==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KINASE 05-AUG-97 1AQ2 . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.W.TARI,A.MATTE,H.GOLDIE,L.T.J.DELBAERE . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 2 2 0 1 0 2 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 1 2 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 . 4 2 6 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 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 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 4 A N > 0 0 85 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.5 57.4 -25.4 17.0 2 5 A N T 4 + 0 0 100 1,-0.2 2,-0.8 2,-0.1 6,-0.0 0.079 360.0 31.2 -43.4 146.5 55.5 -24.5 20.2 3 6 A G T 4 S- 0 0 70 155,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.738 119.3 -69.4 109.6 -84.0 55.5 -20.9 21.5 4 7 A L T 4 + 0 0 21 -2,-0.8 -1,-0.1 -3,-0.4 -2,-0.1 0.152 69.2 175.7 151.5 62.6 55.7 -18.7 18.4 5 8 A T >X - 0 0 35 -4,-0.9 3,-1.5 1,-0.1 4,-0.8 -0.348 46.5-108.0 -81.1 165.3 59.2 -19.2 17.1 6 9 A P H 3> S+ 0 0 37 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.812 119.5 66.1 -65.0 -26.8 60.6 -17.7 13.9 7 10 A Q H 34 S+ 0 0 116 1,-0.2 4,-0.2 2,-0.2 7,-0.0 0.588 95.6 57.5 -68.9 -12.0 60.4 -21.2 12.4 8 11 A E H X4 S+ 0 0 49 -3,-1.5 3,-0.7 2,-0.2 4,-0.3 0.786 103.4 50.5 -87.1 -32.5 56.6 -21.0 12.8 9 12 A L H ><>S+ 0 0 0 -4,-0.8 5,-1.8 -3,-0.5 3,-0.8 0.678 96.3 72.3 -76.1 -20.0 56.5 -17.8 10.6 10 13 A E G ><5S+ 0 0 106 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.748 86.6 64.2 -65.5 -25.1 58.6 -19.7 8.0 11 14 A A G < 5S+ 0 0 86 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 98.8 53.5 -66.4 -31.7 55.4 -21.8 7.2 12 15 A Y G < 5S- 0 0 35 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.509 128.5-102.3 -78.8 -7.5 53.8 -18.5 6.0 13 16 A G T < 5S+ 0 0 37 -3,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.552 78.4 137.1 97.2 9.0 56.8 -18.1 3.7 14 17 A I < - 0 0 0 -5,-1.8 -1,-0.3 -8,-0.1 2,-0.3 -0.744 33.5-165.9 -90.7 136.1 58.6 -15.4 5.9 15 18 A S + 0 0 51 92,-0.4 97,-2.6 -2,-0.4 98,-0.3 -0.830 53.9 18.8-124.3 162.1 62.4 -15.9 6.3 16 19 A D + 0 0 135 -2,-0.3 2,-0.8 95,-0.2 -1,-0.2 0.856 68.0 180.0 50.8 44.1 65.2 -14.6 8.4 17 20 A V + 0 0 13 -3,-0.2 -1,-0.2 95,-0.2 97,-0.1 -0.668 5.3 175.3 -78.0 111.8 62.9 -13.4 11.2 18 21 A H + 0 0 85 95,-0.8 2,-0.4 -2,-0.8 -1,-0.2 0.968 61.4 19.4 -78.9 -72.9 65.2 -11.9 13.8 19 22 A D - 0 0 79 94,-0.2 96,-2.2 -13,-0.0 2,-0.5 -0.847 62.3-164.8-108.1 135.2 63.1 -10.4 16.5 20 23 A I E -a 115 0A 29 -2,-0.4 2,-1.0 94,-0.2 96,-0.2 -0.975 6.0-160.7-120.8 115.8 59.4 -11.2 17.1 21 24 A V E -a 116 0A 10 94,-2.4 96,-2.3 -2,-0.5 2,-0.5 -0.805 20.0-164.2 -95.9 