==== 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 (TRANSPHOSPHORYLATING) 07-DEC-95 1AYL . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.W.TARI,U.PUGAZENTHI,H.GOLDIE,L.T.J.DELBAERE . 532 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 66.7 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 13.2 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 . 4 0.8 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 21.4 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 3 1 0 1 0 2 0 1 0 1 2 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 1 A M 0 0 77 0, 0.0 5,-0.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 82.4 58.8 -10.5 23.8 2 2 A R - 0 0 62 23,-0.1 24,-0.1 24,-0.1 3,-0.0 0.063 360.0 -63.8 47.2-152.2 56.4 -11.0 26.7 3 3 A V S > S- 0 0 77 1,-0.1 2,-1.9 154,-0.0 3,-1.3 0.156 95.8 -17.8-103.0-140.2 56.5 -14.1 28.9 4 4 A N T 3 S+ 0 0 98 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.512 120.4 68.9 -72.3 84.2 55.8 -17.8 28.1 5 5 A N T 3 + 0 0 24 -2,-1.9 -1,-0.2 -4,-0.3 -3,-0.1 0.273 67.2 130.7-172.5 -13.5 53.9 -17.2 24.8 6 6 A G < - 0 0 38 -3,-1.3 2,-0.3 -5,-0.3 -4,-0.1 0.202 51.4-115.4 -52.9 170.6 56.6 -15.9 22.4 7 7 A L - 0 0 21 113,-0.1 -1,-0.1 16,-0.0 18,-0.1 -0.855 17.0-131.8-113.4 148.4 57.3 -17.0 18.8 8 8 A T >> - 0 0 70 -2,-0.3 3,-1.5 1,-0.1 4,-1.0 -0.685 22.1-121.8 -95.8 149.3 60.5 -18.6 17.4 9 9 A P H 3> S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 11,-0.1 0.751 113.2 65.0 -60.1 -23.2 62.2 -17.3 14.2 10 10 A Q H 3> S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.777 97.7 54.4 -69.9 -27.2 61.6 -20.8 12.8 11 11 A E H <4 S+ 0 0 77 -3,-1.5 3,-0.4 2,-0.2 4,-0.4 0.856 107.9 47.3 -75.0 -37.0 57.9 -20.2 13.0 12 12 A L H >X>S+ 0 0 1 -4,-1.0 5,-2.1 1,-0.2 3,-1.0 0.783 103.0 64.7 -73.0 -28.2 58.0 -17.0 10.9 13 13 A E H 3<5S+ 0 0 128 -4,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.776 93.6 61.7 -65.0 -26.2 60.3 -18.9 8.4 14 14 A A T 3<5S+ 0 0 85 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.723 100.6 52.4 -71.8 -24.5 57.3 -21.1 7.7 15 15 A Y T <45S- 0 0 36 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.601 129.7 -98.8 -84.2 -15.0 55.3 -18.0 6.5 16 16 A G T <5S+ 0 0 35 -4,-0.5 2,-0.5 -3,-0.5 -3,-0.2 0.519 81.3 134.2 107.7 11.7 58.2 -17.3 4.2 17 17 A I < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.833 33.3-170.8 -98.6 127.5 59.9 -14.6 6.4 18 18 A S + 0 0 49 -2,-0.5 97,-2.3 92,-0.4 98,-0.3 -0.742 50.1 16.8-119.2 163.8 63.7 -14.9 6.8 19 19 A D + 0 0 143 -2,-0.2 2,-0.7 95,-0.2 -1,-0.2 0.746 64.5 167.3 51.6 35.3 66.6 -13.4 8.8 20 20 A V + 0 0 15 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.698 7.2 172.9 -81.3 113.5 64.5 -11.9 11.6 21 21 A H + 0 0 164 