==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/RNA 28-JUN-11 3SN2 . COMPND 2 MOLECULE: CYTOPLASMIC ACONITATE HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR K.VOLZ,A.I.SELEZNEVA,W.E.WALDEN . 848 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 77 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 4 0 4 1 4 4 5 1 0 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 7 3 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 PARALLEL BRIDGES PER LADDER . 5 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 2 1 0 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 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 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.0 45.9 30.2 7.0 2 3 A N > - 0 0 26 1,-0.1 3,-2.6 49,-0.0 4,-0.2 -0.962 360.0-121.5-118.6 131.7 43.6 28.6 9.6 3 4 A P T 3 S+ 0 0 41 0, 0.0 3,-0.2 0, 0.0 47,-0.1 0.556 110.8 51.8 -48.6 -15.3 42.2 25.0 9.1 4 5 A F T > + 0 0 6 45,-0.3 3,-2.6 42,-0.2 4,-0.3 0.167 69.6 117.2-109.2 17.4 38.6 26.2 9.3 5 6 A A G X + 0 0 47 -3,-2.6 3,-2.7 1,-0.3 -1,-0.2 0.860 62.8 73.2 -51.3 -39.0 39.0 28.9 6.6 6 7 A Y G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.553 91.7 58.8 -56.2 -6.9 36.5 27.0 4.5 7 8 A L G < S+ 0 0 1 -3,-2.6 15,-2.8 14,-0.0 -1,-0.3 0.617 82.3 98.9 -97.7 -15.8 33.8 28.2 6.9 8 9 A A E < +A 21 0A 25 -3,-2.7 13,-0.3 -4,-0.3 11,-0.0 -0.519 46.4 162.5 -77.2 135.8 34.3 31.9 6.4 9 10 A E E -A 20 0A 67 11,-2.4 11,-1.8 -2,-0.2 -2,-0.0 -0.996 45.3 -87.7-149.9 151.8 32.0 33.8 4.1 10 11 A P E -A 19 0A 47 0, 0.0 9,-0.2 0, 0.0 7,-0.1 -0.369 25.9-145.3 -56.5 136.1 31.0 37.3 3.3 11 12 A L S S+ 0 0 21 7,-1.9 8,-0.1 1,-0.3 3,-0.1 0.844 98.0 19.6 -69.3 -34.0 28.1 38.4 5.6 12 13 A D S > S- 0 0 38 6,-0.6 3,-1.5 3,-0.3 -1,-0.3 -0.978 79.7-139.5-137.0 123.9 27.0 40.4 2.5 13 14 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.774 101.8 63.1 -59.0 -29.7 28.3 39.4 -0.9 14 15 A A T 3 S+ 0 0 78 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 0.898 105.1 46.8 -56.4 -44.1 28.7 43.1 -1.9 15 16 A Q X + 0 0 85 -3,-1.5 3,-2.2 1,-0.2 -3,-0.3 -0.510 67.1 167.6-101.0 66.3 31.2 43.5 0.9 16 17 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.672 73.0 65.0 -55.9 -17.9 33.5 40.5 0.3 17 18 A G T 3 S+ 0 0 51 1,-0.2 2,-1.0 -3,-0.1 -2,-0.1 0.822 88.7 69.5 -73.0 -33.2 36.0 42.0 2.7 18 19 A K S < S+ 0 0 63 -3,-2.2 -7,-1.9 -6,-0.2 -6,-0.6 -0.754 75.8 172.1 -93.7 100.4 33.7 41.8 5.7 19 20 A K E -Ab 10 174A 62 154,-3.0 156,-1.6 -2,-1.0 2,-0.3 -0.451 22.5-162.9-109.9 172.1 33.5 38.1 6.5 20 21 A F E -A 9 0A 5 -11,-1.8 -11,-2.4 154,-0.2 2,-0.9 -0.960 28.1-115.9-156.3 139.0 32.2 35.6 9.1 21 22 A F E -A 8 0A 4 154,-0.3 2,-1.0 -2,-0.3 -13,-0.3 -0.645 30.3-146.0 -76.4 105.3 32.7 32.0 10.0 22 23 A N > - 0 0 12 -15,-2.8 3,-1.1 -2,-0.9 297,-0.1 -0.614 