 -17.1 27.0 0.3 161 161 A H H 3< S+ 0 0 93 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.716 108.4 52.0 -68.6 -17.1 -19.0 29.6 -1.7 162 162 A S H << S+ 0 0 99 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.543 89.3 98.6 -93.1 -12.0 -15.7 31.4 -2.3 163 163 A L S << S- 0 0 28 -3,-1.1 3,-0.1 -4,-0.8 4,-0.0 -0.467 81.4 -94.4 -79.0 154.2 -13.9 28.4 -3.7 164 164 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.155 46.7 -82.5 -67.2 157.6 -13.5 27.8 -7.4 165 165 A E T 3 S+ 0 0 107 1,-0.3 3,-0.1 0, 0.0 0, 0.0 -0.242 116.8 31.3 -47.9 130.0 -15.6 25.8 -9.6 166 166 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 2,-0.0 0.304 79.4 144.5 98.7 -11.7 -14.6 22.2 -9.3 167 167 A S < - 0 0 19 -3,-2.0 -1,-0.3 -7,-0.1 2,-0.2 -0.389 35.4-151.9 -61.3 139.0 -13.5 22.2 -5.8 168 168 A D > - 0 0 81 -3,-0.1 4,-1.9 1,-0.0 3,-0.4 -0.441 32.3 -88.1-105.3-177.8 -14.3 19.0 -4.0 169 169 A V H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 127.1 51.2 -58.2 -43.5 -15.0 18.1 -0.3 170 170 A N H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.825 105.2 56.4 -69.7 -27.8 -11.3 17.6 0.4 171 171 A D H > S+ 0 0 60 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.897 109.3 46.6 -63.2 -43.1 -10.5 20.9 -1.1 172 172 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.903 110.5 52.2 -65.3 -39.3 -12.9 22.5 1.4 173 173 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.951 112.3 45.9 -61.6 -45.4 -11.5 20.6 4.3 174 174 A K H X S+ 0 0 74 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.927 113.4 47.9 -62.3 -45.8 -8.0 21.8 3.4 175 175 A E H X S+ 0 0 70 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.859 107.5 57.6 -65.7 -31.4 -9.1 25.4 2.9 176 176 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.915 105.7 50.1 -66.5 -41.3 -10.9 25.2 6.2 177 177 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.951 111.4 48.5 -54.8 -49.7 -7.6 24.2 7.9 178 178 A K H X S+ 0 0 75 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.872 109.0 53.4 -64.5 -35.5 -5.9 27.2 6.2 179 179 A M H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.901 109.9 47.2 -63.8 -43.8 -8.7 29.5 7.3 180 180 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.899 108.6 54.7 -67.0 -38.3 -8.3 28.4 10.9 181 181 A V H X S+ 0 0 4 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.932 108.5 49.7 -57.4 -46.9 -4.5 28.9 10.7 182 182 A K H X S+ 0 0 55 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 109.9 50.5 -60.1 -41.0 -5.1 32.5 9.5 183 183 A N H < S+ 0 0 40 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.885 112.0 47.4 -66.1 -38.5 -7.5 33.1 12.4 184 184 A V H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 6,-0.5 0.943 112.4 49.7 -64.4 -46.1 -4.9 31.7 14.9 185 185 A V H 3< S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.885 110.1 50.4 -59.9 -37.0 -2.2 33.9 13.3 186 186 A N T 3< S+ 0 0 101 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.495 86.4 116.5 -81.4 -1.9 -4.3 37.0 13.5 187 187 A S S <> S- 0 0 2 -3,-1.4 4,-2.6 -4,-0.3 5,-0.3 -0.285 77.8-120.3 -65.8 151.3 -5.2 36.5 17.2 188 188 A P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.869 113.2 58.8 -56.9 -33.5 -4.0 39.0 19.7 189 189 A T H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 