==== 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 08-SEP-95 1OEN . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.MATTE,H.GOLDIE,R.M.SWEET,L.T.J.DELBAERE . 524 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 2 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 1 4 5 2 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 6 A G 0 0 103 0, 0.0 2,-0.3 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 161.7 47.1 34.8 33.6 2 7 A L - 0 0 20 113,-0.1 16,-0.1 16,-0.0 18,-0.1 -0.859 360.0-130.2-116.6 151.9 43.6 33.5 34.1 3 8 A T >> - 0 0 66 -2,-0.3 3,-0.9 1,-0.1 4,-0.8 -0.501 26.0-111.4 -92.8 164.0 40.3 34.4 32.4 4 9 A P H >> S+ 0 0 48 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.860 115.4 65.5 -61.5 -34.5 36.9 35.3 33.9 5 10 A Q H 3> S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.841 93.9 59.0 -58.3 -33.8 35.6 32.0 32.6 6 11 A E H X4 S+ 0 0 88 -3,-0.9 3,-0.7 1,-0.2 -1,-0.2 0.878 104.6 49.2 -65.8 -35.1 37.8 30.1 35.0 7 12 A L H X<>S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.6 5,-1.1 0.786 99.4 66.1 -74.9 -26.0 36.3 31.8 38.0 8 13 A E H ><5S+ 0 0 84 -4,-1.3 3,-1.0 1,-0.3 -1,-0.2 0.689 85.0 72.8 -69.7 -16.2 32.8 31.1 36.9 9 14 A A T <<5S+ 0 0 85 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.780 96.0 52.6 -66.6 -24.1 33.5 27.4 37.4 10 15 A Y T < 5S- 0 0 36 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.519 129.6 -95.2 -88.2 -9.6 33.3 28.2 41.1 11 16 A G T < 5S+ 0 0 45 -3,-1.0 -3,-0.2 1,-0.4 2,-0.2 0.314 82.8 131.5 113.0 -6.5 29.9 29.8 40.9 12 17 A I < - 0 0 2 -5,-1.1 -1,-0.4 96,-0.1 2,-0.3 -0.513 33.8-175.3 -78.2 142.1 31.0 33.5 40.5 13 18 A S + 0 0 64 92,-0.4 97,-2.2 -2,-0.2 98,-0.3 -0.903 52.1 32.0-136.9 167.5 29.4 35.5 37.7 14 19 A D S S- 0 0 103 -2,-0.3 2,-0.7 95,-0.2 -1,-0.2 0.874 70.7-168.1 54.7 45.4 29.6 38.9 36.0 15 20 A V - 0 0 18 95,-0.2 -1,-0.2 1,-0.2 97,-0.1 -0.499 7.8-170.9 -69.2 108.1 33.4 39.1 36.8 16 21 A H - 0 0 123 95,-1.1 2,-0.3 -2,-0.7 96,-0.2 0.962 61.4 -16.2 -66.0 -54.5 34.3 42.7 36.0 17 22 A D E -a 112 0A 81 94,-0.8 96,-2.8 -13,-0.0 2,-0.4 -0.990 56.7-150.3-156.2 143.1 38.1 42.7 36.2 18 23 A I E -a 113 0A 30 -2,-0.3 2,-0.7 94,-0.2 96,-0.2 -0.963 2.1-162.1-120.9 132.6 40.7 40.3 37.6 19 24 A V E -a 114 0A 19 94,-2.6 96,-2.1 -2,-0.4 2,-0.4 -0.949 21.2-159.0-114.6 100.0 44.1 41.3 39.0 20 25 A Y E -a 115 0A 53 -2,-0.7 96,-0.2 1,-0.2 94,-0.0 -0.725 63.3 -19.6 -83.9 133.3 46.1 38.0 38.9 21 26 A N S S- 0 0 33 94,-2.8 -1,-0.2 -2,-0.4 95,-0.1 0.863 83.8-152.7 30.7 66.4 49.2 37.6 41.2 22 27 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.290 10.2-117.7 -63.9 146.7 49.7 41.4 41.7 23 28 A S > - 0 0 62 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.332 26.8-107.2 -77.4 167.9 53.2 42.7 42.4 24 29 A Y H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.848 121.3 59.3 -64.2 -32.6 54.1 44.5 45.6 25 30 A