16.4-174.8 -78.7 102.6 29.4 30.2 9.3 23 24 A L T >> S+ 0 0 0 -2,-1.0 3,-1.8 1,-0.3 4,-0.8 0.718 75.3 78.1 -69.9 -23.4 29.2 27.5 12.0 24 25 A N H 3> S+ 0 0 49 1,-0.3 4,-0.6 294,-0.2 3,-0.3 0.847 92.4 53.9 -51.2 -35.6 26.0 26.3 10.4 25 26 A K H <4 S+ 0 0 123 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 -0.095 95.5 71.4 -93.1 34.9 28.2 24.6 7.8 26 27 A L H <4 S- 0 0 28 -3,-1.8 -1,-0.2 -19,-0.0 -2,-0.2 0.695 126.5 -43.2-114.6 -37.6 30.3 22.9 10.5 27 28 A D H >X - 0 0 48 -4,-0.8 4,-3.1 -3,-0.3 3,-1.8 -0.024 54.3-172.6 168.7 78.2 27.8 20.2 11.7 28 29 A Y H 3X S+ 0 0 125 -4,-0.6 4,-1.7 1,-0.3 5,-0.1 0.733 81.7 68.3 -62.0 -23.1 24.2 21.4 12.2 29 30 A S H 34 S+ 0 0 94 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.840 120.0 20.4 -63.5 -32.0 23.1 18.2 13.8 30 31 A R H X> S+ 0 0 66 -3,-1.8 3,-1.3 2,-0.1 4,-0.8 0.806 127.3 49.6-100.6 -46.0 25.3 19.0 16.8 31 32 A Y H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -3,-0.2 0.926 103.6 61.1 -60.4 -44.8 25.8 22.8 16.5 32 33 A G T 3< S+ 0 0 1 -4,-1.7 -1,-0.3 -5,-0.3 -3,-0.1 0.622 110.2 42.8 -59.2 -12.3 22.0 23.3 16.0 33 34 A R T <4 S+ 0 0 86 -3,-1.3 300,-2.3 -5,-0.1 -1,-0.3 0.507 88.5 110.8-112.1 -11.1 21.6 21.8 19.5 34 35 A L S << S- 0 0 4 -3,-1.4 2,-0.2 -4,-0.8 300,-0.1 -0.239 77.6-101.7 -60.8 151.6 24.4 23.5 21.4 35 36 A P > - 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.541 33.6-116.2 -67.5 145.2 23.7 26.2 24.1 36 37 A F H > S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.827 115.2 55.5 -58.8 -34.7 24.3 29.7 22.7 37 38 A S H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.945 108.7 47.0 -57.7 -49.7 27.1 30.3 25.2 38 39 A I H > S+ 0 0 0 -3,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.887 107.7 58.9 -60.8 -35.6 28.9 27.2 23.9 39 40 A R H X S+ 0 0 4 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.931 106.3 47.0 -58.4 -44.6 28.1 28.6 20.5 40 41 A V H X S+ 0 0 7 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.953 112.1 48.7 -60.5 -51.1 30.1 31.7 21.5 41 42 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 37,-0.3 0.933 114.8 47.7 -51.8 -47.8 33.0 29.6 22.8 42 43 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.985 109.9 49.8 -55.8 -65.9 32.9 27.6 19.6 43 44 A E H X S+ 0 0 1 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.911 114.4 46.5 -40.9 -55.6 32.7 30.6 17.3 44 45 A A H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.929 115.1 44.9 -58.5 -46.7 35.7 32.2 19.1 45 46 A A H X S+ 0 0 2 -4,-3.0 4,-0.6 -5,-0.3 -2,-0.2 0.966 116.4 46.3 -61.5 -53.6 37.8 28.9 19.1 46 47 A V H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.2 -42,-0.2 0.975 113.9 47.3 -47.4 -65.9 37.0 28.2 15.4 47 48 A R H 3< S+ 0 0 34 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.852 118.0 43.0 -49.6 -38.5 37.7 