92.0 57.3 -8.9 19.3 22 25 A Y E -a 117 0A 70 -2,-1.0 96,-0.2 1,-0.2 94,-0.1 -0.718 61.1 -20.5 -87.5 122.9 54.4 -11.1 20.2 23 26 A N S S- 0 0 35 94,-2.8 -1,-0.2 -2,-0.5 95,-0.1 0.948 82.4-147.9 47.7 62.7 51.2 -9.6 21.7 24 27 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.272 9.0-122.3 -60.5 142.2 52.8 -6.3 22.8 25 28 A S > - 0 0 58 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.268 29.2-103.9 -74.3 171.4 51.4 -4.7 25.9 26 29 A Y H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 278,-0.1 0.815 122.5 53.1 -68.2 -30.0 50.1 -1.1 25.7 27 30 A D H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.860 107.8 49.3 -71.2 -39.7 53.2 0.2 27.4 28 31 A L H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.962 112.4 48.7 -62.8 -50.8 55.5 -1.6 24.9 29 32 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.841 107.4 57.5 -56.7 -37.7 53.5 -0.1 22.0 30 33 A Y H X S+ 0 0 66 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.930 110.9 39.7 -62.3 -48.7 53.7 3.3 23.7 31 34 A Q H < S+ 0 0 139 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.815 112.5 57.8 -72.1 -29.5 57.5 3.4 23.8 32 35 A E H >< S+ 0 0 25 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.903 108.1 46.0 -64.5 -42.3 57.8 1.8 20.3 33 36 A E H 3< S+ 0 0 3 -4,-2.1 11,-1.7 1,-0.2 -1,-0.2 0.749 113.2 48.4 -73.6 -28.0 55.7 4.6 18.7 34 37 A L T 3< S+ 0 0 47 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.403 75.4 135.2 -94.2 0.0 57.6 7.4 20.4 35 38 A D X - 0 0 60 -3,-0.7 3,-0.9 -4,-0.4 9,-0.2 -0.327 54.0-143.1 -52.0 117.5 61.0 6.1 19.6 36 39 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.685 95.9 69.0 -58.7 -20.7 63.0 9.2 18.3 37 40 A S T 3 S+ 0 0 90 2,-0.0 6,-0.1 6,-0.0 -2,-0.1 0.929 76.1 106.0 -63.3 -47.6 64.7 7.0 15.8 38 41 A L < - 0 0 38 -3,-0.9 2,-0.3 -6,-0.2 -5,-0.0 0.087 50.6-169.2 -40.8 135.1 61.5 6.5 13.8 39 42 A T > - 0 0 105 4,-0.0 3,-1.1 0, 0.0 4,-0.2 -0.892 44.0 -2.4-127.0 158.2 61.1 8.3 10.4 40 43 A G G > S- 0 0 61 -2,-0.3 3,-1.4 1,-0.2 15,-0.1 -0.271 122.6 -13.0 66.2-146.9 58.2 8.9 8.0 41 44 A Y G 3 S+ 0 0 88 1,-0.3 14,-0.4 13,-0.1 -1,-0.2 0.582 126.9 69.2 -67.4 -12.9 54.8 7.4 8.6 42 45 A E G < S+ 0 0 40 -3,-1.1 98,-0.3 12,-0.1 2,-0.3 0.730 80.4 100.9 -76.2 -22.4 56.0 5.1 11.3 43 46 A R < - 0 0 147 -3,-1.4 12,-0.4 -4,-0.2 2,-0.2 -0.449 55.3-166.5 -71.7 126.6 56.6 8.1 13.5 44 47 A G - 0 0 7 -11,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.696 5.5-149.0-107.3 160.1 54.0 8.9 16.2 45 48 A V E -I 53 0B 33 8,-1.9 8,-2.7 -2,-0.2 2,-0.4 -0.955 15.5-120.4-128.8 151.6 53.7 12.1 18.2 46 49 A L E -I 52 0B 83 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.791 26.6-156.1 -95.0 131.5 52.4 12.8 21.7 47 50 A T > - 0 0 7 4,-2.1 3,-2.2 -2,-0.4 270,-0.2 -0.590 33.2-104.4-101.4 165.5 49.4 15.1 22.2 48 51 A N T 3 S+ 0 0 93 268,-1.8 269,-0.1 1,-0.3 -1,-0.1 0.541 119.1 63.2 -65.5 -7.3 48.4 17.1 25.3 49 52 A L T 3 S- 0 0 36 267,-0.3 254,-0.4 2,-0.3 -1,-0.3 0.360 116.9-111.6 -96.1 2.0 45.7 14.5 25.9 50 53 A G S < S+ 0 0 26 -3,-2.2 2,-0.3 1,-0.3 254,-0.3 0.496 81.6 119.4 82.3 1.3 48.3 11.8 26.5 51 54 A A - 0 0 0 252,-0.2 -4,-2.1 250,-0.2 2,-0.4 -0.775 62.5-125.3-100.7 146.4 47.3 10.0 23.3 52 55 A V E -Ij 46 306B 3 253,-0.9 255,-2.1 -2,-0.3 2,-0.4 -0.736 20.4-152.7 -92.3 138.7 49.7 9.4 20.4 53 56 A A E -Ij 45 307B 7 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.2 -0.917 12.6-175.0-113.5 135.9 48.8 10.5 16.9 54 57 A V E - j 0 308B 4 253,-2.3 255,-2.4 -2,-0.4 2,-0.5 -0.774 23.8-124.1-122.8 167.8 50.0 9.0 13.6 55 58 A D - 0 0 68 -14,-0.4 3,-0.1 -12,-0.4 253,-0.0 -0.961 9.3-154.1-111.9 129.1 49.7 9.7 9.9 56 59 A T - 0 0 0 -2,-0.5 147,-0.6 1,-0.3 3,-0.5 0.413 40.1-132.1 -84.6 4.1 48.4 6.9 7.8 57 60 A G - 0 0 4 1,-0.2 -1,-0.3 146,-0.1 145,-0.1 -0.621 60.3 -17.1 90.2-144.8 50.2 8.3 4.7 58 61 A I S S+ 0 0 132 -2,-0.3 2,-0.8 1,-0.1 -1,-0.2 0.902 126.1 67.9 -67.7 -42.4 48.7 8.9 1.3 59 62 A F + 0 0 41 -3,-0.5 145,-0.2 142,-0.2 144,-0.1 -0.717 52.0 165.9 -85.6 111.5 45.7 6.6 2.0 60 63 A T + 0 0 30 -2,-0.8 2,-0.3 2,-0.1 -1,-0.1 0.036 69.4 16.6-112.2 25.0 43.5 8.2 4.6 61 64 A G S S- 0 0 19 -5,-0.1 143,-0.2 265,-0.0 146,-0.1 -0.953 101.0 -55.8-176.7 173.3 40.6 5.9 3.9 62 65 A R - 0 0 97 -2,-0.3 -2,-0.1 144,-0.1 143,-0.0 -0.172 36.5-144.1 -62.5 162.7 39.8 2.5 2.3 63 66 A S > + 0 0 13 1,-0.1 3,-1.5 -4,-0.1 4,-0.1 -0.793 20.0 175.7-132.3 83.5 40.6 1.8 -1.4 64 67 A P G > S+ 0 0 46 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.765 77.0 66.1 -60.4 -27.8 37.7 -0.4 -2.8 65 68 A K G 3 S+ 0 0 116 1,-0.3 118,-0.3 118,-0.0 119,-0.1 0.666 101.8 49.8 -68.9 -17.5 39.2 -0.2 -6.3 66 69 A D G < S+ 0 0 3 -3,-1.5 122,-2.2 117,-0.1 2,-0.4 0.293 85.3 111.0-104.2 8.6 42.2 -2.2 -5.0 67 70 A K E < +b 188 0A 14 -3,-1.3 25,-0.8 120,-0.2 2,-0.3 -0.709 40.8 170.0 -88.6 129.8 40.2 -5.0 -3.2 68 71 A Y E -bc 189 92A 13 120,-2.1 122,-1.7 -2,-0.4 2,-0.4 -0.979 21.7-156.8-138.8 149.5 40.3 -8.4 -4.8 69 72 A I E -bc 190 93A 0 23,-2.8 25,-1.1 -2,-0.3 122,-0.2 -0.998 30.7-114.4-128.5 127.2 39.1 -11.9 -3.8 70 73 A V E - c 0 94A 0 120,-2.8 2,-0.8 -2,-0.4 122,-0.3 -0.381 24.2-141.5 -62.0 128.5 40.8 -15.0 -5.2 71 74 A R + 0 0 67 23,-2.6 2,-0.2 -2,-0.1 -1,-0.1 -0.860 45.8 130.3 -97.2 109.4 38.4 -17.0 -7.4 72 75 A D S > S- 0 0 22 -2,-0.8 4,-2.0 23,-0.1 3,-0.1 -0.653 74.7 -66.1-137.5-164.4 38.9 -20.7 -6.8 73 76 A D T 4 S+ 0 0 132 -2,-0.2 4,-0.2 1,-0.2 -2,-0.0 0.593 128.4 