D H > S+ 0 0 120 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 108.3 43.0 -59.7 -48.8 54.2 47.7 43.6 26 31 A L H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 111.8 53.3 -64.6 -47.7 50.6 47.3 42.5 27 32 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.860 105.4 54.8 -57.2 -39.8 49.3 46.2 45.9 28 33 A Y H X S+ 0 0 29 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.939 111.4 44.7 -60.0 -46.7 50.9 49.3 47.5 29 34 A Q H < S+ 0 0 115 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.916 112.9 51.0 -63.9 -45.4 49.0 51.6 45.0 30 35 A E H >< S+ 0 0 36 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.907 107.4 52.8 -59.2 -45.6 45.7 49.6 45.5 31 36 A E H 3< S+ 0 0 5 -4,-2.6 11,-0.6 1,-0.3 -1,-0.2 0.754 107.1 52.7 -63.7 -27.4 45.8 49.9 49.3 32 37 A L T 3< S+ 0 0 56 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.337 73.5 132.5 -92.3 5.5 46.2 53.6 49.2 33 38 A D X - 0 0 63 -3,-1.5 3,-1.6 -4,-0.2 9,-0.2 -0.440 54.0-144.1 -60.5 120.1 43.2 54.2 47.0 34 39 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.591 91.7 70.8 -63.5 -14.1 41.4 57.1 48.7 35 40 A S T 3 S+ 0 0 83 2,-0.0 2,-0.2 6,-0.0 -2,-0.1 0.486 75.9 106.0 -82.7 -3.5 37.9 55.7 47.7 36 41 A L < - 0 0 32 -3,-1.6 2,-0.3 4,-0.1 6,-0.1 -0.549 49.6-176.5 -78.8 142.6 38.3 52.8 50.2 37 42 A T > + 0 0 90 -2,-0.2 3,-1.7 4,-0.1 4,-0.4 -0.817 41.1 3.2-132.4 171.7 36.3 52.9 53.4 38 43 A G G > S- 0 0 41 -2,-0.3 3,-1.6 1,-0.3 15,-0.2 -0.138 127.1 -9.7 54.6-140.9 35.9 50.9 56.6 39 44 A Y G 3 S+ 0 0 86 1,-0.3 14,-0.3 13,-0.1 -1,-0.3 0.596 131.4 65.2 -67.0 -11.5 38.2 47.8 57.0 40 45 A E G < S+ 0 0 34 -3,-1.7 -1,-0.3 12,-0.1 98,-0.2 0.697 78.8 107.7 -80.9 -23.1 39.4 48.1 53.4 41 46 A R < - 0 0 132 -3,-1.6 12,-0.5 -4,-0.4 2,-0.4 -0.272 54.5-159.5 -60.0 138.6 41.0 51.5 54.1 42 47 A G - 0 0 16 -11,-0.6 2,-0.4 -9,-0.2 10,-0.2 -0.938 2.2-158.3-121.5 146.1 44.8 51.5 54.3 43 48 A V E -I 51 0B 68 8,-2.4 8,-2.4 -2,-0.4 2,-0.3 -0.986 16.5-127.6-128.9 132.6 47.1 54.1 56.0 44 49 A L E -I 50 0B 78 -2,-0.4 2,-0.2 6,-0.2 6,-0.2 -0.580 26.1-154.9 -78.2 133.7 50.8 54.9 55.3 45 50 A T > - 0 0 8 4,-2.1 3,-1.8 -2,-0.3 270,-0.1 -0.644 29.9-106.6-103.7 167.4 53.1 54.8 58.4 46 51 A N T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 269,-0.0 0.685 117.3 62.0 -66.8 -17.4 56.4 56.6 59.0 47 52 A L T 3 S- 0 0 43 2,-0.2 254,-0.3 253,-0.1 -1,-0.3 0.482 117.7-109.9 -86.8 -2.4 58.2 53.3 58.6 48 53 A G S < S+ 0 0 21 -3,-1.8 254,-0.2 1,-0.3 2,-0.2 0.239 81.2 116.6 95.9 -14.9 57.0 53.0 55.0 49 54 A A - 0 0 0 252,-0.2 -4,-2.1 250,-0.1 -1,-0.3 -0.519 65.7-117.9 -87.4 155.2 54.6 50.1 55.6 50 55 A V E -Ij 44 304B 3 253,-1.0 255,-2.7 -6,-0.2 2,-0.4 -0.713 26.5-155.0 -90.8 142.9 50.9 50.2 55.1 51 56 A A E -Ij 43 305B 4 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.3 -0.949 10.4-173.6-120.7 141.4 48.7 49.6 58.2 52 57 A V E - j 0 306B 8 253,-2.5 