31.7 14.3 48 49 A N H 3< S+ 0 0 39 -4,-2.5 -1,-0.3 -5,-0.3 2,-0.2 0.399 79.5 134.5 -93.6 6.9 40.9 31.7 16.2 49 50 A C << + 0 0 1 -3,-2.2 -45,-0.3 -4,-0.6 6,-0.2 -0.364 15.0 156.5 -59.1 119.3 42.1 28.2 15.3 50 51 A D - 0 0 66 4,-1.4 5,-0.2 -2,-0.2 -1,-0.1 0.123 60.7-106.3-135.7 20.2 45.8 28.4 14.3 51 52 A K S S+ 0 0 143 3,-1.4 4,-0.2 1,-0.2 -2,-0.1 0.655 109.3 43.3 64.6 16.6 47.2 24.9 14.8 52 53 A F S S+ 0 0 50 2,-0.4 3,-0.3 3,-0.0 -1,-0.2 0.261 116.9 27.8-149.1 -79.0 49.0 26.1 18.0 53 54 A L S S+ 0 0 30 1,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.799 140.4 23.0 -64.5 -27.2 47.3 28.3 20.5 54 55 A V S S- 0 0 1 -6,-0.2 -4,-1.4 -8,-0.0 -3,-1.4 -0.871 83.2-167.0-144.6 105.7 44.0 26.7 19.3 55 56 A K >> - 0 0 50 -2,-0.3 4,-1.3 -3,-0.3 3,-0.6 -0.339 33.5-105.5 -94.0 173.7 44.1 23.3 17.7 56 57 A K H 3> S+ 0 0 124 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.896 116.2 57.6 -66.9 -44.1 41.5 21.4 15.7 57 58 A E H 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.717 101.4 60.4 -62.5 -20.6 40.6 18.9 18.4 58 59 A D H <> S+ 0 0 30 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.964 106.3 43.6 -68.0 -54.2 39.7 21.9 20.5 59 60 A I H X S+ 0 0 2 -4,-1.3 4,-3.1 1,-0.2 5,-0.2 0.933 114.9 52.0 -52.9 -44.8 37.1 23.1 18.1 60 61 A E H X S+ 0 0 79 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.880 111.0 47.1 -61.4 -38.7 36.0 19.4 17.9 61 62 A N H < S+ 0 0 47 -4,-2.1 7,-0.3 2,-0.2 -2,-0.2 0.976 114.0 44.9 -66.8 -57.2 35.8 19.2 21.7 62 63 A I H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.2 -2,-0.2 0.956 115.8 48.9 -49.7 -51.7 33.8 22.4 22.1 63 64 A L H 3< S+ 0 0 5 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.890 109.0 52.5 -56.7 -41.8 31.6 21.3 19.2 64 65 A N T >X S+ 0 0 40 -4,-2.3 4,-3.2 -5,-0.2 3,-1.7 -0.065 74.4 134.4 -85.4 33.9 31.2 17.9 20.8 65 66 A W H <> + 0 0 2 -3,-1.7 4,-3.0 1,-0.3 5,-0.3 0.940 57.5 67.2 -45.1 -60.1 30.1 19.6 24.0 66 67 A N H 34 S+ 0 0 81 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.709 119.1 24.8 -40.8 -25.8 27.1 17.4 24.6 67 68 A V H X4 S+ 0 0 65 -3,-1.7 3,-1.6 -6,-0.2 4,-0.3 0.790 120.3 53.3-104.0 -46.3 29.7 14.6 25.2 68 69 A T H ><>S+ 0 0 6 -4,-3.2 3,-0.9 -7,-0.3 5,-0.8 0.679 93.3 74.8 -68.1 -15.5 32.8 16.4 26.3 69 70 A Q T 3<5S+ 0 0 10 -4,-3.0 3,-0.4 -5,-0.3 -1,-0.3 0.802 98.4 47.4 -63.7 -27.3 30.9 18.2 29.0 70 71 A H T < 5S+ 0 0 120 -3,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.523 100.9 64.3 -92.4 -8.1 30.9 15.0 30.9 71 72 A M T < 5S- 0 0 122 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.323 99.7-126.9-101.9 7.1 34.6 14.2 30.5 72 73 A N T 5 + 0 0 122 -3,-0.4 2,-0.3 -4,-0.3 -3,-0.1 0.937 49.1 166.6 50.1 59.4 35.8 17.2 32.5 73 74 A I < - 0 0 40 -5,-0.8 145,-3.1 145,-0.2 2,-0.6 -0.849 36.3-120.2-114.5 146.8 38.2 18.4 