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.780 65.3 41.5 -90.6 -32.3 66.9 -10.9 14.4 22 22 A D - 0 0 85 94,-0.4 96,-2.0 2,-0.0 2,-0.5 -0.973 65.9-175.1-124.5 120.4 64.6 -9.0 16.7 23 23 A I E -a 118 0A 33 -2,-0.5 2,-0.7 94,-0.2 96,-0.2 -0.959 10.6-165.5-119.1 127.0 61.1 -10.1 17.4 24 24 A V E -a 119 0A 21 94,-3.0 96,-2.4 -2,-0.5 2,-0.4 -0.864 16.8-173.4-110.7 94.1 58.5 -8.2 19.5 25 25 A Y E -a 120 0A 4 -2,-0.7 96,-0.2 1,-0.2 -23,-0.1 -0.744 64.4 -6.2 -93.1 135.4 55.7 -10.6 20.4 26 26 A N S S- 0 0 40 94,-2.6 -1,-0.2 -2,-0.4 95,-0.1 0.938 84.8-149.8 49.7 60.4 52.6 -9.3 22.2 27 27 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.318 7.0-127.7 -62.7 138.3 53.8 -5.7 22.7 28 28 A S > - 0 0 59 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.379 23.6-108.7 -80.0 165.1 52.5 -3.9 25.8 29 29 A Y H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.871 119.5 55.6 -62.9 -33.7 50.9 -0.5 25.6 30 30 A D H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 107.4 46.6 -65.7 -43.7 54.0 1.0 27.3 31 31 A L H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 110.9 52.9 -65.3 -42.7 56.5 -0.4 24.7 32 32 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.900 106.8 53.2 -58.1 -41.9 54.2 0.8 21.9 33 33 A Y H X S+ 0 0 55 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.895 111.6 45.5 -60.4 -42.4 54.3 4.3 23.5 34 34 A Q H < S+ 0 0 135 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.883 111.6 51.4 -68.5 -43.6 58.1 4.3 23.5 35 35 A E H >< S+ 0 0 45 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.913 112.1 46.0 -59.9 -46.9 58.4 2.9 20.0 36 36 A E H 3< S+ 0 0 3 -4,-2.3 11,-1.8 1,-0.2 -1,-0.2 0.808 113.3 50.1 -67.6 -32.6 56.1 5.6 18.5 37 37 A L T 3< S+ 0 0 47 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.400 73.7 135.6 -90.0 3.2 57.9 8.4 20.5 38 38 A D X - 0 0 62 -3,-0.9 3,-1.9 -4,-0.4 9,-0.1 -0.343 50.9-145.9 -55.1 114.0 61.4 7.5 19.4 39 39 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.560 94.0 60.7 -61.7 -10.1 63.0 10.9 18.5 40 40 A S T 3 S+ 0 0 90 2,-0.1 -2,-0.1 0, 0.0 2,-0.1 0.507 78.6 114.9 -96.4 -4.4 65.2 9.3 15.8 41 41 A L < - 0 0 31 -3,-1.9 2,-0.3 -6,-0.1 -5,-0.0 -0.353 48.0-162.5 -67.1 144.0 62.1 8.1 13.8 42 42 A T > - 0 0 109 -2,-0.1 3,-0.9 4,-0.0 4,-0.2 -0.904 44.0 -2.2-127.6 154.4 61.6 9.6 10.3 43 43 A G G > S- 0 0 44 -2,-0.3 3,-1.1 1,-0.2 17,-0.0 -0.282 118.6 -15.2 71.8-151.4 58.6 9.8 8.0 44 44 A Y G 3 S+ 0 0 101 1,-0.2 14,-0.3 13,-0.1 -1,-0.2 0.530 125.1 69.2 -68.1 -10.1 55.2 8.2 8.6 45 45 A E G < S+ 0 0 36 -3,-0.9 98,-0.2 12,-0.1 -1,-0.2 0.811 80.7 98.5 -76.9 -29.4 56.4 5.9 11.4 46 46 A R < - 0 0 143 -3,-1.1 12,-0.5 -4,-0.2 2,-0.3 -0.320 55.5-167.3 -65.3 132.7 56.9 9.0 13.7 47 47 A G - 0 0 9 -11,-1.8 2,-0.3 -9,-0.1 10,-0.2 -0.802 