==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-OCT-01 1K3D . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.M.SUDOM,L.PRASAD,H.GOLDIE,L.T.J.DELBAERE . 535 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 13.5 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 . 43 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 5 0 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 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 2 5 1 4 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 89 0, 0.0 2,-0.2 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 156.0 54.6 -17.5 22.3 2 7 A L - 0 0 27 113,-0.1 16,-0.1 16,-0.1 18,-0.1 -0.533 360.0-156.9-101.4 169.2 55.8 -17.5 18.8 3 8 A T >> - 0 0 68 -2,-0.2 3,-1.3 1,-0.0 4,-1.0 -0.973 36.1-106.2-142.1 152.9 59.1 -18.6 17.1 4 9 A P H 3> S+ 0 0 67 0, 0.0 4,-1.2 0, 0.0 11,-0.2 0.695 117.1 62.6 -53.5 -18.8 60.8 -17.7 13.8 5 10 A Q H 3> S+ 0 0 125 2,-0.2 4,-0.8 1,-0.2 7,-0.1 0.836 95.0 54.7 -77.0 -37.9 59.8 -21.1 12.6 6 11 A E H <4 S+ 0 0 81 -3,-1.3 4,-0.5 1,-0.2 3,-0.2 0.814 110.0 50.2 -66.1 -28.4 56.0 -20.6 12.8 7 12 A L H ><>S+ 0 0 0 -4,-1.0 5,-1.6 1,-0.2 3,-1.5 0.872 100.1 63.0 -75.7 -38.4 56.5 -17.6 10.6 8 13 A E H ><5S+ 0 0 93 -4,-1.2 3,-0.7 1,-0.3 -1,-0.2 0.754 94.2 63.4 -59.6 -22.0 58.6 -19.5 8.1 9 14 A A T 3<5S+ 0 0 85 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.831 98.9 53.7 -70.4 -32.3 55.5 -21.6 7.4 10 15 A Y T < 5S- 0 0 34 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.564 130.0 -97.8 -77.3 -10.6 53.7 -18.5 6.2 11 16 A G T < 5S+ 0 0 41 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.547 83.0 133.0 102.9 10.7 56.6 -17.9 3.8 12 17 A I < - 0 0 1 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.2 -0.842 33.7-172.9 -98.1 128.1 58.4 -15.3 5.9 13 18 A S + 0 0 53 -2,-0.5 97,-2.1 92,-0.4 -8,-0.0 -0.682 51.2 21.9-118.5 171.0 62.2 -15.9 6.3 14 19 A D - 0 0 129 95,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.791 69.7-170.6 42.6 45.9 65.2 -14.5 8.3 15 20 A V - 0 0 21 -3,-0.2 -1,-0.2 -11,-0.2 97,-0.2 -0.491 10.4-169.1 -69.6 116.6 63.1 -13.0 11.0 16 21 A H - 0 0 78 95,-1.4 2,-0.3 -2,-0.5 96,-0.2 0.952 66.2 -5.4 -72.2 -49.6 65.3 -10.9 13.2 17 22 A D E -a 112 0A 82 94,-0.8 96,-1.3 -13,-0.0 2,-0.5 -0.981 57.2-150.3-154.8 133.7 62.9 -10.2 16.1 18 23 A I E -a 113 0A 35 -2,-0.3 2,-0.9 94,-0.2 96,-0.2 -0.911 2.1-161.2-108.0 128.0 59.3 -11.0 17.0 19 24 A V E -a 114 0A 12 94,-2.8 96,-1.9 -2,-0.5 2,-0.5 -0.830 21.5-160.2-105.8 87.6 57.3 -8.7 19.3 20 25 A Y E -a 115 0A 59 -2,-0.9 96,-0.2 1,-0.2 94,-0.0 -0.622 62.2 -23.4 -79.2 124.0 54.5 -11.0 20.2 21 26 