29.7 74 75 A E E +D 217 0B 88 -2,-0.3 143,-0.3 143,-0.3 141,-0.1 -0.726 31.9 178.8 -93.7 116.9 39.9 21.7 29.3 75 76 A V E -D 216 0B 1 141,-2.8 141,-3.0 -2,-0.6 2,-0.4 -0.666 30.2-104.7-108.1 166.1 39.1 23.8 26.2 76 77 A P E -D 215 0B 12 0, 0.0 2,-0.5 0, 0.0 139,-0.2 -0.749 24.2-163.6 -93.8 137.3 40.4 27.3 25.2 77 78 A F E -D 214 0B 0 137,-2.0 137,-2.5 -2,-0.4 -36,-0.1 -0.981 3.7-170.5-120.5 119.2 38.3 30.4 25.4 78 79 A K - 0 0 26 -2,-0.5 -30,-0.1 -37,-0.3 101,-0.0 -0.879 15.3-149.7-114.1 99.0 39.6 33.4 23.4 79 80 A P - 0 0 10 0, 0.0 101,-0.2 0, 0.0 99,-0.1 -0.229 15.5-130.4 -72.6 154.4 37.7 36.6 24.3 80 81 A A S S- 0 0 4 99,-0.8 2,-0.2 97,-0.2 100,-0.2 0.903 83.1 -5.4 -66.9 -44.7 37.0 39.5 22.0 81 82 A R E -e 180 0C 1 98,-1.8 100,-0.8 36,-0.2 2,-0.3 -0.753 64.9-123.3-140.6-176.5 38.1 42.2 24.4 82 83 A V E -ef 181 119C 0 36,-2.0 38,-3.1 -2,-0.2 2,-0.6 -0.999 8.7-148.2-140.7 140.4 39.4 42.9 27.9 83 84 A I E -ef 182 120C 2 98,-2.9 100,-3.0 -2,-0.3 2,-0.5 -0.924 10.7-174.9-110.7 123.3 38.3 45.1 30.8 84 85 A L E -ef 183 121C 4 36,-3.2 38,-2.4 -2,-0.6 2,-0.2 -0.954 16.0-148.8-114.4 118.0 40.8 46.6 33.3 85 86 A Q E > - f 0 122C 36 98,-1.0 3,-2.4 -2,-0.5 4,-0.2 -0.586 54.9 -38.4 -88.0 145.3 39.3 48.5 36.2 86 87 A D T 3 S- 0 0 60 36,-1.8 3,-0.4 1,-0.3 -2,-0.1 -0.093 124.3 -18.8 41.0-119.0 41.0 51.5 37.8 87 88 A F T > S+ 0 0 37 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.132 102.4 107.3-106.7 21.4 44.8 50.8 38.0 88 89 A T T < S+ 0 0 31 -3,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.703 76.4 59.4 -70.7 -17.9 44.8 47.0 37.6 89 90 A G T 3> S+ 0 0 0 -3,-0.4 4,-3.0 -4,-0.2 5,-0.3 0.607 75.9 93.1 -87.1 -13.4 46.2 47.5 34.1 90 91 A V H <> S+ 0 0 2 -3,-0.9 4,-3.1 1,-0.3 5,-0.2 0.904 86.0 49.4 -47.0 -53.1 49.3 49.3 35.1 91 92 A P H > S+ 0 0 6 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.915 114.8 46.6 -53.1 -44.8 51.4 46.1 35.3 92 93 A S H > S+ 0 0 6 -4,-0.4 4,-3.1 -3,-0.2 5,-0.3 0.973 112.8 45.7 -61.3 -60.1 50.1 45.2 31.8 93 94 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.908 114.3 51.6 -51.5 -44.8 50.7 48.5 30.1 94 95 A V H X S+ 0 0 4 -4,-3.1 4,-3.1 -5,-0.3 5,-0.3 0.965 109.2 49.6 -55.1 -55.5 54.1 48.6 31.8 95 96 A D H X S+ 0 0 2 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.936 112.3 46.9 -49.2 -54.2 54.9 45.1 30.4 96 97 A F H X S+ 0 0 3 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.912 112.1 51.6 -58.2 -43.6 53.8 46.1 26.9 97 98 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.3 -2,-0.2 0.985 110.2 47.1 -52.1 -62.1 55.9 49.3 27.2 98 99 A A H X S+ 0 0 3 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.855 111.1 55.1 -49.4 -38.0 59.0 47.4 28.2 99 100 A M H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.967 106.9 47.2 -60.5 -55.2 58.2 45.0 25.4 100 101 