7.9-143.8-117.1 159.1 54.3 9.9 16.2 48 48 A V E -I 56 0B 58 8,-2.3 8,-2.7 -2,-0.3 2,-0.4 -0.933 16.3-120.6-124.2 150.3 53.8 13.1 18.3 49 49 A L E -I 55 0B 86 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.767 27.0-155.5 -93.1 129.7 52.6 13.6 21.8 50 50 A T > - 0 0 7 4,-1.7 3,-1.9 -2,-0.4 270,-0.2 -0.578 31.2-108.2 -99.1 166.0 49.5 15.7 22.4 51 51 A N T 3 S+ 0 0 93 268,-2.0 269,-0.1 1,-0.3 -1,-0.1 0.673 118.2 63.7 -66.0 -16.6 48.5 17.7 25.5 52 52 A L T 3 S- 0 0 41 267,-0.3 254,-0.3 2,-0.2 -1,-0.3 0.507 116.6-113.2 -84.3 -6.2 45.7 15.1 26.0 53 53 A G S < S+ 0 0 25 -3,-1.9 2,-0.3 1,-0.3 254,-0.3 0.346 80.2 117.6 91.8 -7.8 48.4 12.4 26.5 54 54 A A - 0 0 0 252,-0.2 -4,-1.7 250,-0.2 -1,-0.3 -0.722 64.1-122.5 -95.5 144.5 47.5 10.5 23.4 55 55 A V E -Ij 49 309B 3 253,-0.8 255,-2.1 -2,-0.3 2,-0.4 -0.616 22.1-150.4 -85.2 144.7 50.0 10.0 20.5 56 56 A A E +Ij 48 310B 8 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.3 -0.950 15.5 179.8-118.8 135.4 49.1 11.2 17.0 57 57 A V E - j 0 311B 2 253,-2.4 255,-2.4 -2,-0.4 2,-0.4 -0.888 24.8-129.3-130.9 159.5 50.3 9.7 13.8 58 58 A D - 0 0 66 -12,-0.5 3,-0.1 -2,-0.3 5,-0.1 -0.937 13.0-146.8-108.0 133.8 49.8 10.4 10.0 59 59 A T > - 0 0 0 -2,-0.4 3,-0.6 1,-0.3 147,-0.5 0.311 39.9-123.5 -84.2 8.7 48.8 7.4 7.9 60 60 A G T 3 - 0 0 2 1,-0.2 -1,-0.3 146,-0.1 145,-0.1 -0.556 64.4 -19.6 90.7-153.9 50.7 8.6 4.8 61 61 A I T 3 S+ 0 0 129 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.769 126.2 69.3 -66.1 -26.4 49.3 9.1 1.3 62 62 A F < + 0 0 37 -3,-0.6 144,-0.1 142,-0.1 -1,-0.1 -0.859 48.9 165.8 -99.5 120.8 46.3 7.0 2.1 63 63 A T S S+ 0 0 36 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.123 70.6 17.0-116.2 17.1 43.9 8.4 4.6 64 64 A G S S- 0 0 22 -5,-0.1 143,-0.2 143,-0.0 146,-0.1 -0.950 99.4 -56.9-169.6 177.0 41.1 6.0 3.9 65 65 A R - 0 0 104 -2,-0.3 -2,-0.1 144,-0.1 3,-0.1 -0.221 35.1-145.0 -67.5 159.7 40.4 2.6 2.3 66 66 A S > + 0 0 16 1,-0.1 3,-1.7 -4,-0.1 125,-0.1 -0.770 20.3 174.7-128.1 82.3 41.2 1.9 -1.3 67 67 A P G > S+ 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.751 76.1 67.6 -60.9 -24.6 38.5 -0.5 -2.7 68 68 A K G 3 S+ 0 0 140 1,-0.3 118,-0.3 -3,-0.1 119,-0.1 0.689 101.0 49.5 -70.1 -16.4 40.0 -0.3 -6.2 69 69 A D G < S+ 0 0 5 -3,-1.7 122,-2.5 117,-0.1 2,-0.5 0.263 85.7 113.3-105.4 10.8 43.0 -2.2 -4.9 70 70 A K E < +b 191 0A 16 -3,-1.4 25,-0.9 120,-0.2 2,-0.3 -0.727 40.5 173.1 -89.4 126.4 41.0 -5.0 -3.2 71 71 A Y E -bc 192 95A 13 120,-2.6 122,-1.7 -2,-0.5 2,-0.4 -0.977 20.5-158.7-136.3 147.3 41.3 -8.5 -4.6 72 72 A I E -bc 193 96A 0 23,-2.8 25,-1.7 -2,-0.3 2,-0.2 -0.993 30.3-116.2-125.4 128.4 40.1 -12.0 -3.6 73 73 A V E - c 0 97A 0 120,-2.7 2,-0.7 -2,-0.4 122,-0.3 -0.450 25.1-143.3 -66.1 124.2 41.8 -15.1 -4.9 74 74 A R + 0 0 68 23,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.855 44.2 131.4 -94.2 112.4 39.3 -17.1 -7.1 75 75 A D S > S- 0 0 27 -2,-0.7 4,-2.4 23,-0.1 3,-0.5 -0.745 74.2 -67.7-141.5-169.5 39.9 -20.8 -6.6 76 76 A D T 4 S+ 0 0 130 -2,-0.2 4,-0.1 1,-0.2 -2,-0.1 0.496 128.8 52.2 -68.9 -2.2 37.9 -24.0 -5.8 77 77 A T T 4 S+ 0 0 74 2,-0.1 -1,-0.2 3,-0.0 -3,-0.1 0.766 121.8 25.2-101.2 -31.8 37.0 -22.7 -2.4 78 78 A T T >> S+ 0 0 0 -3,-0.5 4,-2.2 -5,-0.1 3,-0.6 0.562 97.3 91.6-108.7 -14.6 35.7 -19.3 -3.3 79 79 A R T 3< S+ 0 0 117 -4,-2.4 5,-0.2 1,-0.2 -3,-0.1 0.909 94.5 30.2 -49.4 -60.6 34.5 -19.8 -6.9 80 80 A D T 34 S+ 0 0 144 1,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.462 125.9 43.1 -85.0 0.7 30.8 -20.8 -6.4 81 81 A T T <4 S+ 0 0 40 -3,-0.6 329,-0.2 -4,-0.0 -2,-0.2 0.729 87.5 91.2-117.3 -28.8 30.1 -18.9 -3.2 82 82 A F S < S- 0 0 12 -4,-2.2 2,-1.5 327,-0.1 327,-0.2 -0.404 75.6-122.0 -75.6 145.5 31.7 -15.4 -3.5 83 83 A W - 0 0 19 325,-2.3 11,-0.3 -2,-0.1 2,-0.1 -0.697 42.3-157.0 -85.8 86.1 29.7 -12.4 -4.8 84 84 A W >> - 0 0 8 -2,-1.5 4,-1.5 -5,-0.2 3,-1.2 -0.396 21.8-135.1 -72.3 145.4 32.2 -11.6 -7.6 85 85 A A T 34 S+ 0 0 39 9,-2.3 7,-0.2 1,-0.2 10,-0.1 0.751 104.3 47.6 -68.7 -25.5 32.5 -8.2 -9.3 86 86 A D T 34 S+ 0 0 82 8,-0.3 -1,-0.2 1,-0.1 5,-0.1 0.152 116.0 39.0-103.6 17.6 32.5 -9.7 -12.8 87 87 A K T <4 S+ 0 0 130 -3,-1.2 -2,-0.2 3,-0.2 -1,-0.1 0.663 96.1 67.0-133.9 -39.1 29.6 -12.1 -12.5 88 88 A G S < S- 0 0 50 -4,-1.5 4,-0.1 2,-0.2 3,-0.0 0.247 78.5-115.6 -72.5-161.6 26.6 -10.7 -10.6 89 89 A K S S+ 0 0 75 427,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.556 90.2 81.9-111.0 -20.6 24.3 -7.9 -11.5 90 90 A G S S- 0 0 15 1,-0.1 -2,-0.2 426,-0.0 -3,-0.2 -0.670 83.7-114.3 -92.9 142.9 25.3 -5.7 -8.5 91 91 A K + 0 0 193 -2,-0.3 2,-0.3 -5,-0.1 -2,-0.1 -0.479 48.9 150.4 -72.1 138.2 28.4 -3.5 -8.4 92 92 A N - 0 0 10 -2,-0.2 313,-0.1 -7,-0.2 312,-0.0 -0.972 52.4-120.1-160.4 170.2 31.0 -4.5 -5.8 93 93 A D S S+ 0 0 43 -2,-0.3 2,-2.3 311,-0.3 -23,-0.1 0.298 70.8 117.3-101.0 6.7 34.8 -4.5 -5.1 94 94 A N - 0 0 2 -11,-0.3 -9,-2.3 313,-0.1 -8,-0.3 -0.481 46.2-179.9 -77.1 73.8 35.3 -8.3 -4.9 95 95 A K E -c 71 0A 47 -2,-2.3 -23,-2.8 -25,-0.9 2,-0.1 -0.609 27.3-115.1 -80.0 131.9 37.7 -8.4 -7.9 96 96 A P E -c 72 0A 43 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.366 28.8-165.0 -69.3 143.1 39.0 -11.9 -8.8 97 97 A L E -c 73 0A 8 -25,-1.7 -23,-2.5 96,-0.1 -26,-0.0 -0.982 18.8-121.8-130.6 139.3 42.7 -12.8 -8.5 98 98 A S > - 0 0 46 -2,-0.4 4,-1.8 -25,-0.2 3,-0.2 -0.508 21.0-123.5 -79.0 148.7 44.6 -15.7 -9.9 99 99 A P H > S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.837 112.1 56.7 -59.0 -31.5 46.6 -18.1 -7.6 100 100 A E H > S+ 