A N S S- 0 0 33 94,-3.4 -1,-0.2 -2,-0.5 95,-0.1 0.900 83.0-147.8 40.7 63.0 51.3 -9.4 21.6 22 27 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.197 9.1-121.8 -58.5 140.2 52.9 -6.2 22.7 23 28 A S > - 0 0 64 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.333 27.9-104.2 -75.2 167.5 51.4 -4.5 25.8 24 29 A Y H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.846 121.3 57.2 -60.7 -35.3 50.1 -0.9 25.6 25 30 A D H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 107.9 44.3 -62.9 -47.0 53.2 0.3 27.4 26 31 A L H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.921 112.8 51.8 -64.2 -45.7 55.6 -1.2 24.8 27 32 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.877 108.4 52.3 -57.7 -39.9 53.5 0.1 21.9 28 33 A Y H X S+ 0 0 63 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.888 112.9 44.2 -62.8 -42.3 53.6 3.6 23.5 29 34 A Q H < S+ 0 0 127 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.863 112.6 52.6 -69.9 -40.0 57.4 3.4 23.8 30 35 A E H < S+ 0 0 19 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.814 110.0 47.2 -65.0 -39.2 57.7 2.0 20.2 31 36 A E H < S+ 0 0 3 -4,-2.0 11,-1.6 1,-0.2 -1,-0.2 0.776 112.1 50.2 -76.0 -30.1 55.7 4.8 18.7 32 37 A L S < S+ 0 0 52 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.454 75.0 131.8 -88.6 -0.8 57.6 7.5 20.5 33 38 A D > - 0 0 61 -4,-0.4 3,-2.4 -3,-0.4 9,-0.1 -0.353 53.7-146.7 -55.0 110.6 61.0 6.1 19.5 34 39 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.586 92.9 67.0 -58.6 -12.0 62.7 9.3 18.3 35 40 A S T 3 S+ 0 0 89 2,-0.1 2,-0.1 0, 0.0 -2,-0.1 0.560 76.6 109.0 -87.3 -9.2 64.6 7.3 15.7 36 41 A L < - 0 0 33 -3,-2.4 2,-0.3 -6,-0.1 -5,-0.0 -0.422 49.6-170.2 -69.0 143.1 61.4 6.5 13.7 37 42 A T > + 0 0 114 -2,-0.1 3,-0.9 4,-0.0 2,-0.2 -0.940 41.8 4.6-136.0 152.7 61.0 8.3 10.4 38 43 A G G > S- 0 0 49 -2,-0.3 3,-0.9 1,-0.2 15,-0.1 -0.472 121.5 -17.0 80.8-145.5 58.2 8.6 7.8 39 44 A Y G 3 S+ 0 0 97 1,-0.2 14,-0.5 -2,-0.2 -1,-0.2 0.614 127.6 69.1 -75.0 -11.1 54.7 7.3 8.5 40 45 A E G < S+ 0 0 42 -3,-0.9 2,-0.3 12,-0.1 98,-0.2 0.768 80.2 101.9 -74.1 -27.1 55.9 5.0 11.3 41 46 A R < - 0 0 139 -3,-0.9 12,-0.3 -6,-0.1 2,-0.3 -0.405 54.8-166.1 -66.9 122.9 56.5 8.1 13.4 42 47 A G - 0 0 9 -11,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.740 6.3-149.1-108.4 155.3 54.0 9.0 16.1 43 48 A V E -I 51 0B 44 8,-1.9 8,-2.8 -2,-0.3 2,-0.5 -0.923 18.1-121.6-122.1 148.5 53.7 12.3 18.0 44 49 A L E -I 50 0B 82 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.808 26.3-153.0 -92.5 127.7 52.5 12.8 21.6 45 50 A T > - 0 0 4 4,-2.5 3,-2.4 -2,-0.5 270,-0.2 -0.598 30.0-107.1 -97.3 160.4 