A R H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.952 112.0 53.2 -49.5 -50.1 58.2 47.8 22.8 101 102 A D H X S+ 0 0 51 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.935 110.8 45.3 -48.8 -54.1 61.4 49.0 24.4 102 103 A A H X S+ 0 0 6 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.936 111.4 51.5 -57.9 -49.6 63.0 45.5 24.0 103 104 A V H < S+ 0 0 0 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.854 111.5 48.5 -57.5 -36.5 61.8 45.2 20.4 104 105 A K H >< S+ 0 0 124 -4,-2.6 3,-1.4 -5,-0.3 -1,-0.2 0.922 108.3 53.9 -65.9 -45.2 63.3 48.6 19.7 105 106 A K H 3< S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.750 112.4 45.2 -60.1 -24.9 66.5 47.5 21.4 106 107 A L T 3< S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.419 122.7-104.1-101.1 0.5 66.5 44.5 19.0 107 108 A G S < S+ 0 0 63 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.963 73.2 114.1 78.2 86.6 65.7 46.5 15.9 108 109 A G S S- 0 0 26 -5,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 -0.849 77.0 -74.1 179.9 142.4 62.1 46.2 14.8 109 110 A D > - 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0 0 16 0, 0.0 -36,-0.2 0, 0.0 5,-0.1 0.679 40.1-138.9 -78.2 -19.3 15.7 56.3 46.6 453 474 A G - 0 0 40 -38,-0.1 2,-0.3 4,-0.1 5,-0.0 -0.417 29.1 -54.8 90.7-168.9 19.5 56.5 47.1 454 475 A S S S+ 0 0 126 -2,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.815 88.4 47.5-112.9 151.5 22.1 57.4 44.6 455 476 A G S > S- 0 0 23 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.893 106.6 -11.0 124.5-153.3 22.9 55.8 41.2 456 477 A V T >> S+ 0 0 35 -2,-0.3 3,-1.6 1,-0.3 4,-1.5 0.778 116.3 74.8 -56.4 -33.0 20.8 54.7 38.2 457 478 A V H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.815 83.7 71.2 -53.3 -29.9 17.5 55.2 40.1 458 479 A T H <> S+ 0 0 61 -3,-1.8 4,-3.0 1,-0.2 -1,-0.3 0.909 101.7 41.9 -49.0 -49.1 18.1 58.9 39.6 459 480 A Y H <> S+ 0 0 6 -3,-1.6 4,-2.7 -4,-0.4 5,-0.3 0.907 111.2 55.2 -66.7 -44.7 17.4 58.5 35.8 460 481 A Y H < S+ 0 0 10 -4,-1.5 4,-0.2 1,-0.2 -1,-0.2 0.788 117.5 37.4 -58.6 -29.9 14.4 56.2 36.4 461 482 A L H <>S+ 0 0 10 -4,-2.1 5,-1.2 -5,-0.2 6,-0.8 0.874 121.2 41.8 -90.8 -44.1 12.9 58.9 38.6 462 483 A R H ><5S+ 0 0 111 -4,-3.0 3,-1.2 -5,-0.3 -3,-0.2 0.943 115.1 47.9 -66.3 -49.4 13.9 62.0 36.7 463 484 A E T 3<5S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.586 107.9 53.7 -79.1 -10.9 13.2 60.8 33.2 464 485 A S T 3 5S- 0 0 21 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.497 102.0-131.4 -95.2 -6.1 9.8 59.4 33.9 465 486 A G T < 5 + 0 0 38 -3,-1.2 4,-0.4 -4,-0.3 -3,-0.1 0.839 67.0 130.2 61.8 36.2 8.6 62.7 35.4 466 487 A V >< + 0 0 2 -5,-1.2 4,-2.8 1,-0.2 5,-0.2 0.711 39.6 88.3 -94.6 -23.8 7.2 60.9 38.4 467 488 A M H > S+ 0 0 51 -6,-0.8 4,-3.1 1,-0.2 5,-0.2 0.843 87.9 52.5 -47.1 -45.6 8.8 62.9 41.2 468 489 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.970 111.4 45.4 -54.8 -54.2 5.9 65.4 41.2 469 490 A Y H > S+ 0 0 70 -4,-0.4 4,-1.0 1,-0.2 -2,-0.2 0.873 114.5 49.6 -58.9 -38.7 3.3 62.6 41.6 470 491 A L H ><>S+ 0 0 4 -4,-2.8 5,-2.1 1,-0.2 3,-0.8 0.956 112.5 46.5 -62.8 -48.6 5.5 61.0 44.3 471 492 A S H ><5S+ 0 0 40 -4,-3.1 3,-1.8 1,-0.2 5,-0.2 0.784 102.1 65.7 -66.0 -28.6 5.9 64.3 46.1 472 493 A Q H 3<5S+ 0 0 129 -4,-2.3 -30,-0.3 1,-0.3 -1,-0.2 0.829 99.7 50.7 -65.1 -32.4 2.1 65.0 45.9 473 494 A L T <<5S- 0 0 6 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.182 132.4 -98.3 -86.9 17.7 1.4 62.0 48.1 474 495 A G T < 5S+ 0 0 28 -3,-1.8 2,-1.8 1,-0.2 -3,-0.2 0.469 86.3 134.3 82.4 1.4 3.9 63.5 50.4 475 496 A F < + 0 0 0 -5,-2.1 -3,-0.2 -6,-0.2 -1,-0.2 -0.521 27.9 154.9 -85.2 71.6 6.7 61.2 49.2 476 497 A D - 0 0 82 -2,-1.8 -26,-1.9 -28,-0.3 2,-0.3 -0.365 47.8 -89.9 -85.2 175.2 9.4 63.9 48.8 477 498 A V B p 450 0E 86 -28,-0.1 -26,-0.2 1,-0.1 -1,-0.1 -0.643 360.0 360.0 -89.9 142.6 13.1 63.1 48.9 478 499 A V 0 0 132 -28,-2.2 -27,-0.2 -2,-0.3 -1,-0.1 0.526 360.0 360.0-135.8 360.0 15.1 63.2 52.1 479 ! 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 0.0 480 512 A P 0 0 128 0, 0.0 31,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.1 9.3 62.6 65.1 481 513 A L - 0 0 18 1,-0.2 5,-0.1 2,-0.1 -35,-0.1 -0.541 360.0 -69.7 -98.2 158.0 5.6 62.1 64.4 482 514 A P > - 0 0 24 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.088 32.3-131.3 -49.8 142.1 2.6 64.3 65.2 483 515 A E H > S+ 0 0 135 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.945 106.0 54.7 -60.0 -55.9 1.3 64.9 68.8 484 516 A P H > S+ 0 0 33 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 112.3 47.9 -46.9 -39.0 -2.4 64.1 68.1 485 517 A V H > S+ 0 0 0 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.955 109.8 50.3 -67.9 -51.4 -1.2 60.8 66.7 486 518 A V H X S+ 0 0 34 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.966 117.8 41.3 -47.0 -59.8 1.1 60.1 69.7 487 519 A E H X S+ 0 0 106 -4,-3.0 4,-2.6 2,-0.2 5,-0.5 0.980 113.5 48.8 -48.9 -77.0 -1.9 60.9 72.0 488 520 A A H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.817 115.6 50.0 -36.0 -42.3 -4.6 59.1 70.1 489 521 A I H X>S+ 0 0 7 -4,-2.9 5,-2.8 -5,-0.2 4,-0.8 0.991 118.4 33.0 -61.0 -64.9 -2.2 56.1 69.9 490 522 A T H <5S+ 0 0 91 -4,-3.1 3,-0.2 -5,-0.2 -2,-0.2 0.941 126.7 41.0 -62.4 -50.6 -1.2 55.9 73.6 491 523 A Q H <5S+ 0 0 105 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.984 117.6 45.9 -60.3 -60.4 -4.6 57.0 75.0 492 524 A G H <5S- 0 0 11 -4,-1.5 -1,-0.2 -5,-0.5 -2,-0.2 0.663 108.2-131.5 -56.2 -14.3 -6.7 55.0 72.5 493 525 A D T <5 + 0 0 73 -4,-0.8 2,-0.3 -3,-0.2 -3,-0.2 0.976 46.0 171.4 57.6 56.0 -4.3 52.2 73.3 494 526 A L < - 0 0 4 