255,-2.9 -2,-0.4 2,-0.4 -0.878 16.1-136.7-130.0 163.5 45.1 48.3 58.2 53 58 A D - 0 0 66 -12,-0.5 -12,-0.1 -2,-0.3 3,-0.1 -0.985 6.9-167.5-126.1 129.0 42.4 47.8 60.9 54 59 A T > - 0 0 0 -2,-0.4 3,-1.9 1,-0.3 147,-0.3 0.141 33.6-139.2-100.0 19.8 40.1 44.7 61.2 55 60 A G T 3 S- 0 0 9 1,-0.3 -1,-0.3 146,-0.1 -17,-0.0 -0.397 72.7 -13.2 63.7-128.2 37.7 46.3 63.6 56 61 A I T 3 S+ 0 0 142 -2,-0.2 2,-1.9 1,-0.1 -1,-0.3 0.475 111.5 99.4 -86.0 -3.1 36.5 43.9 66.4 57 62 A F < + 0 0 35 -3,-1.9 -1,-0.1 1,-0.2 -3,-0.1 -0.536 41.5 146.3 -86.8 72.9 38.0 40.9 64.5 58 63 A T + 0 0 35 -2,-1.9 2,-0.2 144,-0.1 -1,-0.2 0.646 61.9 0.0 -82.8 -22.3 41.1 40.9 66.6 59 64 A G S S- 0 0 24 -3,-0.3 143,-0.2 1,-0.1 146,-0.1 -0.827 93.7 -49.4-153.1-172.1 41.8 37.1 66.6 60 65 A R - 0 0 97 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.261 39.0-139.1 -67.1 159.6 40.6 33.7 65.5 61 66 A S > + 0 0 27 1,-0.1 3,-1.7 -4,-0.1 125,-0.1 -0.728 25.8 171.1-122.6 77.3 37.0 32.6 65.9 62 67 A P G > S+ 0 0 43 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.827 77.7 61.7 -56.1 -33.8 37.1 28.9 67.0 63 68 A K G 3 S+ 0 0 133 1,-0.3 118,-0.3 -3,-0.1 119,-0.1 0.692 103.8 49.1 -68.7 -17.2 33.4 29.0 67.7 64 69 A D G < S+ 0 0 11 -3,-1.7 122,-2.4 117,-0.1 2,-0.6 0.193 85.5 112.6-106.5 15.6 32.7 29.8 64.0 65 70 A K E < +b 186 0A 20 -3,-1.4 25,-0.9 120,-0.2 2,-0.3 -0.802 39.7 168.6 -95.7 122.3 34.9 27.0 62.6 66 71 A Y E -bc 187 90A 12 120,-2.2 122,-2.0 -2,-0.6 2,-0.4 -0.953 21.3-160.0-134.0 150.4 33.2 24.1 60.8 67 72 A I E -bc 188 91A 0 23,-2.4 25,-1.7 -2,-0.3 2,-0.2 -0.995 32.0-112.2-128.6 132.9 34.2 21.2 58.6 68 73 A V E - c 0 92A 1 120,-2.6 2,-0.7 -2,-0.4 122,-0.3 -0.479 26.2-140.9 -66.4 125.6 31.8 19.4 56.3 69 74 A R + 0 0 51 23,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.830 47.3 126.6 -91.0 117.0 31.2 15.8 57.5 70 75 A D S > S- 0 0 20 -2,-0.7 4,-3.1 23,-0.1 5,-0.2 -0.783 76.2 -61.5-149.3-166.3 31.0 13.5 54.5 71 76 A D T 4 S+ 0 0 149 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.782 130.4 51.3 -58.6 -29.8 32.4 10.3 53.0 72 77 A T T 4 S+ 0 0 60 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.945 125.1 20.5 -73.8 -48.2 35.8 12.0 53.0 73 78 A T T >> S+ 0 0 0 -5,-0.2 4,-2.6 1,-0.1 3,-0.9 0.660 95.1 94.8 -97.7 -20.0 36.0 13.2 56.6 74 79 A R T 3< S+ 0 0 112 -4,-3.1 5,-0.2 1,-0.3 -3,-0.1 0.855 102.6 22.1 -39.8 -55.3 33.5 11.0 58.5 75 80 A D T 34 S+ 0 0 152 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.451 127.0 48.8 -97.7 -2.1 35.9 8.4 59.6 76 81 A T T <4 S+ 0 0 54 -3,-0.9 329,-0.3 -4,-0.1 -2,-0.2 0.751 87.5 87.5-108.1 -30.8 39.2 10.4 59.4 77 82 A F S < S- 0 0 13 -4,-2.6 2,-1.5 327,-0.1 327,-0.2 -0.346 77.5-121.5 -74.8 151.3 38.6 13.7 61.2 78 83 A W - 0 0 28 325,-2.4 11,-0.3 -2,-0.1 -1,-0.1 -0.716 44.3-156.7 -90.4 84.4 39.0 14.3 64.9 79 84 A W - 0 0 9 -2,-1.5 3,-0.4 -5,-0.2 6,-0.2 -0.311 23.0-135.2 -68.0 148.1 35.4 15.4 65.5 80 85 A A S S+ 0 0 31 9,-2.1 6,-0.5 1,-0.2 7,-0.2 0.592 104.2 40.0 -77.5 -8.3 34.3 17.6 68.3 81 86 A D S S+ 0 0 76 8,-0.3 2,-0.3 4,-0.2 -1,-0.2 0.396 99.3 79.0-122.1 -0.3 31.3 15.3 69.0 82 87 A K S > S- 0 0 108 -3,-0.4 3,-2.8 0, 0.0 2,-0.6 -0.766 100.1 -14.0-110.1 159.1 32.5 11.7 68.6 83 88 A G T 3 S- 0 0 83 -2,-0.3 -3,-0.0 1,-0.3 -5,-0.0 -0.375 135.4 -24.3 56.8-102.8 34.5 9.5 70.9 84 89 A K T 3 S- 0 0 110 -2,-0.6 -1,-0.3 1,-0.2 -4,-0.1 0.333 80.5-165.3-120.9 1.6 35.7 12.1 73.5 85 90 A G < + 0 0 6 -3,-2.8 -1,-0.2 -6,-0.2 -4,-0.2 -0.248 23.3 160.5 52.0-121.2 35.6 15.2 71.3 86 91 A K + 0 0 106 -6,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.929 49.6 79.2 70.4 50.5 37.6 18.0 73.1 87 92 A N S S- 0 0 32 -7,-0.2 -1,-0.2 313,-0.0 313,-0.1 -0.985 84.4-104.3-169.7 174.3 38.2 20.2 70.1 88 93 A D S S+ 0 0 54 -2,-0.3 2,-2.3 1,-0.1 -23,-0.1 0.282 74.6 118.0 -94.6 9.3 36.8 22.9 67.7 89 94 A N + 0 0 2 -11,-0.3 -9,-2.1 313,-0.1 -8,-0.3 -0.425 44.5 178.9 -77.9 69.7 36.2 20.5 64.7 90 95 A K E -c 66 0A 52 -2,-2.3 -23,-2.4 -25,-0.9 -2,-0.1 -0.572 26.4-121.0 -75.3 128.5 32.5 21.0 64.6 91 96 A P E -c 67 0A 39 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.333 24.3-160.4 -70.9 150.4 30.7 19.1 61.8 92 97 A L E -c 68 0A 8 -25,-1.7 -23,-2.6 96,-0.1 -26,-0.0 -0.974 19.2-117.5-131.5 144.3 28.7 20.8 59.1 93 98 A S > - 0 0 36 -2,-0.4 4,-2.0 -25,-0.2 3,-0.1 -0.562 21.7-124.2 -80.7 147.0 26.1 19.3 56.8 94 99 A P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.852 110.6 56.6 -59.7 -33.7 26.7 19.3 53.0 95 100 A E H > S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 -3,-0.0 0.931 107.0 46.6 -66.1 -42.5 23.5 21.2 52.4 96 101 A T H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.877 107.3 60.2 -67.5 -32.8 24.4 24.1 54.7 97 102 A W H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.938 102.0 51.2 -57.8 -48.9 27.8 24.1 53.0 98 103 A Q H X S+ 0 0 93 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.817 110.3 51.0 -59.9 -30.2 26.2 24.9 49.7 99 104 A H H X S+ 0 0 42 -4,-1.2 4,-1.8 -3,-0.2 -1,-0.2 0.918 112.5 43.8 -71.8 -45.8 24.3 27.7 51.3 100 105 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.911 114.3 50.9 -65.0 -41.4 27.5 29.3 52.9 101 106 A K H X S+ 0 0 27 -4,-3.2 4,-2.7 -5,-0.2 5,-0.2 0.919 108.3 52.9 -62.4 -41.6 29.3 28.8 49.6 102 107 A G H X S+ 0 0 8 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.875 104.9 54.7 -62.3 -38.9 26.5 30.5 47.7 103 108 A L H X S+ 0 0 27 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.921 112.3 43.7 -61.8 -42.3 26.7 33.5 50.0 104 109 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.949 113.9 47.9 -70.5 -47.3 30.4 34.0 49.3 105 110 A T H X S+ 0 0 10 -4,-2.7 4,-0.6 1,-0.2 -92,-0.4 0.892 113.4 48.9 -63.2 -35.4 30.2 33.4 45.5 106 111 A R H >< S+ 0 0 156 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.916 