50.5 -70.4 -8.7 36.9 -23.8 -6.0 74 77 A T T 4 S+ 0 0 71 2,-0.1 -1,-0.2 3,-0.0 -3,-0.1 0.838 121.7 26.1 -94.6 -39.6 36.0 -22.5 -2.6 75 78 A T T >> S+ 0 0 0 -5,-0.2 4,-2.4 3,-0.1 3,-0.8 0.603 98.0 88.8 -99.6 -18.3 34.7 -19.0 -3.4 76 79 A R T 3< S+ 0 0 101 -4,-2.0 5,-0.2 1,-0.2 -3,-0.1 0.902 96.0 30.8 -49.4 -59.1 33.5 -19.4 -7.0 77 80 A D T 34 S+ 0 0 144 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.400 125.8 42.7 -86.7 3.9 29.9 -20.5 -6.6 78 81 A T T <4 S+ 0 0 56 -3,-0.8 -2,-0.2 -4,-0.0 -1,-0.1 0.733 89.3 92.7-117.3 -34.5 29.2 -18.7 -3.3 79 82 A F S < S- 0 0 11 -4,-2.4 2,-1.3 1,-0.1 332,-0.2 -0.206 75.2-122.6 -67.3 151.1 30.7 -15.2 -3.6 80 83 A W - 0 0 11 330,-1.7 11,-0.3 329,-0.0 2,-0.2 -0.733 41.9-159.7 -93.3 83.5 28.9 -12.1 -4.8 81 84 A W > - 0 0 2 -2,-1.3 3,-1.4 -5,-0.2 11,-0.2 -0.432 22.6-136.1 -70.4 141.8 31.3 -11.3 -7.7 82 85 A A T 3 S+ 0 0 37 9,-2.1 7,-0.1 1,-0.3 10,-0.1 0.689 106.4 48.4 -69.5 -20.7 31.6 -7.9 -9.3 83 86 A D T 3 S+ 0 0 84 8,-0.3 -1,-0.3 5,-0.1 2,-0.2 0.208 95.6 97.3-102.9 9.5 31.7 -9.4 -12.8 84 87 A K S < S- 0 0 88 -3,-1.4 -4,-0.0 3,-0.2 0, 0.0 -0.476 94.6 -96.1 -93.7 170.9 28.7 -11.7 -12.2 85 88 A G S S+ 0 0 87 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.781 100.2 89.8 -56.0 -25.7 25.1 -11.0 -13.2 86 89 A K S S- 0 0 116 -5,-0.2 -2,-0.2 1,-0.1 3,-0.2 -0.261 87.5 -53.2 -75.3 160.9 24.5 -9.8 -9.7 87 90 A G - 0 0 27 1,-0.2 2,-0.5 431,-0.1 -3,-0.2 0.569 62.4 -77.5 -27.5 165.4 24.8 -6.2 -8.4 88 91 A K + 0 0 184 -5,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.596 68.0 140.1 -74.6 117.0 27.6 -3.6 -8.5 89 92 A N - 0 0 18 -2,-0.5 318,-0.1 -3,-0.2 317,-0.0 -0.836 60.2-110.6-147.1-177.7 30.3 -4.3 -5.9 90 93 A D S S+ 0 0 38 316,-0.3 2,-2.2 -2,-0.2 -9,-0.1 0.236 73.4 117.1-104.4 9.8 34.0 -4.4 -5.2 91 94 A N - 0 0 1 -11,-0.3 -9,-2.1 318,-0.1 -8,-0.3 -0.481 46.6-179.5 -80.2 70.9 34.5 -8.1 -5.0 92 95 A K E -c 68 0A 46 -2,-2.2 -23,-2.8 -25,-0.8 -2,-0.1 -0.541 27.0-116.2 -75.7 131.5 36.8 -8.3 -8.0 93 96 A P E -c 69 0A 43 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.355 29.9-168.6 -69.6 149.3 38.1 -11.8 -9.0 94 97 A L E -c 70 0A 8 -25,-1.1 -23,-2.6 96,-0.1 -26,-0.0 -0.998 20.2-121.2-139.5 138.1 41.8 -12.6 -8.8 95 98 A S > - 0 0 46 -2,-0.3 4,-1.5 -25,-0.2 -23,-0.1 -0.448 21.6-122.5 -78.2 151.7 43.6 -15.7 -10.1 96 99 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 112.4 58.8 -60.3 -33.4 45.6 -17.9 -7.7 97 100 A E H > S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.935 106.1 43.8 -62.3 -50.0 48.6 -17.2 -9.8 98 101 A T H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.795 110.9 59.0 -66.6 -26.5 48.6 -13.5 -9.3 99 102 A W H X S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.970 