49.5 15.1 22.0 46 51 A N T 3 S+ 0 0 95 268,-1.7 269,-0.1 1,-0.3 -1,-0.1 0.729 117.5 64.5 -56.9 -23.1 48.6 17.1 25.1 47 52 A L T 3 S- 0 0 41 267,-0.3 254,-0.3 2,-0.2 -1,-0.3 0.478 118.0-110.4 -80.4 -1.8 45.7 14.7 25.8 48 53 A G S < S+ 0 0 24 -3,-2.4 254,-0.3 1,-0.3 2,-0.2 0.312 82.2 115.7 91.4 -10.4 48.2 11.9 26.3 49 54 A A - 0 0 0 252,-0.2 -4,-2.5 250,-0.2 -1,-0.3 -0.640 65.2-121.5 -93.3 150.9 47.3 10.0 23.1 50 55 A V E -Ij 44 304B 4 253,-0.9 255,-2.0 -2,-0.2 2,-0.4 -0.721 22.6-149.3 -89.8 142.7 49.8 9.4 20.3 51 56 A A E -Ij 43 305B 6 -8,-2.8 -8,-1.9 -2,-0.3 2,-0.2 -0.954 15.2-174.3-117.2 130.7 48.8 10.7 16.8 52 57 A V E - j 0 306B 9 253,-2.6 255,-2.6 -2,-0.4 2,-0.5 -0.690 21.8-129.1-118.5 172.8 49.9 9.1 13.6 53 58 A D - 0 0 58 -14,-0.5 3,-0.1 -12,-0.3 253,-0.1 -0.994 6.1-157.0-124.9 120.7 49.7 9.8 9.8 54 59 A T > - 0 0 0 -2,-0.5 3,-0.6 1,-0.3 147,-0.6 0.380 38.9-135.2 -79.3 3.5 48.4 7.0 7.6 55 60 A G T 3 - 0 0 0 1,-0.2 -1,-0.3 146,-0.1 145,-0.1 -0.583 63.5 -10.8 86.1-139.6 50.1 8.5 4.6 56 61 A I T 3 S+ 0 0 145 -2,-0.3 2,-0.7 1,-0.1 -1,-0.2 0.905 123.2 71.4 -66.3 -42.8 48.5 8.9 1.2 57 62 A F < + 0 0 40 -3,-0.6 145,-0.1 142,-0.2 -1,-0.1 -0.692 48.4 165.0 -84.7 112.2 45.6 6.7 2.1 58 63 A T S S+ 0 0 33 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 0.095 70.9 10.6-109.6 18.6 43.2 8.4 4.6 59 64 A G S S- 0 0 18 -5,-0.1 143,-0.2 265,-0.0 146,-0.1 -0.945 101.2 -50.1-174.3-178.6 40.3 6.0 4.0 60 65 A R - 0 0 96 -2,-0.3 -2,-0.1 144,-0.1 3,-0.1 -0.189 34.6-145.3 -69.5 162.1 39.6 2.7 2.3 61 66 A S > + 0 0 14 1,-0.1 3,-1.7 -4,-0.1 125,-0.1 -0.726 21.5 172.4-130.7 79.9 40.4 1.8 -1.3 62 67 A P G > S+ 0 0 41 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.772 75.2 67.4 -59.3 -28.8 37.6 -0.4 -2.6 63 68 A K G 3 S+ 0 0 130 1,-0.3 118,-0.3 -3,-0.1 119,-0.1 0.645 101.1 48.6 -68.9 -14.9 39.0 -0.3 -6.1 64 69 A D G < S+ 0 0 4 -3,-1.7 122,-2.3 117,-0.1 2,-0.4 0.271 85.0 113.7-108.2 10.1 42.0 -2.3 -4.9 65 70 A K E < +b 186 0A 19 -3,-1.5 25,-0.8 120,-0.2 2,-0.3 -0.706 40.5 171.5 -86.3 128.7 40.0 -5.0 -3.1 66 71 A Y E -bc 187 90A 15 120,-2.5 122,-1.6 -2,-0.4 2,-0.4 -0.986 21.0-159.3-138.8 147.5 40.2 -8.5 -4.6 67 72 A I E -bc 188 91A 1 23,-2.6 25,-1.6 -2,-0.3 2,-0.2 -0.997 31.1-113.9-128.2 129.0 39.0 -11.9 -3.6 68 73 A V E - c 0 92A 0 120,-3.0 2,-0.9 -2,-0.4 122,-0.3 -0.444 22.9-142.1 -66.0 123.3 40.6 -15.1 -5.1 69 74 A R + 0 0 70 23,-2.2 2,-0.2 -2,-0.2 -1,-0.1 -0.809 47.4 131.6 -89.3 104.2 38.2 -17.0 -7.2 70 75 A D S > S- 0 0 19 -2,-0.9 4,-2.1 23,-0.1 3,-0.1 -0.621 75.2 -69.1-133.2-164.7 38.9 -20.7 -6.6 71 76 A D T 4 S+ 0 0 135 -2,-0.2 4,-0.2 1,-0.2 -2,-0.0 0.666 128.7 52.4 -68.7 -15.6 36.9 -23.8 -5.7 72 77 A T T 4 S+ 0 0 70 2,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.839 122.2 24.8 -88.1 -35.6 36.0 -22.5 -2.2 73 78 A T T > S+ 0 0 0 -5,-0.2 4,-2.2 -3,-0.1 3,-0.5 0.587 96.1 90.7-106.8 -14.4 34.7 -19.1 -3.3 74 79 A R T < S+ 0 0 97 -4,-2.1 5,-0.2 1,-0.2 -3,-0.1 0.912 98.2 28.7 -49.6 -57.0 33.4 -19.5 -6.9 75 80 A D T 4 S+ 0 0 137 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.506 125.2 45.3 -87.1 -6.5 29.8 -20.6 -6.2 76 81 A T T 4 S+ 0 0 55 -3,-0.5 -2,-0.2 -4,-0.1 -1,-0.1 0.799 89.7 88.5-106.2 -36.2 29.3 -18.8 -2.9 77 82 A F S < S- 0 0 2 -4,-2.2 2,-1.4 334,-0.1 334,-0.2 -0.226 76.2-121.9 -69.5 151.5 30.7 -15.2 -3.4 78 83 A W - 0 0 16 332,-2.1 11,-0.3 4,-0.1 2,-0.1 -0.734 41.0-157.9 -92.1 83.6 28.8 -12.2 -4.7 79 84 A W >> - 0 0 0 -2,-1.4 3,-1.0 -5,-0.2 4,-0.9 -0.428 20.2-136.0 -70.1 138.7 31.2 -11.5 -7.6 80 85 A A T 34 S+ 0 0 23 9,-2.1 7,-0.2 1,-0.3 10,-0.1 0.670 108.2 41.0 -65.8 -20.1 31.4 -8.0 -9.1 81 86 A D T 34 S+ 0 0 98 8,-0.3 -1,-0.3 5,-0.1 3,-0.1 0.364 124.2 37.6-106.8 -2.9 31.4 -9.5 -12.6 82 87 A K T <4 S+ 0 0 119 -3,-1.0 -2,-0.2 1,-0.2 -4,-0.1 0.700 102.1 61.1-109.1 -77.1 28.8 -12.2 -11.9 83 88 A G S < S- 0 0 22 -4,-0.9 -1,-0.2 -6,-0.1 4,-0.1 -0.232 85.2-109.0 -63.8 139.5 26.0 -11.0 -9.6 84 89 A K S S+ 0 0 111 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.213 85.2 56.1 -60.5 153.7 23.8 -8.1 -10.5 85 90 A G S S- 0 0 22 -5,-0.1 2,-0.2 2,-0.0 434,-0.0 0.435 94.6 -85.5 88.2 128.5 24.3 -4.9 -8.6 86 91 A K + 0 0 174 2,-0.0 2,-0.3 -5,-0.0 -5,-0.1 -0.446 58.6 153.0 -70.3 134.5 27.7 -3.1 -8.3 87 92 A N - 0 0 9 -2,-0.2 320,-0.1 -7,-0.2 -2,-0.0 -0.917 49.8-117.3-151.0 172.9 30.1 -4.3 -5.7 88 93 A D S S+ 0 0 44 318,-0.3 2,-2.2 -2,-0.3 -9,-0.1 0.228 71.3 117.7-102.3 11.0 33.9 -4.4 -5.0 89 94 A N + 0 0 2 -11,-0.3 -9,-2.1 320,-0.1 -8,-0.3 -0.460 45.8 179.5 -79.8 70.5 34.3 -8.2 -4.9 90 95 A K E -c 66 0A 43 -2,-2.2 -23,-2.6 -25,-0.8 -2,-0.1 -0.565 29.0-114.8 -76.6 130.1 36.7 -8.4 -7.9 91 96 A P E -c 67 0A 43 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.335 29.8-164.6 -66.6 144.1 37.9 -11.8 -8.8 92 97 A L E -c 68 0A 6 -25,-1.6 -23,-2.2 96,-0.1 -26,-0.0 -0.991 19.7-119.7-131.1 135.7 41.6 -12.6 -8.4 93 98 A S > - 0 0 47 -2,-0.4 4,-1.8 -25,-0.2 5,-0.1 -0.386 19.7-125.3 -72.0 149.8 43.5 -15.5 -10.0 94 99 A P H > S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.841 113.1 54.0 -63.0 -30.0 45.3 -17.9 -7.6 95 100 A E H > S+ 0 0 135 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.883 108.0 45.9 -71.1 -42.7 48.5 -17.2 -9.6 96 101 A T