0 0 135 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.902 106.1 46.4 -67.9 -44.0 49.7 -17.3 -9.6 101 101 A T H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.846 108.2 58.5 -67.8 -33.4 49.5 -13.5 -9.0 102 102 A W H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.912 102.8 52.7 -60.5 -44.6 48.9 -14.1 -5.3 103 103 A Q H X S+ 0 0 133 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.855 108.1 51.9 -60.2 -34.7 52.2 -16.0 -5.1 104 104 A H H X S+ 0 0 53 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.915 111.2 46.2 -67.7 -44.5 53.9 -13.0 -6.6 105 105 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.843 108.7 55.6 -67.0 -35.7 52.4 -10.6 -4.1 106 106 A K H X S+ 0 0 44 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.850 105.6 53.1 -66.4 -33.1 53.2 -13.0 -1.2 107 107 A G H X S+ 0 0 17 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.853 106.3 52.7 -69.7 -35.6 56.8 -12.9 -2.3 108 108 A L H X S+ 0 0 18 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.921 114.4 41.2 -64.8 -46.7 56.9 -9.1 -2.2 109 109 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.923 114.0 49.8 -70.3 -46.1 55.5 -8.9 1.3 110 110 A T H X S+ 0 0 15 -4,-2.5 4,-0.8 1,-0.2 -92,-0.4 0.879 112.8 48.6 -62.6 -36.7 57.6 -11.7 2.8 111 111 A R H < S+ 0 0 158 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.885 108.8 53.3 -70.0 -37.3 60.8 -10.3 1.4 112 112 A 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20.9 447 454 A D H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.881 113.7 52.8 -65.2 -38.3 17.3 16.7 19.0 448 455 A T H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 107.9 49.7 -64.7 -43.1 18.6 13.5 17.5 449 456 A R H X S+ 0 0 59 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.860 109.0 53.7 -64.4 -34.4 19.5 12.0 20.9 450 457 A A H X S+ 0 0 20 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.887 108.1 49.9 -66.3 -38.8 16.0 13.0 22.1 451 458 A I H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.921 108.7 51.7 -65.3 -44.5 14.5 11.1 19.1 452 459 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 108.4 52.7 -59.8 -39.7 16.6 8.0 19.9 453 460 A D H X S+ 0 0 43 -4,-2.0 4,-2.6 1,-0.2 6,-0.3 0.882 106.0 52.6 -63.3 -40.7 15.4 8.1 23.5 454 461 A A H <>S+ 0 0 3 -4,-1.7 6,-1.8 2,-0.2 5,-1.0 0.814 109.8 50.2 -64.8 -32.1 11.7 8.2 22.4 455 462 A I H ><5S+ 0 0 0 -4,-1.5 3,-0.7 4,-0.2 -2,-0.2 0.953 114.4 42.8 -70.0 -50.7 12.3 5.1 20.3 456 463 A L H 3<5S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.856 113.7 49.0 -66.3 -40.4 13.9 3.2 23.2 457 464 A N T 3<5S- 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.500 114.8-112.0 -80.7 -3.1 11.5 4.1 26.0 458 465 A G T <>5S+ 0 0 13 -3,-0.7 4,-0.7 -4,-0.4 -3,-0.2 0.509 80.4 125.7 