103.9 48.8 -63.5 -54.8 47.8 -14.2 -5.7 100 103 A Q H X S+ 0 0 128 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.795 110.4 52.9 -55.2 -32.4 51.1 -16.2 -5.3 101 104 A H H X S+ 0 0 62 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.934 111.5 44.3 -69.0 -48.1 52.9 -13.3 -6.9 102 105 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.857 111.1 55.2 -63.6 -36.1 51.4 -10.8 -4.5 103 106 A K H X S+ 0 0 47 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.888 104.2 54.7 -65.5 -37.0 52.1 -13.2 -1.6 104 107 A G H X S+ 0 0 17 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.862 106.0 51.8 -64.7 -36.2 55.8 -13.3 -2.6 105 108 A L H X S+ 0 0 23 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.878 113.8 44.0 -68.0 -37.7 56.0 -9.5 -2.5 106 109 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.977 113.5 45.9 -73.7 -54.7 54.6 -9.4 1.1 107 110 A T H < S+ 0 0 16 -4,-2.6 -92,-0.4 1,-0.2 4,-0.4 0.875 114.5 50.5 -56.9 -37.3 56.5 -12.3 2.7 108 111 A R H >< S+ 0 0 165 -4,-1.6 3,-0.9 -5,-0.3 -1,-0.2 0.898 108.6 51.9 -66.7 -41.8 59.8 -11.0 1.1 109 112 A Q H 3< S+ 0 0 46 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 113.1 45.2 -65.1 -28.4 59.0 -7.5 2.5 110 113 A L T >< S+ 0 0 0 -4,-1.7 3,-0.7 -3,-0.1 -1,-0.2 0.421 92.7 105.7 -95.9 -0.7 58.5 -9.0 5.9 111 114 A S T < S+ 0 0 31 -3,-0.9 -95,-0.2 -4,-0.4 -94,-0.1 -0.502 81.3 15.7 -80.1 147.2 61.6 -11.2 5.8 112 115 A G 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18.8 13.8 17.5 451 456 A R H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.880 107.7 53.9 -68.3 -36.3 19.5 12.3 21.0 452 457 A A H X S+ 0 0 20 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.883 107.6 50.8 -63.6 -38.9 16.0 13.4 22.1 453 458 A I H X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.871 108.5 51.3 -67.2 -37.6 14.5 11.5 19.2 454 459 A I H X S+ 0 0 4 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.889 108.3 52.2 -67.2 -38.0 16.4 8.4 20.0 455 460 A D H X S+ 0 0 42 -4,-2.1 4,-3.1 1,-0.2 6,-0.2 0.918 106.9 52.6 -62.5 -44.1 15.2 8.5 23.6 456 461 A A H < S+ 0 0 1 -4,-1.9 6,-1.8 1,-0.2 7,-0.4 0.807 112.1 46.1 -61.6 -32.8 11.6 8.8 22.5 457 462 A I H >< S+ 0 0 0 -4,-1.3 3,-0.6 4,-0.2 -1,-0.2 0.913 116.4 44.7 -75.4 -43.4 12.1 5.7 20.3 458 463 A L H 3< S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.822 113.0 49.3 -72.5 -30.6 13.8 3.8 23.1 459 464 A N T 3< S- 0 0 105 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.480 110.2-117.1 -88.4 -3.5 11.4 4.7 25.9 460 465 A G S X> S+ 0 0 12 -3,-0.6 4,-1.2 -4,-0.3 3,-0.5 0.227 82.6 118.1 90.5 -14.5 8.3 3.8 23.8 461 466 A S T 34 S+ 0 0 31 1,-0.2 4,-0.3 -6,-0.2 -4,-0.2 0.682 76.0 55.4 -60.5 -17.2 6.7 7.3 23.7 462 467 A L T >4 S+ 0 0 5 -6,-1.8 3,-0.8 2,-0.2 -1,-0.2 0.877 103.0 53.8 -80.6 -39.9 7.1 7.2 19.9 463 468 A D T <4 S+ 0 0 45 -3,-0.5 -2,-0.2 -7,-0.4 -1,-0.2 0.731 112.6 44.7 -64.5 -25.2 5.1 3.9 19.7 464 469 A N T 3< S+ 0 0 140 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.502 92.5 108.7 -97.2 -7.5 2.2 5.5 21.6 465 470 A A S < S- 0 0 24 -3,-0.8 2,-0.4 -4,-0.3 16,-0.1 -0.283 76.9-110.6 -70.2 154.0 2.3 8.7 19.7 466 471 A E - 0 0 145 14,-0.1 13,-2.5 -2,-0.0 14,-0.4 -0.730 42.9-164.0 -83.9 132.9 -0.4 9.6 17.2 467 472 A T E -W 478 0D 55 -2,-0.4 2,-0.3 11,-0.2 9,-0.1 -0.869 17.1-163.6-124.2 156.2 0.9 9.5 13.7 468 473 A F E -W 477 0D 74 9,-2.3 9,-2.7 -2,-0.3 2,-0.5 -0.915 33.4 -99.0-129.5 158.5 -0.1 10.7 10.2 469 474 A T E -W 476 0D 90 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.676 23.5-140.2 -86.8 125.4 1.2 9.7 6.8 470 475 A L E >> -W 475 0D 0 5,-2.9 4,-1.4 -2,-0.5 5,-0.9 -0.702 34.3-114.0 -81.1 126.5 3.8 11.7 4.9 471 476 A P T 45S+ 0 0 49 0, 0.0 2,-2.0 0, 0.0 4,-0.1 -0.177 87.0 12.6 -61.7 152.1 2.9 11.8 1.2 472 477 A M T 45S+ 0 0 21 1,-0.2 62,-1.5 62,-0.1 -2,-0.0 -0.403 132.3 45.3 80.7 -59.8 4.9 10.1 -1.6 473 478 A F T 45S- 0 0 3 -2,-2.0 -1,-0.2 60,-0.2 62,-0.1 0.671 98.1-141.4 -85.6 -17.4 7.1 8.1 0.8 474 479 A N T <5 + 0 0 77 -4,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.911 38.1 165.5 56.8 50.3 4.1 7.0 2.9 475 480 A L E < - W 0 470D 0 -5,-0.9 -5,-2.9 -4,-0.1 2,-1.0 -0.827 39.9-127.7-104.1 132.0 5.9 7.3 6.2 476 481 A A E -VW 370 469D 27 -106,-0.9 -106,-2.0 -2,-0.4 -7,-0.2 -0.659 36.0-177.5 -77.7 103.2 4.1 7.3 9.5 477 482 A I E - W 0 468D 0 -9,-2.7 -9,-2.3 -2,-1.0 -108,-0.1 -0.858 26.0-107.5-109.0 141.2 5.4 10.4 11.3 478 483 A P E - W 0 467D 2 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.222 9.0-141.9 -63.7 149.8 4.4 11.6 14.9 479 484 A T S S- 0 0 50 -13,-2.5 2,-0.3 1,-0.3 -12,-0.1 0.809 85.7 -10.6 -78.0 -33.7 2.2 14.6 15.6 480 485 A E - 0 0 131 -14,-0.4 -1,-0.3 -18,-0.1 -14,-0.1 -0.977 62.7-158.5-161.3 160.3 4.4 15.5 18.6 481 486 A L > - 0 0 11 3,-0.4 3,-1.2 -2,-0.3 2,-0.2 -0.992 29.7-102.8-150.8 139.3 7.2 14.0 20.7 482 487 A P T 3 S+ 0 0 81 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.391 103.8 11.0 -63.1 126.9 8.6 14.7 24.2 483 488 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -2,-0.2 -31,-0.1 0.175 111.2 88.8 92.7 -19.1 11.8 16.7 24.2 484 489 A V S < S- 0 0 15 -3,-1.2 2,-0.4 -32,-0.1 -3,-0.4 -0.814 82.1-100.5-117.5 156.6 11.7 17.8 20.6 485 490 A D > - 0 0 102 -2,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.590 22.5-145.4 -74.6 124.7 10.3 20.7 18.6 486 491 A T G >> S+ 0 0 69 -2,-0.4 3,-1.0 1,-0.3 4,-0.6 0.780 92.8 70.8 -59.6 -29.8 