H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.850 109.7 57.2 -69.7 -31.8 48.3 -13.4 -9.2 97 102 A W H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.920 104.6 50.9 -61.3 -46.5 47.5 -14.0 -5.5 98 103 A Q H X S+ 0 0 123 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.748 107.9 53.6 -61.9 -29.3 50.8 -15.9 -5.2 99 104 A H H X S+ 0 0 53 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.889 111.6 44.1 -71.9 -42.3 52.6 -13.0 -6.8 100 105 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.875 112.0 53.6 -68.9 -39.2 51.2 -10.6 -4.3 101 106 A K H X S+ 0 0 42 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.927 106.7 52.2 -61.5 -43.5 51.9 -13.0 -1.4 102 107 A G H X S+ 0 0 17 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.881 108.8 51.3 -58.8 -39.5 55.6 -13.2 -2.6 103 108 A L H X S+ 0 0 24 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.893 113.9 43.0 -65.1 -42.7 55.8 -9.4 -2.5 104 109 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.925 114.6 46.9 -72.6 -45.6 54.4 -9.2 1.0 105 110 A T H < S+ 0 0 16 -4,-2.9 -92,-0.4 1,-0.2 4,-0.4 0.828 112.3 50.4 -65.9 -33.4 56.4 -12.1 2.6 106 111 A R H < S+ 0 0 166 -4,-1.7 3,-0.2 -5,-0.3 -1,-0.2 0.808 109.8 53.1 -71.6 -31.8 59.7 -10.9 1.1 107 112 A Q H < S+ 0 0 46 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.842 112.1 42.9 -70.7 -35.8 58.8 -7.4 2.4 108 113 A L S >< S+ 0 0 0 -4,-1.7 3,-0.9 -5,-0.1 -1,-0.2 0.431 94.0 107.3 -91.5 -1.3 58.3 -8.8 6.0 109 114 A S T 3 S+ 0 0 19 -4,-0.4 -95,-0.2 -3,-0.2 -94,-0.1 -0.529 83.9 12.5 -78.8 141.5 61.4 -11.0 5.7 110 115 A G T 3 S+ 0 0 43 -97,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.673 105.5 115.4 68.0 15.7 64.5 -10.1 7.7 111 116 A K S < S- 0 0 72 -3,-0.9 -95,-1.4 -95,-0.0 2,-0.8 -0.590 78.1-107.1-109.1 172.1 62.5 -7.5 9.7 112 117 A R E -a 17 0A 100 -96,-0.2 -94,-0.2 -2,-0.2 2,-0.2 -0.921 49.7-154.8 -99.1 105.8 61.6 -7.2 13.3 113 118 A L E -a 18 0A 0 -96,-1.3 -94,-2.8 -2,-0.8 2,-0.5 -0.527 16.4-140.4 -90.6 154.4 57.9 -8.1 13.2 114 119 A F E -aD 19 134A 6 20,-3.3 20,-1.9 -96,-0.2 2,-0.5 -0.966 21.0-166.1-110.1 119.2 55.0 -7.3 15.4 115 120 A V E -aD 20 133A 0 -96,-1.9 -94,-3.4 -2,-0.5 2,-0.5 -0.948 6.5-176.5-115.0 117.9 52.6 -10.2 15.9 116 121 A V E - 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0 0 99 -2,-0.3 3,-0.9 1,-0.1 4,-0.6 -0.507 25.2-147.1 -63.7 120.9 10.6 20.5 18.4 486 491 A T G >4 S+ 0 0 74 -2,-0.3 3,-0.8 1,-0.2 4,-0.4 0.803 91.1 68.5 -60.2 -33.4 7.2 19.8 16.8 487 492 A K G >4 S+ 0 0 31 1,-0.2 3,-0.6 2,-0.1 6,-0.3 0.836 98.5 49.7 -58.1 -33.2 8.1 21.9 13.8 488 493 A I G <4 S+ 0 0 18 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.665 