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.760 40.3-128.8-102.9 144.1 -3.8 51.5 69.6 495 527 A V - 0 0 1 -2,-0.3 -89,-2.5 19,-0.1 -88,-0.4 -0.833 35.4-148.2 -85.9 115.2 -1.3 49.2 68.0 496 528 A A - 0 0 0 -2,-0.7 20,-2.4 17,-0.5 2,-0.5 -0.637 2.9-141.4 -94.2 145.9 0.4 51.5 65.4 497 529 A V E -nq 408 516E 0 -90,-2.7 -88,-3.0 -2,-0.3 -87,-0.9 -0.905 8.0-163.5-112.8 128.9 1.7 50.3 62.0 498 530 A G E -nq 410 517E 0 18,-2.4 20,-2.8 -2,-0.5 2,-0.6 -0.954 10.4-155.6-108.9 120.7 4.8 51.5 60.3 499 531 A V E +nq 411 518E 0 -89,-3.1 -87,-2.8 -2,-0.5 2,-0.3 -0.862 21.0 174.1-101.2 119.8 5.1 50.7 56.6 500 532 A L E -nq 412 519E 6 18,-3.2 20,-2.8 -2,-0.6 2,-0.4 -0.837 24.2-157.8-124.9 157.1 8.6 50.5 55.2 501 533 A S E +n 413 0E 1 -89,-2.0 -87,-2.1 -2,-0.3 20,-0.1 -0.961 53.9 70.3-134.4 119.0 10.4 49.6 52.0 502 534 A G - 0 0 6 -2,-0.4 -86,-0.2 18,-0.3 -87,-0.1 -0.235 61.7-130.8 143.1 132.5 14.1 48.6 52.0 503 535 A N S S+ 0 0 86 -88,-0.2 2,-0.4 -2,-0.1 3,-0.3 0.412 75.3 102.7 -84.8 2.4 16.2 45.7 53.2 504 536 A R S S- 0 0 146 -89,-0.4 -90,-0.0 1,-0.2 0, 0.0 -0.737 94.6 -23.6 -93.1 133.4 18.8 47.9 55.0 505 537 A N + 0 0 99 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.851 66.3 169.9 38.5 73.3 18.8 48.2 58.8 506 538 A F S > S+ 0 0 15 -3,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.927 74.9 50.9 -74.4 -47.9 15.2 47.3 59.7 507 539 A E G > S+ 0 0 158 1,-0.3 3,-0.9 2,-0.1 -1,-0.2 0.785 103.0 62.4 -62.4 -28.4 15.6 47.1 63.4 508 540 A G G 3 S+ 0 0 46 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.276 106.4 43.0 -85.8 11.1 17.4 50.5 63.5 509 541 A R G < S+ 0 0 65 -3,-1.6 2,-0.6 2,-0.1 -1,-0.2 -0.037 73.1 127.9-147.5 34.3 14.4 52.4 62.2 510 542 A V < - 0 0 62 -3,-0.9 7,-0.1 7,-0.0 -3,-0.0 -0.864 57.3-132.1 -87.6 119.7 11.4 50.9 64.1 511 543 A H - 0 0 37 -2,-0.6 3,-0.1 1,-0.1 -13,-0.1 -0.397 6.6-131.7 -70.6 149.8 9.6 53.9 65.7 512 544 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.918 104.0 54.5 -69.8 -43.4 8.6 53.5 69.4 513 545 A N S S+ 0 0 38 2,-0.1 2,-0.6 -18,-0.1 -17,-0.5 0.718 97.2 77.4 -64.6 -22.2 5.0 54.6 69.0 514 546 A T - 0 0 6 1,-0.1 -17,-0.2 -3,-0.1 -19,-0.1 -0.815 54.9-178.7 -91.8 120.2 4.5 51.9 66.4 515 547 A R S S+ 0 0 91 -2,-0.6 2,-0.4 -19,-0.5 -18,-0.2 0.431 73.8 51.2 -96.0 -1.3 4.2 48.4 67.9 516 548 A A E + q 0 497E 0 -20,-2.4 -18,-2.4 -165,-0.0 2,-0.4 -0.997 63.9 179.9-135.0 134.0 3.9 46.9 64.4 517 549 A N E - q 0 498E 10 -165,-2.7 2,-0.4 -2,-0.4 -18,-0.2 -0.987 5.5-166.6-136.5 129.8 6.2 47.4 61.4 518 550 A Y E - q 0 499E 4 -20,-2.8 -18,-3.2 -2,-0.4 2,-0.5 -0.929 12.2-146.2-120.2 136.1 6.0 45.9 57.9 519 551 A L E +Mq 350 500E 24 -169,-2.5 -169,-2.1 -2,-0.4 2,-0.3 -0.853 35.7 150.6 -96.0 131.9 8.5 45.7 55.1 520 552 A A - 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