109.8 52.5 -69.4 -38.2 27.3 35.8 45.3 107 112 A Q H 3< S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.852 112.7 45.1 -63.2 -36.1 29.2 38.4 47.3 108 113 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.1 -1,-0.3 0.510 91.9 105.5 -86.9 -5.8 32.1 38.1 45.0 109 114 A S T << S+ 0 0 26 -3,-0.8 -95,-0.2 -4,-0.6 -94,-0.1 -0.497 81.9 17.8 -76.8 144.6 30.0 38.2 41.8 110 115 A G T 3 S+ 0 0 21 -97,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.709 104.7 111.6 70.3 24.6 30.0 41.4 39.8 111 116 A K S < S- 0 0 57 -3,-0.9 -95,-1.1 -98,-0.3 -94,-0.8 -0.703 77.4-103.1-124.0 171.2 33.3 42.7 41.4 112 117 A R E -a 17 0A 94 -2,-0.2 2,-0.3 -96,-0.2 -94,-0.2 -0.853 50.8-155.4 -90.8 125.2 36.9 43.3 40.5 113 118 A L E -a 18 0A 0 -96,-2.8 -94,-2.6 -2,-0.6 2,-0.5 -0.842 18.2-144.4-113.5 149.7 38.7 40.4 42.0 114 119 A F E -aD 19 134A 7 20,-3.1 20,-2.3 -2,-0.3 2,-0.5 -0.931 19.3-169.2-106.9 125.3 42.2 39.7 43.3 115 120 A V E -aD 20 133A 0 -96,-2.1 -94,-2.8 -2,-0.5 2,-0.5 -0.979 3.8-174.2-120.5 123.8 43.5 36.2 42.6 116 121 A V E - D 0 132A 6 16,-2.5 16,-2.5 -2,-0.5 2,-0.4 -0.974 6.4-163.8-122.2 115.9 46.7 34.9 44.2 117 122 A D E + D 0 131A 0 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.851 27.9 150.9 -95.5 135.4 48.2 31.5 43.3 118 123 A A E - D 0 130A 2 12,-2.7 12,-2.9 -2,-0.4 2,-0.3 -0.915 39.2-109.6-153.8 176.5 50.8 30.3 45.8 119 124 A F E -ED 148 129A 8 29,-2.0 29,-2.2 -2,-0.3 2,-0.6 -0.871 10.0-154.9-117.8 148.9 52.4 27.3 47.4 120 125 A C E S+ D 0 128A 0 8,-2.3 8,-2.5 -2,-0.3 157,-0.2 -0.981 75.2 37.6-120.9 111.0 52.1 26.0 50.9 121 126 A G S S- 0 0 0 155,-1.8 155,-0.2 -2,-0.6 6,-0.1 0.166 72.2-130.5 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0 198 51,-0.0 2,-0.2 1,-0.0 -2,-0.1 -0.480 69.5-152.2 -67.8 125.5 66.9 32.5 92.5 437 449 A R - 0 0 145 -2,-0.3 2,-0.3 1,-0.1 -6,-0.1 -0.526 31.2 -82.0 -94.4 168.5 65.3 31.9 89.1 438 450 A I - 0 0 35 -8,-0.4 2,-0.2 -2,-0.2 -1,-0.1 -0.510 50.2-131.9 -71.4 127.8 67.0 30.3 86.0 439 451 A S > - 0 0 44 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.572 13.8-121.1 -85.6 150.8 69.0 33.0 84.1 440 452 A A H > S+ 0 0 78 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.856 116.5 57.5 -53.3 -36.1 68.9 33.6 80.4 441 453 A A H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.917 107.5 45.4 -62.0 -45.6 72.6 32.9 80.4 442 454 A D H > S+ 0 0 40 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.928 111.3 53.6 -63.6 -44.9 72.1 29.5 81.9 443 455 A T H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.905 109.3 47.8 -56.5 -44.5 69.3 28.8 79.5 444 456 A R H X S+ 0 0 62 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.862 109.3 53.9 -65.5 -36.9 71.5 29.6 76.5 445 457 A A H X S+ 0 0 20 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.885 108.1 50.3 -64.7 -39.3 74.3 27.4 78.0 446 458 A I H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.951 