88.4 5.0 8.5 3.3 23.8 459 466 A S T >44 S+ 0 0 7 -6,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.811 105.4 56.6 -65.9 -32.0 7.2 6.4 19.6 461 468 A D G 34 S+ 0 0 52 -7,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.652 114.0 40.0 -75.2 -14.4 5.3 3.1 19.7 462 469 A N G << S+ 0 0 134 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.344 94.9 110.8-113.4 3.3 2.5 4.7 21.7 463 470 A A S < S- 0 0 20 -3,-0.5 2,-0.4 -4,-0.4 16,-0.1 -0.416 74.8-108.8 -81.4 154.2 2.4 8.0 19.7 464 471 A E - 0 0 108 14,-0.2 13,-2.6 -2,-0.1 14,-0.4 -0.682 46.1-170.5 -80.5 129.7 -0.4 9.1 17.3 465 472 A T E -W 476 0D 74 -2,-0.4 2,-0.3 11,-0.3 9,-0.1 -0.779 18.5-169.3-123.8 167.6 0.9 8.8 13.7 466 473 A F E -W 475 0D 68 9,-2.0 9,-2.6 -2,-0.3 2,-0.5 -0.901 34.0 -92.3-143.4 169.1 -0.1 9.8 10.2 467 474 A T E -W 474 0D 87 -2,-0.3 7,-0.2 7,-0.2 5,-0.0 -0.783 22.5-144.1 -97.7 128.3 1.2 9.0 6.7 468 475 A L E >> -W 473 0D 0 5,-2.4 4,-1.4 -2,-0.5 5,-0.7 -0.743 34.8-114.8 -84.3 125.7 3.7 11.0 4.8 469 476 A P T 45S+ 0 0 48 0, 0.0 2,-2.3 0, 0.0 4,-0.2 -0.140 87.3 13.1 -60.7 157.5 2.8 10.9 1.1 470 477 A M T 45S+ 0 0 21 1,-0.2 62,-2.2 62,-0.2 -2,-0.0 -0.377 132.0 45.2 75.6 -60.4 5.0 9.3 -1.6 471 478 A F T 45S- 0 0 2 -2,-2.3 -1,-0.2 60,-0.2 62,-0.1 0.669 95.8-144.8 -85.1 -16.6 7.3 7.4 0.9 472 479 A N T <5 + 0 0 80 -4,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.856 37.6 162.8 54.0 42.6 4.2 6.3 2.9 473 480 A L E < - W 0 468D 0 -5,-0.7 -5,-2.4 -4,-0.2 2,-0.6 -0.760 40.6-125.9 -96.0 133.6 6.1 6.5 6.2 474 481 A A E -VW 373 467D 28 -101,-0.7 -101,-1.6 -2,-0.4 -7,-0.2 -0.699 35.1-177.6 -79.3 116.6 4.2 6.6 9.5 475 482 A I E - W 0 466D 0 -9,-2.6 -9,-2.0 -2,-0.6 -103,-0.1 -0.940 25.3-110.9-120.7 141.6 5.3 9.7 11.4 476 483 A P E - W 0 465D 2 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.352 10.0-139.8 -69.3 146.5 4.3 10.9 14.9 477 484 A T S S- 0 0 53 -13,-2.6 2,-0.3 1,-0.3 -12,-0.1 0.802 87.0 -4.5 -73.9 -31.1 2.2 14.0 15.5 478 485 A E - 0 0 120 -14,-0.4 -1,-0.3 9,-0.1 -14,-0.2 -0.979 62.2-159.4-159.8 155.4 4.3 14.9 18.5 479 486 A L > - 0 0 8 3,-0.4 3,-2.0 -2,-0.3 8,-0.1 -0.986 32.3-101.9-146.1 131.5 7.2 13.5 20.6 480 487 A P T 3 S+ 0 0 90 0, 0.0 -26,-0.1 0, 0.0 3,-0.1 -0.221 104.9 6.5 -53.4 129.1 8.4 14.2 24.1 481 488 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -27,-0.0 -31,-0.1 0.427 110.3 102.9 77.7 -1.1 11.5 16.4 24.3 482 489 A V S < S- 0 0 15 -3,-2.0 2,-0.4 -32,-0.1 -3,-0.4 -0.876 80.1-105.6-117.0 147.8 11.4 17.1 20.6 483 490 A D >> - 0 0 95 -2,-0.3 3,-1.0 1,-0.1 4,-0.6 -0.582 23.9-146.0 -71.3 122.3 10.3 20.2 18.6 484 491 A T H >> S+ 0 0 77 -2,-0.4 3,-1.0 1,-0.2 4,-0.5 0.846 91.6 66.8 -57.7 -37.4 6.9 19.4 16.9 485 492 A K H 34 S+ 0 0 31 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.793 