7.0 19.8 16.8 487 492 A K G 34 S+ 0 0 29 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.801 97.7 47.8 -59.7 -31.0 7.9 22.1 13.9 488 493 A I G <4 S+ 0 0 28 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.589 91.2 79.4 -88.4 -10.7 10.7 19.8 12.7 489 494 A L T <4 S+ 0 0 3 -3,-1.0 -121,-0.3 -4,-0.5 -1,-0.2 0.797 92.0 53.9 -66.6 -30.5 8.7 16.5 12.8 490 495 A D S >< S- 0 0 21 -4,-0.6 3,-2.2 -3,-0.4 4,-0.5 -0.925 79.3-152.8-107.2 106.1 7.0 17.4 9.5 491 496 A P G > S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 -51,-0.5 0.768 91.6 66.5 -48.7 -28.9 9.8 18.1 7.0 492 497 A R G > S+ 0 0 65 1,-0.2 3,-1.3 2,-0.2 9,-0.2 0.796 89.2 64.4 -66.8 -27.8 7.5 20.4 5.1 493 498 A N G < S+ 0 0 97 -3,-2.2 -1,-0.2 1,-0.3 -5,-0.1 0.724 91.4 64.8 -68.9 -20.8 7.4 22.9 8.0 494 499 A T G < S+ 0 0 28 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.3 0.360 92.8 75.5 -84.5 2.9 11.1 23.7 7.6 495 500 A Y S < S- 0 0 20 -3,-1.3 -54,-0.1 1,-0.1 -55,-0.0 -0.825 85.4-123.2-112.4 156.0 10.6 25.2 4.1 496 501 A A S S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.916 102.2 15.3 -63.1 -42.2 9.1 28.6 3.2 497 502 A S S >> S- 0 0 46 -3,-0.1 3,-1.9 1,-0.0 4,-0.8 -0.991 74.8-128.7-133.9 139.1 6.4 26.9 1.1 498 503 A P H 3> S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.629 105.5 74.5 -61.9 -10.1 5.5 23.2 1.1 499 504 A E H 3> S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.825 89.5 55.8 -70.8 -31.9 6.0 23.4 -2.7 500 505 A Q H <> S+ 0 0 78 -3,-1.9 4,-1.9 2,-0.2 5,-0.2 0.926 108.8 47.2 -64.4 -45.0 9.7 23.5 -2.2 501 506 A W H X S+ 0 0 2 -4,-0.8 4,-3.0 1,-0.2 -2,-0.2 0.941 109.3 55.6 -59.6 -48.4 9.5 20.2 -0.3 502 507 A Q H X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.898 107.7 46.7 -50.7 -52.6 7.3 18.7 -3.0 503 508 A E H X S+ 0 0 139 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.929 116.3 43.8 -59.7 -48.2 9.7 19.4 -5.8 504 509 A K H X S+ 0 0 68 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.863 110.9 56.5 -66.6 -35.0 12.7 18.0 -4.0 505 510 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.883 104.7 51.4 -64.9 -38.6 10.7 15.1 -2.7 506 511 A E H X S+ 0 0 67 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.875 109.1 51.3 -66.7 -36.3 9.8 14.0 -6.3 507 512 A T H X S+ 0 0 67 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.962 113.3 44.0 -63.6 -51.8 13.5 14.1 -7.2 508 513 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.924 111.2 53.5 -60.0 -47.4 14.4 11.9 -4.3 509 514 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.896 107.7 51.9 -55.2 -42.8 11.5 9.5 -4.9 510 515 A K H X S+ 0 0 120 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.893 107.5 51.7 -62.1 -41.6 12.6 9.1 -8.5 