110.9 48.1 -63.8 -47.5 71.8 24.5 78.2 447 459 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.917 110.8 51.6 -60.1 -44.4 70.7 25.0 74.5 448 460 A D H X S+ 0 0 77 -4,-2.5 4,-2.5 1,-0.2 6,-0.3 0.913 107.9 52.0 -59.2 -43.2 74.4 25.1 73.4 449 461 A A H <>S+ 0 0 2 -4,-2.2 6,-1.2 2,-0.2 5,-0.8 0.845 112.9 45.8 -61.8 -36.8 75.1 21.9 75.2 450 462 A I H ><5S+ 0 0 0 -4,-1.8 3,-2.0 4,-0.2 -2,-0.2 0.985 113.9 47.1 -68.1 -57.5 72.2 20.3 73.4 451 463 A L H 3<5S+ 0 0 22 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.802 108.9 53.5 -56.3 -36.1 73.1 21.6 70.0 452 464 A N T 3<5S- 0 0 101 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.455 113.6-114.0 -82.0 -0.2 76.8 20.7 70.2 453 465 A G T X 5S+ 0 0 25 -3,-2.0 3,-0.8 -4,-0.2 4,-0.5 0.406 77.4 128.0 85.6 0.5 76.0 17.1 71.0 454 466 A S G > S+ 0 0 5 -6,-1.2 3,-1.1 1,-0.2 -1,-0.2 0.643 90.7 89.9 -77.7 -11.6 74.3 15.7 76.3 456 468 A D G < S+ 0 0 38 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 105.9 14.9 -53.4 -44.5 73.8 13.0 73.7 457 469 A N G < S+ 0 0 161 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.013 97.3 136.0-121.8 28.0 76.0 10.4 75.4 458 470 A A < - 0 0 26 -3,-1.1 2,-0.2 1,-0.1 -3,-0.1 -0.355 60.8-106.4 -77.6 153.5 76.3 11.9 78.8 459 471 A E - 0 0 132 -2,-0.1 13,-2.6 14,-0.1 14,-0.3 -0.567 47.8-177.2 -75.9 144.1 75.9 10.1 82.1 460 472 A T E -W 471 0D 25 11,-0.3 2,-0.3 -2,-0.2 9,-0.1 -0.841 24.6-140.4-138.7 172.9 72.6 10.9 83.8 461 473 A F E -W 470 0D 65 9,-2.1 9,-3.0 -2,-0.3 2,-0.3 -0.971 30.6-112.8-134.7 145.7 70.6 10.2 86.9 462 474 A T E -W 469 0D 83 -2,-0.3 7,-0.2 7,-0.2 5,-0.0 -0.623 15.5-134.8 -87.7 141.9 66.8 9.7 87.0 463 475 A L E >> -W 468 0D 0 5,-2.3 4,-1.7 -2,-0.3 5,-0.6 -0.804 35.7-108.6 -91.7 128.5 64.2 12.0 88.6 464 476 A P T 45S+ 0 0 53 0, 0.0 2,-2.5 0, 0.0 4,-0.2 -0.122 90.0 3.4 -56.8 150.8 61.6 10.1 90.7 465 477 A M T 45S+ 0 0 38 1,-0.2 60,-2.5 2,-0.1 -2,-0.0 -0.281 132.2 51.2 71.3 -56.1 58.0 9.7 89.5 466 478 A F T 45S- 0 0 2 -2,-2.5 -1,-0.2 58,-0.2 60,-0.1 0.685 94.9-145.8 -82.3 -20.3 58.5 11.4 86.2 467 479 A N T <5 + 0 0 83 -4,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.826 34.7 166.5 57.7 39.9 61.5 9.2 85.4 468 480 A L E < - W 0 463D 0 -5,-0.6 -5,-2.3 -4,-0.2 2,-0.7 -0.653 36.8-126.5 -88.9 138.0 63.4 11.9 83.5 469 481 A A E -VW 368 462D 19 -101,-0.7 -101,-2.4 -2,-0.3 -7,-0.2 -0.765 27.5-167.7 -86.5 115.4 67.1 11.4 82.7 470 482 A I E - W 0 461D 0 -9,-3.0 -9,-2.1 -2,-0.7 -103,-0.1 -0.886 24.9-113.1-107.1 130.6 69.1 14.4 84.0 471 483 A P E - W 0 460D 4 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.352 19.5-131.6 -61.6 138.1 72.7 15.0 82.9 472 484 A T S S- 0 0 47 -13,-2.6 2,-0.3 1,-0.2 -12,-0.1 0.834 84.4 -1.4 -58.9 -37.7 75.2 14.6 85.7 473 485 A E - 0 0 136 -14,-0.3 -1,-0.2 9,-0.1 5,-0.1 -0.989 60.6-154.4-155.1 151.0 77.0 17.9 84.8 474 486 A L > - 0 