87.5 80.8 -83.2 -18.8 10.8 19.5 12.5 489 494 A L G << S+ 0 0 5 -3,-0.8 -123,-0.3 -4,-0.6 -1,-0.2 0.738 93.5 52.6 -59.3 -26.9 8.7 16.3 12.7 490 495 A D S X S- 0 0 20 -3,-0.6 3,-1.5 -4,-0.4 4,-0.4 -0.966 79.4-153.5-111.6 112.3 7.1 17.1 9.4 491 496 A P G > S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -51,-0.4 0.766 90.1 67.1 -57.4 -27.2 9.9 17.9 6.8 492 497 A R G > S+ 0 0 57 1,-0.2 3,-1.1 2,-0.2 9,-0.2 0.762 90.4 65.1 -65.9 -25.1 7.6 20.1 4.8 493 498 A N G < S+ 0 0 96 -3,-1.5 -1,-0.2 -6,-0.3 -5,-0.1 0.738 91.0 62.3 -69.5 -25.4 7.4 22.6 7.7 494 499 A T G < S+ 0 0 26 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.500 94.7 78.8 -81.3 -1.2 11.1 23.5 7.4 495 500 A Y S < S- 0 0 18 -3,-1.1 -54,-0.1 -4,-0.2 -55,-0.0 -0.780 87.7-122.8-106.7 149.8 10.5 24.8 3.9 496 501 A A S S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.908 103.3 12.6 -56.3 -37.7 9.1 28.2 3.0 497 502 A S S >> S- 0 0 42 1,-0.0 3,-1.8 -3,-0.0 4,-1.0 -0.987 72.4-127.8-140.6 143.2 6.4 26.3 1.1 498 503 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -5,-0.1 0.601 108.9 71.6 -64.0 -9.5 5.5 22.6 1.1 499 504 A E H 3> S+ 0 0 125 2,-0.2 4,-1.5 1,-0.2 -7,-0.0 0.736 91.9 54.1 -76.2 -27.3 5.9 23.0 -2.7 500 505 A Q H <> S+ 0 0 89 -3,-1.8 4,-1.4 2,-0.2 5,-0.2 0.930 109.9 47.1 -69.9 -45.0 9.6 23.2 -2.3 501 506 A W H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 -2,-0.2 0.903 107.9 57.7 -60.6 -43.9 9.7 20.0 -0.4 502 507 A Q H X S+ 0 0 61 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 101.9 53.9 -52.1 -50.3 7.4 18.4 -3.0 503 508 A E H X S+ 0 0 123 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.921 115.6 38.1 -53.0 -51.5 9.9 19.1 -5.9 504 509 A K H X S+ 0 0 73 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.809 110.0 60.9 -72.2 -34.3 12.8 17.4 -4.1 505 510 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.895 105.8 48.5 -61.3 -38.1 10.6 14.6 -2.7 506 511 A E H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.849 110.1 51.3 -68.9 -38.0 9.8 13.6 -6.3 507 512 A T H X S+ 0 0 68 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.917 113.6 44.2 -65.3 -43.0 13.5 13.7 -7.3 508 513 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.869 111.0 54.8 -70.5 -36.1 14.4 11.4 -4.3 509 514 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.889 107.4 49.4 -63.8 -42.3 11.4 9.1 -5.0 510 515 A K H X S+ 0 0 115 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.870 109.5 52.4 -64.1 -38.9 12.5 8.5 -8.6 511 516 A L H X S+ 0 0 52 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.899 111.2 47.2 -63.7 -41.1 16.1 7.8 -7.4 512 517 