99.0 50.0 -56.7 -32.5 7.7 21.5 13.9 486 493 A I H <4 S+ 0 0 29 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.683 88.5 80.5 -83.0 -18.1 10.5 19.3 12.7 487 494 A L H << S+ 0 0 5 -3,-1.0 -116,-0.3 -4,-0.6 -1,-0.2 0.819 92.1 53.6 -58.1 -33.6 8.6 16.0 12.8 488 495 A D S >< S- 0 0 18 -4,-0.5 3,-1.3 -3,-0.4 4,-0.4 -0.927 78.6-151.8-105.9 114.9 6.9 16.8 9.5 489 496 A P G > S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 -51,-0.4 0.696 91.7 65.7 -58.2 -22.4 9.6 17.6 6.9 490 497 A R G > S+ 0 0 67 1,-0.2 3,-1.3 2,-0.1 9,-0.2 0.822 91.2 64.4 -70.9 -29.5 7.2 19.8 4.9 491 498 A N G < S+ 0 0 102 -3,-1.3 -1,-0.2 1,-0.2 -5,-0.1 0.704 90.9 64.7 -66.4 -22.8 7.0 22.3 7.8 492 499 A T G < S+ 0 0 31 -3,-0.7 -1,-0.2 -4,-0.4 2,-0.2 0.507 94.2 72.2 -81.0 -5.8 10.7 23.1 7.5 493 500 A Y S < S- 0 0 24 -3,-1.3 -54,-0.1 -4,-0.2 -55,-0.0 -0.672 90.1-116.6-105.5 162.8 10.2 24.7 4.0 494 501 A A S S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.0 0.875 104.5 13.4 -64.6 -34.8 8.5 28.0 3.1 495 502 A S S >> S- 0 0 51 1,-0.0 3,-1.8 -3,-0.0 4,-0.8 -0.997 72.7-126.8-143.3 142.0 5.9 25.9 1.3 496 503 A P H 3> S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 -5,-0.1 0.647 108.4 69.9 -62.2 -12.7 5.1 22.2 1.2 497 504 A E H 3> S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.771 90.9 58.8 -74.7 -27.2 5.5 22.4 -2.6 498 505 A Q H <> S+ 0 0 90 -3,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.917 107.6 45.7 -65.1 -44.5 9.2 22.9 -2.1 499 506 A W H X S+ 0 0 1 -4,-0.8 4,-2.8 1,-0.2 -2,-0.2 0.890 107.7 60.7 -63.9 -39.8 9.4 19.6 -0.3 500 507 A Q H X S+ 0 0 52 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.898 103.2 47.8 -54.1 -50.9 7.2 18.0 -3.1 501 508 A E H X S+ 0 0 138 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.922 116.5 42.8 -59.3 -47.3 9.6 18.7 -5.9 502 509 A K H X S+ 0 0 66 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.855 110.6 57.3 -68.5 -35.6 12.6 17.3 -4.0 503 510 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 106.3 49.1 -61.8 -43.9 10.6 14.4 -2.7 504 511 A E H X S+ 0 0 69 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.873 110.3 51.7 -63.6 -39.2 9.8 13.3 -6.3 505 512 A T H X S+ 0 0 75 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.941 114.1 42.0 -63.1 -48.4 13.4 13.6 -7.3 506 513 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.873 110.6 57.7 -66.8 -38.3 14.6 11.4 -4.4 507 514 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.908 105.7 49.8 -58.8 -43.9 11.7 8.9 -4.9 508 515 A K H X S+ 0 0 125 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.841 106.5 56.0 -64.7 -35.3 12.8 8.3 -8.5 509 516 A L H X S+ 0 0 54 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.886 108.7 47.4 -64.6 -39.7 16.4 7.7 -7.4 510 517 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.936 112.0 49.8 -66.0 -47.7 15.1 4.9 -5.0 511 518 A I H X S+ 0 0 76 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.900 112.0 47.1 -59.7 -43.9 12.9 3.3 -7.7 512 519 A D H >< S+ 0 0 124 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.908 113.5 48.3 -65.7 -43.0 15.8 3.2 -10.3 513 520 A N H >< S+ 0 0 24 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.890 108.6 52.9 -64.9 -41.4 18.3 1.8 -7.8 514 521 A F H >< S+ 0 0 4 -4,-2.5 3,-2.4 1,-0.2 4,-0.4 0.673 85.3 88.9 -70.3 -15.3 15.9 -0.9 -6.6 515 522 A D G X< S+ 0 0 100 -4,-0.8 3,-1.1 -3,-0.5 -1,-0.2 0.791 77.6 63.2 -53.6 -31.9 15.3 -2.1 -10.2 516 523 A K G < S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.3 3,-0.3 0.561 98.8 55.5 -73.1 -6.2 18.3 -4.5 -10.0 517 524 A Y G X S+ 0 0 18 -3,-2.4 3,-0.7 1,-0.1 6,-0.3 0.499 84.7 82.8-101.9 -5.7 16.6 -6.5 -7.2 518 525 A T T < + 0 0 52 -3,-1.1 6,-0.2 -4,-0.4 -1,-0.1 0.479 60.4 94.7 -78.4 -1.5 13.4 -7.2 -9.2 519 526 A D T 3 S+ 0 0 124 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.420 84.6 57.5 -70.4 3.8 14.9 -10.1 -11.0 520 527 A T S <> S- 0 0 49 -3,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.965 88.3-122.5-133.4 147.6 13.4 -12.3 -8.3 521 528 A P H > S+ 0 0 113 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.807 113.1 54.1 -59.4 -29.7 9.7 -12.7 -7.3 522 529 A A H > S+ 0 0 67 2,-0.2 4,-0.8 1,-0.2 3,-0.1 0.915 110.9 43.5 -70.9 -44.7 10.6 -11.7 -3.7 523 530 A G H > S+ 0 0 4 -6,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.795 110.0 57.6 -70.5 -29.3 12.3 -8.5 -4.8 524 531 A A H >< S+ 0 0 44 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.832 103.6 53.0 -69.2 -33.7 9.5 -7.8 -7.2 525 532 A A H >< S+ 0 0 61 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.748 101.5 61.7 -73.2 -24.5 7.0 -7.9 -4.3 526 533 A L H >X S+ 0 0 11 -4,-0.8 3,-1.8 1,-0.2 4,-0.7 0.693 82.0 78.1 -75.6 -21.1 9.0 -5.4 -2.3 527 534 A V G X< S+ 0 0 70 -4,-0.6 3,-0.8 -3,-0.5 -1,-0.2 0.820 86.4 62.3 -58.5 -29.7 8.7 -2.6 -4.9 528 535 A A G <4 S+ 0 0 89 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.749 99.6 56.2 -66.3 -23.5 5.2 -2.0 -3.5 529 536 A A G <4 S+ 0 0 15 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.693 97.5 79.0 -81.3 -21.6 6.9 -1.2 -0.2 530 537 A G S << S- 0 0 3 -3,-0.8 -23,-0.0 -4,-0.7 -60,-0.0 -0.035 98.1 -64.4 -77.5-175.8 9.0 1.6 -1.7 531 538 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -60,-0.2 -0.302 48.7-161.0 -68.8 155.7 8.0 5.2 -2.6 532 539 A K 0 0 58 -62,-2.2 -62,-0.2 -3,-0.1 -60,-0.1 -0.980 360.0 360.0-144.9 129.3 5.3 5.8 -5.3 533 540 A L 0 0 120 -2,-0.4 -63,-0.0 -29,-0.1 -29,-0.0 -0.349 360.0 360.0 -68.1 360.0 4.6 8.9 -7.4