0 5 3,-0.5 3,-2.0 -2,-0.3 2,-0.1 -0.982 28.1-115.1-135.3 122.6 76.8 20.6 82.2 475 487 A P T 3 S+ 0 0 90 0, 0.0 -26,-0.1 0, 0.0 3,-0.1 -0.308 102.3 15.6 -57.2 123.2 79.7 22.9 81.1 476 488 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -2,-0.1 -31,-0.1 0.495 111.1 97.2 90.2 6.1 79.0 26.5 82.0 477 489 A V S < S- 0 0 14 -3,-2.0 2,-0.7 -32,-0.1 -3,-0.5 -0.981 81.5-109.5-133.8 140.2 76.3 25.6 84.4 478 490 A D > - 0 0 109 -2,-0.4 3,-1.7 1,-0.2 4,-0.5 -0.544 24.1-143.7 -67.0 109.4 76.2 25.1 88.2 479 491 A T G > S+ 0 0 79 -2,-0.7 3,-1.2 1,-0.3 4,-0.5 0.771 95.8 71.3 -44.7 -28.9 75.7 21.4 88.7 480 492 A G G > S+ 0 0 27 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.929 91.9 53.4 -57.0 -46.7 73.6 22.4 91.7 481 493 A I G < S+ 0 0 46 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.569 88.7 79.9 -68.1 -11.4 70.7 23.7 89.6 482 494 A L G < S+ 0 0 2 -3,-1.2 -116,-0.3 -4,-0.5 -1,-0.2 0.807 83.7 66.0 -67.7 -29.3 70.4 20.5 87.5 483 495 A D S X S- 0 0 22 -3,-1.2 3,-1.1 -4,-0.5 4,-0.2 -0.847 71.3-156.7 -97.5 116.0 68.4 18.7 90.3 484 496 A P G > S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.753 91.0 66.1 -61.5 -23.8 65.0 20.4 90.8 485 497 A R G > S+ 0 0 88 1,-0.3 3,-2.5 2,-0.2 7,-0.1 0.864 86.0 70.9 -67.2 -32.1 64.9 19.1 94.3 486 498 A N G < S+ 0 0 105 -3,-1.1 -1,-0.3 1,-0.3 -5,-0.1 0.564 85.4 67.8 -62.0 -10.7 67.8 21.3 95.3 487 499 A T G < 0 0 88 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.609 360.0 360.0 -84.9 -12.2 65.6 24.3 95.1 488 500 A Y < 0 0 115 -3,-2.5 -2,-0.2 -4,-0.2 -3,-0.1 0.761 360.0 360.0-110.8 360.0 63.6 23.1 98.1 489 ! 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 0.0 490 501 A A > 0 0 88 0, 0.0 2,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0-169.7 58.1 16.0 101.3 491 502 A G T 3> + 0 0 31 1,-0.3 4,-1.2 2,-0.1 5,-0.1 -0.680 360.0 19.6 81.8-100.2 58.8 19.5 99.8 492 506 A W H 3> S+ 0 0 11 -2,-1.1 4,-3.2 1,-0.2 3,-0.4 0.927 125.1 59.7 -66.5 -44.8 59.5 18.8 96.1 493 507 A Q H <> S+ 0 0 107 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.875 102.0 52.1 -50.1 -46.0 57.7 15.4 96.5 494 508 A E H > S+ 0 0 120 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.898 114.0 42.7 -62.3 -38.2 54.5 17.1 97.5 495 509 A K H X S+ 0 0 71 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.915 110.8 56.3 -74.0 -41.0 54.6 19.4 94.5 496 510 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.829 105.1 52.3 -59.8 -36.0 55.6 16.5 92.2 497 511 A E H X S+ 0 0 104 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.896 108.4 51.3 -67.4 -40.3 52.5 14.5 93.2 498 512 A T H X S+ 0 0 64 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.937 114.9 41.2 -61.5 -49.3 50.3 17.5 92.4 499 513 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 111.5 55.3 -67.3 -42.4 51.7 17.9 88.9 500 514 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 106.9 52.0 -57.7 -40.6 51.9 14.2 88.2 501 515 A K H X S+ 0 0 110 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.868 107.8 52.3 -63.0 -39.0 48.1 14.0 89.0 502 516 A L H X S+ 0 0 46 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.933 110.3 47.1 -62.1 -49.2 47.5 16.8 86.5 503 517 A F H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.961 113.5 47.8 -56.8 -54.6 49.4 15.1 83.7 504 518 A I H X S+ 0 0 43 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.902 111.5 50.8 -53.1 -47.5 47.6 11.8 84.4 505 519 A D H < S+ 0 0 97 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.917 113.9 44.9 -57.9 -46.6 44.2 13.5 84.5 506 520 A N H >< S+ 0 0 10 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.920 108.0 56.0 -66.0 -44.7 44.9 15.2 81.2 507 521 A F H >< S+ 0 0 4 -4,-3.0 3,-2.6 1,-0.3 4,-0.5 0.727 83.7 82.3 -63.9 -23.4 46.3 12.2 79.3 508 522 A D G >< S+ 0 0 81 -4,-1.3 3,-1.0 -3,-0.3 4,-0.3 0.776 75.9 77.5 -54.0 -21.3 43.2 10.1 80.0 509 523 A K G < S+ 0 0 56 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.695 102.2 34.8 -61.0 -21.7 41.8 12.0 76.9 510 524 A Y G X S+ 0 0 5 -3,-2.6 3,-0.9 1,-0.1 7,-0.5 0.409 86.3 97.7-116.7 3.8 43.8 9.8 74.6 511 525 A T T < + 0 0 40 -3,-1.0 6,-0.2 -4,-0.5 -2,-0.1 0.637 69.1 75.3 -68.1 -14.6 43.8 6.4 76.4 512 526 A D T 3 S+ 0 0 89 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.899 86.1 71.4 -63.7 -40.3 40.9 5.2 74.2 513 527 A T S <> S- 0 0 27 -3,-0.9 4,-2.9 1,-0.1 5,-0.2 -0.453 90.9-122.4 -77.3 149.1 43.2 4.6 71.2 514 528 A P H > S+ 0 0 114 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.857 113.6 52.3 -58.2 -34.9 45.7 1.8 71.3 515 529 A A H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 -4,-0.1 0.974 112.1 41.1 -66.1 -57.6 48.5 4.4 70.9 516 530 A G H >> S+ 0 0 0 -6,-0.4 4,-0.9 1,-0.2 3,-0.6 0.943 114.4 55.2 -56.5 -45.9 47.5 6.7 73.7 517 531 A A H >< S+ 0 0 46 -4,-2.9 3,-1.1 -7,-0.5 4,-0.4 0.911 106.8 48.4 -52.9 -50.2 46.8 3.6 75.9 518 532 A A H >< S+ 0 0 75 -4,-2.2 3,-0.7 1,-0.2 -1,-0.3 0.804 105.3 62.2 -63.0 -28.2 50.3 2.2 75.4 519 533 A L H X< S+ 0 0 9 -4,-1.5 3,-2.8 -3,-0.6 4,-0.5 0.714 78.3 83.7 -72.8 -21.4 51.7 5.6 76.2 520 534 A V G X< S+ 0 0 70 -3,-1.1 3,-1.6 -4,-0.9 -1,-0.2 0.855 83.8 61.6 -51.7 -36.4 50.4 5.8 79.8 521 535 A A G < S+ 0 0 98 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.564 98.6 57.4 -67.8 -10.8 53.4 3.7 80.9 522 536 A A G < S+ 0 0 17 -3,-2.8 -1,-0.3 -150,-0.1 -2,-0.2 0.500 97.3 79.9 -96.5 -7.8 55.7 6.5 79.8 523 537 A G S < S- 0 0 5 -3,-1.6 -23,-0.1 -4,-0.5 -150,-0.0 -0.127 97.6 -49.7 -89.1-172.1 54.0 9.1 81.9 524 538 A P - 0 0 11 0, 0.0 2,-0.7 0, 0.0 -58,-0.2 -0.319 47.9-146.6 -60.7 136.7 54.3 10.1 85.6 525 539 A A 0 0 63 -60,-2.5 -58,-0.1 -3,-0.1 -25,-0.1 -0.926 360.0 360.0-110.6 107.6 54.0 7.2 88.1 526 540 A L 0 0 114 -2,-0.7 -29,-0.0 -26,-0.1 -61,-0.0 -0.846 360.0 360.0-118.9 360.0 52.3 8.2 91.3