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.929 114.3 45.9 -65.1 -47.7 14.7 5.2 -5.0 513 518 A I H X S+ 0 0 64 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.914 114.4 48.5 -62.9 -42.0 12.4 3.6 -7.6 514 519 A D H >< S+ 0 0 116 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.929 113.7 47.4 -64.5 -43.7 15.2 3.6 -10.2 515 520 A N H >< S+ 0 0 19 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.904 106.1 55.8 -66.0 -45.1 17.7 2.0 -7.7 516 521 A F H >< S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.668 81.2 90.7 -65.6 -15.7 15.4 -0.7 -6.4 517 522 A D G X< S+ 0 0 94 -4,-0.8 3,-0.6 -3,-0.6 -1,-0.3 0.638 73.8 69.8 -57.2 -12.6 14.8 -2.1 -9.9 518 523 A K G < S+ 0 0 63 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.153 96.9 50.7 -92.1 19.0 17.8 -4.4 -9.4 519 524 A Y G X S+ 0 0 21 -3,-1.6 3,-0.8 6,-0.1 6,-0.4 0.275 82.0 92.5-129.2 -0.8 15.9 -6.5 -6.9 520 525 A T T < + 0 0 48 -3,-0.6 -2,-0.1 -4,-0.3 -3,-0.1 -0.028 58.5 92.7 -87.4 31.1 12.8 -7.0 -9.0 521 526 A D T 3 S+ 0 0 107 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.834 84.6 50.9 -87.1 -40.0 14.2 -10.3 -10.4 522 527 A T S <> S- 0 0 70 -3,-0.8 4,-2.0 1,-0.1 5,-0.2 -0.613 91.0-115.6 -98.0 156.8 12.5 -12.4 -7.7 523 528 A P H > S+ 0 0 117 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.802 115.2 60.4 -59.4 -27.7 8.8 -12.3 -6.6 524 529 A A H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.972 107.2 39.3 -64.0 -58.7 10.1 -11.1 -3.3 525 530 A G H 4 S+ 0 0 7 -6,-0.4 4,-0.4 1,-0.2 -5,-0.2 0.836 115.7 54.2 -61.8 -33.7 11.8 -7.9 -4.5 526 531 A A H < S+ 0 0 52 -4,-2.0 3,-0.3 -7,-0.2 -1,-0.2 0.793 108.2 49.9 -69.5 -30.5 8.9 -7.3 -6.9 527 532 A A H >< S+ 0 0 65 -4,-1.4 3,-1.1 -3,-0.4 -2,-0.2 0.836 103.6 59.2 -76.0 -34.5 6.4 -7.6 -4.0 528 533 A L G >X S+ 0 0 12 -4,-1.8 3,-1.8 1,-0.2 4,-0.5 0.588 81.8 85.4 -70.1 -14.4 8.4 -5.1 -1.9 529 534 A V G >4 S+ 0 0 70 -4,-0.4 3,-0.9 -3,-0.3 -1,-0.2 0.816 83.0 59.5 -57.8 -30.1 8.0 -2.4 -4.6 530 535 A A G <4 S+ 0 0 81 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.664 100.0 57.7 -72.6 -16.0 4.6 -1.6 -3.0 531 536 A A G <4 S+ 0 0 9 -3,-1.8 -1,-0.2 -159,-0.2 -2,-0.2 0.592 98.1 76.8 -87.8 -14.7 6.6 -0.8 0.2 532 537 A G S << S- 0 0 2 -3,-0.9 -60,-0.1 -4,-0.5 -23,-0.0 -0.331 97.6 -64.4 -89.8 177.1 8.7 1.9 -1.6 533 538 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -60,-0.2 -0.196 45.7-163.7 -62.8 148.3 7.8 5.4 -2.7 534 539 A K 0 0 124 -62,-1.9 -60,-0.1 -3,-0.1 -62,-0.1 -0.999 360.0 360.0-136.3 136.2 5.1 6.1 -5.3 535 540 A L 0 0 132 -2,-0.4 -63,-0.0 -26,-0.1 -29,-0.0 -0.551 360.0 360.0 -86.0 360.0 4.5 9.3 -7.3