511 516 A L H X S+ 0 0 50 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.934 110.3 49.3 -60.3 -46.3 16.2 8.2 -7.4 512 517 A F H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.917 112.6 47.2 -58.3 -47.4 14.9 5.6 -5.0 513 518 A I H X S+ 0 0 71 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.931 112.2 49.2 -62.1 -46.5 12.7 4.0 -7.7 514 519 A D H < S+ 0 0 123 -4,-2.8 4,-0.3 1,-0.2 3,-0.2 0.901 114.5 47.0 -60.1 -40.6 15.5 4.0 -10.2 515 520 A N H >< S+ 0 0 24 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.893 108.8 51.2 -69.3 -44.0 17.8 2.4 -7.7 516 521 A F H >X S+ 0 0 4 -4,-2.6 3,-2.4 1,-0.2 4,-0.7 0.693 87.7 86.5 -70.3 -16.2 15.4 -0.3 -6.4 517 522 A D G >< S+ 0 0 104 -4,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.788 78.4 63.4 -54.7 -32.2 14.7 -1.5 -10.0 518 523 A K G <4 S+ 0 0 104 -3,-1.0 -1,-0.3 -4,-0.3 3,-0.3 0.599 101.2 53.0 -71.3 -9.3 17.7 -3.8 -10.0 519 524 A Y G X4 S+ 0 0 13 -3,-2.4 3,-1.2 1,-0.2 6,-0.3 0.637 84.3 83.9 -98.1 -17.1 16.1 -5.8 -7.2 520 525 A T T << + 0 0 40 -3,-0.8 6,-0.2 -4,-0.7 -1,-0.2 0.398 60.6 97.3 -68.8 4.0 12.8 -6.4 -8.9 521 526 A D T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.884 81.7 55.3 -60.1 -37.6 14.3 -9.4 -10.8 522 527 A T S <> S- 0 0 56 -3,-1.2 4,-2.5 1,-0.1 5,-0.2 -0.691 90.7-120.8 -98.5 149.8 12.8 -11.7 -8.2 523 528 A P H > S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.846 112.6 55.3 -53.8 -39.9 9.1 -11.8 -7.2 524 529 A A H > S+ 0 0 67 2,-0.2 4,-1.4 1,-0.2 -4,-0.1 0.920 113.0 40.4 -62.1 -45.6 9.9 -10.9 -3.6 525 530 A G H > S+ 0 0 5 -6,-0.3 4,-0.6 2,-0.2 -5,-0.2 0.833 113.6 53.3 -72.6 -34.2 11.8 -7.8 -4.6 526 531 A A H < S+ 0 0 40 -4,-2.5 3,-0.4 -7,-0.2 4,-0.3 0.799 107.7 53.0 -69.6 -28.8 9.2 -6.9 -7.2 527 532 A A H >< S+ 0 0 69 -4,-1.8 3,-1.3 -5,-0.2 4,-0.2 0.870 102.0 60.2 -71.8 -36.8 6.6 -7.2 -4.5 528 533 A L H >< S+ 0 0 12 -4,-1.4 3,-1.8 1,-0.2 4,-0.4 0.647 80.2 83.6 -65.8 -18.4 8.5 -4.8 -2.3 529 534 A V G >< S+ 0 0 70 -4,-0.6 3,-1.4 -3,-0.4 -1,-0.2 0.832 84.0 61.9 -56.7 -29.5 8.3 -2.0 -4.9 530 535 A A G < S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.781 96.8 58.7 -65.6 -27.4 4.9 -1.3 -3.4 531 536 A A G < S+ 0 0 15 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.523 98.8 79.8 -79.7 -6.2 6.7 -0.5 -0.1 532 537 A G S < S- 0 0 4 -3,-1.4 -60,-0.1 -4,-0.4 -23,-0.0 -0.312 95.5 -64.0 -95.1-179.2 8.7 2.2 -1.8 533 538 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -60,-0.2 -0.082 46.7-163.3 -58.3 162.8 7.9 5.9 -2.8 534 539 A K 0 0 53 -62,-1.5 -60,-0.1 -3,-0.1 -62,-0.1 -0.956 360.0 360.0-154.6 129.1 5.2 6.6 -5.4 535 540 A L 0 0 112 -2,-0.3 -63,-0.0 -26,-0.1 -29,-0.0 -0.487 360.0 360.0 -79.0 360.0 4.6 9.8 -7.4