111.8 35.9 -60.1 -53.0 -2.0 36.2 21.3 190 190 A I H > S+ 0 0 0 -6,-0.5 4,-2.9 2,-0.2 5,-0.3 0.927 116.5 52.3 -72.1 -43.6 0.1 35.3 18.3 191 191 A Q H X S+ 0 0 82 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.917 114.1 45.8 -58.6 -40.0 0.5 38.8 17.0 192 192 A G H X S+ 0 0 34 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.906 112.1 49.7 -66.3 -45.1 1.7 39.8 20.5 193 193 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.911 110.3 51.3 -62.1 -41.7 4.0 36.8 20.8 194 194 A W H X S+ 0 0 9 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.932 108.9 49.8 -64.4 -42.5 5.5 37.5 17.4 195 195 A E H X S+ 0 0 40 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.939 111.6 48.9 -63.6 -37.9 6.2 41.1 18.2 196 196 A Q H ><>S+ 0 0 66 -4,-2.3 5,-2.9 1,-0.2 3,-0.7 0.898 110.0 51.8 -67.3 -38.6 7.9 40.1 21.5 197 197 A A H ><5S+ 0 0 12 -4,-2.4 3,-1.6 4,-0.3 -1,-0.2 0.926 105.5 54.4 -61.7 -39.3 10.0 37.5 19.7 198 198 A R H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 108.4 50.7 -64.0 -23.0 11.2 40.1 17.2 199 199 A K T <<5S- 0 0 132 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.387 118.0-116.2 -88.9 -8.2 12.2 42.2 20.2 200 200 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.725 87.8 114.6 72.9 24.8 14.1 39.2 21.6 201 201 A E S >> - E 0 218A 43 5,-2.9 4,-2.3 -2,-0.6 3,-1.5 -0.786 6.5-165.8 -92.4 103.3 -5.9 11.3 5.8 214 214 A L T 345S+ 0 0 46 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.745 84.2 64.8 -61.9 -23.8 -8.2 8.6 7.2 215 215 A S T 345S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.686 121.5 15.9 -74.5 -20.9 -7.6 6.5 4.1 216 216 A T T <45S- 0 0 79 -3,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.545 95.8-121.4-125.2 -13.0 -3.9 6.0 4.9 217 217 A G T <5 + 0 0 35 -4,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.434 69.4 135.6 77.3 3.9 -3.5 7.1 8.5 218 218 A N E < -E 213 0A 99 -5,-0.6 -5,-2.9 -6,-0.0 2,-0.5 -0.671 52.0-142.2 -91.0 139.3 -1.0 9.7 7.4 219 219 A I E -E 212 0A 53 -2,-0.4 2,-0.4 -7,-0.3 -7,-0.2 -0.836 21.3-159.0 -82.9 122.0 -0.8 13.4 8.5 220 220 A V E -E 211 0A 60 -9,-3.0 -9,-2.5 -2,-0.5 2,-0.5 -0.933 14.0-129.7-111.1 135.8 0.1 15.6 5.6 221 221 A D E -E 210 0A 71 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.714 9.2-158.6 -80.4 121.9 1.6 19.1 6.1 222 222 A L - 0 0 25 -13,-2.5 -12,-0.1 -2,-0.5 -1,-0.1 0.510 34.8-126.5 -77.1 -5.3 -0.3 21.7 4.0 223 223 A N S S+ 0 0 128 -14,-0.4 -13,-0.1 1,-0.1 -15,-0.1 0.928 70.8 125.8 55.8 55.2 2.7 23.9 4.2 224 224 A V + 0 0 38 -15,-0.3 -1,-0.1 2,-0.1 -17,-0.1 -0.099 32.1 152.6-123.1 28.0 1.1 27.0 5.5 225 225 A T - 0 0 61 -16,-0.1 2,-0.3 -17,-0.1 -17,-0.2 -0.366 20.0-174.2 -66.9 137.9 3.4 27.5 8.4 226 226 A Q B +D 207 0A 85 -19,-2.2 -19,-2.7 -2,-0.1 -2,-0.1 -0.979 8.4 166.8-132.3 147.4 4.0 31.0 9.8 227 227 A G - 0 0 11 2,-0.6 -21,-0.1 -2,-0.3 -33,-0.1 -0.673 56.8 -73.0-139.3-171.4 6.3 32.4 12.4 228 228 A P S S+ 0 0 5 0, 0.0 -30,-0.1 0, 0.0 -22,-0.1 0.659 117.3 41.0 -63.9 -22.5 7.5 35.8 13.6 229 229 A H 0 0 101 1,-0.2 -2,-0.6 -31,-0.0 -35,-0.0 -0.817 360.0 360.0-122.2 158.4 9.7 36.2 10.5 230 230 A P 0 0 182 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.351 360.0 360.0 -77.4 360.0 9.0 35.3 6.9